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MARTIN DOVE: PUBLICATIONS
Journal papers
1. Structural phase transitions in malononitrile. MT Dove and
AIM Rae. Faraday Discussions 69, 98–106, 1980
2. The re-entrant phase transitions in malononitrile: specific
heat capacity. MT Dove, G Farally, AIM Rae and L Wright. Journal of
Physics C: Solid State Physics 16, L195–L198, 1983
3. A new theoretical model for the re-entrant phase transitions
in malononitrile. AIM Rae and MT Dove. Journal of Physics C: Solid
State Physics 16, 3233–3244, 1983
4. A neutron scattering study of phonons in per-deuterated
s-triazine. MT Dove, I Heilmann, J Kjems, J Kurittu and GS Pawley.
Physica Status Solidi (b) 120, 173–181, 1983
5. Raman scattering study of the phase transition in s-triazine.
PJS Ewen and MT Dove. Philosophical Magazine B47, 641–654, 1983
6. Molecular dynamics on a parallel computer. GS Pawley and MT
Dove. Helvetica Physica Acta 56, 583–592, 1983
7. The one-dimensional plastic phase of SF6: A simulation. GS
Pawley and MT Dove. Chemical Physics Letters 99, 45–48, 1983
8. A molecular dynamics simulation study of the plastic
crystalline phase of sulphur hexafluoride. MT Dove and GS Pawley.
Journal of Physics C: Solid State Physics 16, 5969–5983, 1983
9. A molecular dynamics simulation study of the orientationally
disordered phase of sulphur hexafluoride. MT Dove and GS Pawley.
Journal of Physics C: Solid State Physics 17, 6581–6599, 1984
10. A Raman scattering study of the pressure induced phase
transition in s-triazine. MT Dove and PJS Ewen. Journal of Chemical
Physics 82, 2026–2032, 1985
11. Molecular dynamics simulations on a parallel computer:
Plastic crystals and related systems. GS Pawley, AM Brass, MT Dove
and K Refson. Journal de Chimie Physic 82, 249–257, 1985
12. Quaternion-based reorientation conditions for molecular
dynamics analyses. GS Pawley and MT Dove. Molecular Physics 55,
1147–1157, 1985
13. SHAMGAR'S OXGOAD: A new approach to the problem of
resolution corrections for triple-axis neutron inelastic scattering
data using parallel processors. PW Mitchell and MT Dove. Journal of
Applied Crystallography 18, 493–498, 1985
14. Collective excitations in an orientationally frustrated
solid: neutron scattering and computer simulation studies of SF6.
MT Dove, GS Pawley, G Dolling and BM Powell. Molecular Physics 57,
865–880, 1986
15. Dynamics of orientationally disordered crystals. MT Dove, D
Fincham and RE Hubbard. Journal of Molecular Graphics 4, 79,
1986
16. A simulation study of the disordered phase of CBr4 I: Single
particle properties. MT Dove. Journal of Physics C: Solid State
Physics, 19, 3325–3341, 1986
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Martin Dove: publications
17. A simulation study of the disordered phase of CBr4 II:
Collective properties and rotation-translation coupling. MT Dove
and RM Lynden-Bell. Journal of Physics C: Solid State Physics, 19,
3343–3363, 1986
18. A model of the paraelectric phase of thiourea. MT Dove and
RM Lynden-Bell. Philosophical Magazine B54, 443–463, 1986
19. Orientational ordering phase transition and the low
temperature structure of SF6. BM Powell, MT Dove, GS Pawley and L
Bartell. Molecular Physics 62, 1127–1141, 1987
20. The elastic constants of the disordered phase of SF6: a
computer simulation calculation. MT Dove. Chemical Physics Letters
150, 303–306, 1988
21. Monoclinic phase of SF6 and the orientational ordering
transition. MT Dove, BM Powell, GS Pawley and L S Bartell.
Molecular Physics 65, 353–358, 1988
22. Inelastic neutron scattering determination of phonon
dispersion curves in the molecular crystal sym-C6F3Cl3. MT Dove, BM
Powell, GS Pawley, SL Chaplot and A Mierzejewski. Journal of
Chemical Physics 90, 1918–1923, 1989
23. Neutron diffraction study of the tricritical orientational
order/disorder phase transition in calcite at 1260 K. MT Dove and
BM Powell. Physics and Chemistry of Minerals 16, 503–507, 1989
24. On the computer modelling of diopside: towards a
transferable potential for silicate minerals. MT Dove. American
Mineralogist 74, 774–779, 1989
25. What does the Landau free energy really look like for
structural phase transitions?. AP Giddy, MT Dove and V Heine.
Journal of Physics: Condensed Matter 1, 8327–8335, 1989
26. The non-analytic nature of Landau free energies. AP Giddy,
MT Dove and V Heine. Ferroelectrics 104, 331–335, 1990
27. Bifurcation behaviour in structural phase transitions with
double well potentials. BHN Normand, AP Giddy, MT Dove and V Heine.
Journal of Physics: Condensed Matter 2, 3737–3746, 1990
28. Spontaneous strain energies associated with orientational
order–disorder phase transitions. MT Dove. Molecular Physics 70,
425–431, 1990
29. Phonon stabilised polytypism in PbI2: In situ raman
spectroscopy and transferable core–shell model calculations. B
Winkler, MT Dove, EKH Salje, M Leslie and B Palosz. Journal of
Physics: Condensed Matter 3, 539–550, 1991
30. Static lattice energy minimization and lattice dynamics
calculations on minerals using three-body potentials. B Winkler, MT
Dove and M Leslie. American Mineralogist 76, 313–331, 1991
31. Rigid unit modes in the molecular dynamics simulation of
quartz and the incommensurate phase transition. FS Tautz, V Heine,
MT Dove and X Chen. Physics and Chemistry of Minerals 18, 326–336,
1991
32. On the displacive character of the phase transition in
quartz: A hard mode spectroscopy study. EKH Salje, A Ridgwell, B
Guttler B Wruck, MT Dove and G Dolino. Journal of Physics:
Condensed Matter 4, 571–577, 1992
33. Anomalous inelastic neutron scattering from calcite. MT
Dove, ME Hagen, MJ Harris, BM Powell, U Steigenberger and B
Winkler. Journal of Physics: Condensed Matter 4, 2761–2774,
1992
34. Orientational order–disorder phase transition in calcite. M
Hagen, MT Dove, MJ Harris, U Steigenberger and BM Powell. Physica B
180–181, 276–278, 1992
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35. A new interatomic potential model for calcite. MT Dove, B
Winkler, M Leslie, MJ Harris and E Salje. American Mineralogist 77,
244–250, 1992
36. Thermodynamic properties of MgSiO3 perovskite derived from
large scale molecular dynamics simulations. B Winkler and MT Dove.
Physics and Chemistry of Minerals 18, 407–415, 1992
37. Landau free energy and order parameter behaviour of the α–β
phase transition in cristobalite. WW Schmahl, IP Swainson, MT Dove
and A Graeme-Barber. Zeitschrift fur Kristallographie 201, 125–145,
1992
38. Landau theory revisited. V Heine, X Chen, S Dattagupta, MT
Dove, A Evans, AP Giddy, S Marais, S Padlewski, E Salje and FS
Tautz. Ferroelectrics 128, 255–264, 1992
39. On the application of mean-field and Landau theory to
displacive phase transitions. MT Dove, AP Giddy and V Heine.
Ferroelectrics 136, 33–49, 1992
40. Neutron powder diffraction study of the Åkermanite–Gehlenite
solid solution series. IP Swainson, MT Dove, WW Schmahl and A
Putnis. Physics and Chemistry of Minerals 19, 185–195, 1992
41. On the role of Al/Si ordering in the cubic–tetragonal phase
transition in leucite. MT Dove, T Cool, DC Palmer, A Putnis, EKH
Salje and B Winkler. American Mineralogist 78, 486–492, 1993
42. Low-frequency floppy modes in β-cristobalite. IP Swainson
and MT Dove. Physical Review Letters 71, 193–196, 1993
43. Observation of lattice melting at the ferroelastic phase
transition in Na2CO3. MJ Harris, RA Cowley, IP Swainson and MT
Dove. Physical Review Letters 71, 2939–2942, 1993
44. Comment on “First-Principles Studies on Structural
Properties of β-cristobalite”. IP Swainson and MT Dove. Physical
Review Letters 71, 3610, 1993
45. Rigid unit mode model of displacive phase transitions in
framework silicates. MT Dove, AP Giddy and V Heine. Transactions of
the American Crystallographic Association 27, 65–74, 1993
46. The determination of rigid unit modes as potential soft
modes for displacive phase transitions in framework crystal
structures. AP Giddy, MT Dove, GS Pawley and V Heine. Acta
Crystallographica A49, 697–703, 1993
47. A computer simulation study of Al/Si ordering in gehlenite
and the paradox of the low transition temperature. S Thayaparam, MT
Dove and V Heine. Physics and Chemistry of Minerals 21, 110–116,
1994
48. The Ginzburg interval in soft mode phase transitions:
Consequences of the Rigid Unit Mode picture. P Sollich, V Heine and
MT Dove. Journal of Physics: Condensed Matter 6, 3171–3196,
1994
49. CRUSH: A FORTRAN program for the analysis of the rigid unit
mode spectrum of a framework structure. KD Hammonds, MT Dove, AP
Giddy and V Heine. American Mineralogist 79, 1207–1209, 1994
50. Crystalline potassium perrhenate: A study using molecular
dynamics and lattice dynamics. RJC Brown, RM Lynden-Bell, IR
McDonald and MT Dove. Journal of Physics: Condensed Matter 6,
9895–9902, 1994
51. Quasielastic incoherent neutron scattering study of the
rotational dynamics of the water molecules in analcime. CMB Line, B
Winkler and MT Dove. Physics and Chemistry of Minerals 21, 451–459,
1994
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52. On the thermal expansion of β-cristobalite. IP Swainson and
MT Dove. Physics and Chemistry of Minerals 22, 61–65, 1995
53. Molecular dynamics simulation of α- and β-cristobalite. IP
Swainson and MT Dove. Journal of Physics: Condensed Matter 7,
1771–1788, 1995
54. Rigid unit modes in framework silicates. MT Dove, V Heine
and KD Hammonds. Mineralogical Magazine 59, 629–639, 1995
55. Observation of lattice melting in a single crystal: The
ferroelastic phase transition in Na2CO3. MJ Harris, MT Dove and KW
Godfrey. Physical Review B51, 6758–6760, 1995
56. Lattice Melting at Structural Phase Transitions. MJ Harris
and MT Dove. Modern Physics Letters B9, 67–85, 1995
57. Neutron powder diffraction study of the ferroelastic phase
transition in sodium carbonate. IP Swainson, MT Dove and MJ Harris.
Journal of Physics: Condensed Matter 7, 4395–4417, 1995
58. The use of Monte Carlo methods to determine the distribution
of Al and Si cations in framework aluminosilicates from 29Si
MAS-NMR data. MT Dove and V Heine. American Mineralogist 81, 39–44,
1996
59. The phenomenon of low Al/Si ordering temperatures in
aluminosilicate framework structures. MT Dove, S Thayaparam, V
Heine and KD Hammonds. American Mineralogist 81, 349–362 1996
60. A computational study of Al/Si ordering in cordierite. S
Thayaparam, V Heine, MT Dove and KD Hammonds. Physics and Chemistry
of Minerals 23, 127–139, 1996
61. The low-temperature behaviour of analcime, I:
High-resolution neutron powder diffraction. CMB Line, MT Dove, KS
Knight and B Winkler. Mineralogical Magazine 60, 499–507, 1996
62. Experimental evidence for the existence of rigid unit modes
in the high-temperature phase of SiO2 tridymite from electron
diffraction. MT Dove, KD Hammonds, V Heine, R L Withers and RJ
Kirkpatrick. Physics and Chemistry of Minerals 23, 55–61, 1996
63. Rigid unit phonon modes and structural phase transitions in
framework silicates. KD Hammonds, MT Dove, AP Giddy, V Heine and B
Winkler. American Mineralogist 81, 1057–1079, 1996
64. Distortions of framework structures. MT Dove, M Gambhir, KD
Hammonds, V Heine and AKA Pryde. Phase Transitions 58, 121–143,
1996
65. Origin of the negative thermal expansion in ZrW2O8 and
ZrV2O7. AKA Pryde, KD Hammonds, MT Dove, V Heine, JD Gale and MC
Warren. Journal of Physics: Condensed Matter 8, 10973–10982,
1996
66. A single crystal neutron scattering study of lattice melting
in ferroelastic Na2CO3. MJ Harris, MT Dove and KW Godfrey. Journal
of Physics: Condensed Matter 8, 7073–7084, 1996
67. Lattice simulation studies of the ferroelastic phase
transitions in (Na,K)AlSi3O8 and (Sr,Ca)Al2Si2O8 feldspar solid
solutions. MT Dove and SAT Redfern. American Mineralogist 82, 8–15,
1997
68. Structural behavior, crystal chemistry and phase transitions
in substituted leucites. DC Palmer, MT Dove, RM Ibberson and BM
Powell. American Mineralogist 82, 16–30, 1997
69. Approaches to modelling the behaviour of ceramics and
minerals. MT Dove. Phase Transitions 61, 1–17, 1997
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70. A one-parameter model of a rigid-unit structure. M Gambhir,
V Heine and MT Dove. Phase Transitions 61, 125–139, 1997
71. Rigid units and the negative thermal expansion in ZrW2O8.
AKA Pryde, KD Hammonds, MT Dove, V Heine, JD Gale and MC Warren.
Phase Transitions 61, 141–153, 1997
72. Insights into zeolite behaviour from the rigid unit mode
model. KD Hammonds, V Heine and MT Dove. Phase Transitions 61,
155–172, 1997
73. Static lattice simulation of feldspar solid solutions:
ferroelastic instabilities and order/disorder. SAT Redfern, MT Dove
and DRR Wood. Phase Transitions 61, 173–194, 1997
74. Theory of displacive phase transitions in minerals. MT Dove.
American Mineralogist 82, 213–244, 1997
75. Floppy modes in crystalline and amorphous silicates. MT
Dove, MJ Harris, AC Hannon, JM Parker, IP Swainson and M Gambhir.
Physical Review Letters 78, 1070–1073, 1997
76. How floppy modes give rise to adsorption sites in zeolites.
KD Hammonds, H Deng, V Heine and MT Dove. Physical Review Letters
78, 3701–3704, 1997
77. The use of 29Si MAS-NMR in the study of Al/Si ordering in
silicates. MT Dove. Geoderma 80, 353–368, 1997
78. Computational studies of Si/Al ordering in aluminosilicate
framework structures. V Heine, MT Dove, A De Vita, J Ortega and E
Myers. Phase Transitions 61, 51–66, 1997
79. Direct measurement of the Si–O bond length and orientational
disorder in b-cristobalite. MT Dove, DA Keen, AC Hannon and IP
Swainson. Physics and Chemistry of Minerals 24, 311–317, 1997
80. A neutron diffraction study of the order–disorder phase
transition in sodium nitrate. SJ Payne, MJ Harris, ME Hagen and MT
Dove. Journal of Physics: Condensed Matter 9, 2423–2432, 1997
81. Crystal structure and paramagnetic behaviour of ε-WO3–x. EKH
Salje, S Rehmann, F Pobell, D Morris, KS Knight, T Herrmannsdorfer
and M T Dove. Journal of Physics: Condensed Matter 9, 6563–6577,
1997
82. The phase transitions in calcite and sodium nitrate. IP
Swainson, MT Dove and MJ Harris. Physica B 241, 397–399, 1998
83. Calibration of excess thermodynamic properties and elastic
constant variations due to the α–β phase transition in quartz. MA
Carpenter, EKH Salje, A Graeme-Barber, B Wruck, MT Dove and KS
Knight. American Mineralogist 83, 2–22, 1998
84. Rigid Unit Modes and the quantitative determination of the
flexibility possessed by zeolite frameworks. KD Hammonds, V Heine
and MT Dove. Journal of Physical Chemistry B 102, 1759–1767,
1998
85. Rigid Unit Modes in crystal structures with
octahedrally-coordinated atoms. KD Hammonds, A Bosenick, MT Dove
and V Heine. American Mineralogist 83, 476–479, 1998
86. Anomalous dynamical effects in calcite, CaCO3. MJ Harris, MT
Dove, IP Swainson and ME Hagen. Journal of Physics: Condensed
Matter 10, L423–429, 1998
87. Inelastic neutron scattering, phonon softening, and the
phase transition in sodium nitrate, NaNO3. MJ Harris, ME Hagen, MT
Dove and IP Swainson. Journal of Physics: Condensed Matter 10,
6851–6861, 1998
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88. Thermodynamics of Al/Al avoidance in the ordering of Al/Si
tetrahedral framework structures. ER Myers, V Heine and MT Dove.
Physics and Chemistry of Minerals 25, 457–464, 1998
89. Simulation studies of ZrW2O8 at high pressure. AKA Pryde, MT
Dove and V Heine. Journal of Physics: Condensed Matter 10,
8417–8428, 1998
90. Low-energy dynamics and tetrahedral reorientations in silica
glass. K Trachenko, MT Dove, KD Hammonds, MJ Harris and V Heine.
Physical Review Letters 81, 3431–3434, 1998
91. Negative thermal expansion in β-quartz. PRL Welche, V Heine
and MT Dove. Physics and Chemistry of Minerals 26, 63–77, 1998
92. On the sequence of phase transitions in tridymite. AKA Pryde
and MT Dove. Physics and Chemistry of Minerals 26, 171–179,
1998
93. Fluctuations and some strain related interaction mechanisms
in structural phase transitions. EKH Salje, MT Dove, I Tsatskis, K
Locherer and J Crosch. Phase Transitions 67, 539–569, 1999
94. In situ neutron diffraction study of non-convergent ordering
in the spinel solid solution (Fe3O4)1–x(MgAl2O4)x: kinetics and
equilibrium ordering. RJ Harrison, MT Dove, KS Knight and A Putnis.
American Mineralogist 84, 555–563, 1999
95. On the wavevector dependence of the Boson peak in silicate
glasses and crystals. MJ Harris, SM Bennington, MT Dove and JM
Parker. Physica B 263, 357–360, 1999
96. Anatomy of a structural phase transition: Theoretical
analysis of the displacive phase transition in quartz and other
silicates. MT Dove, M Gambhir and V Heine. Physics and Chemistry of
Minerals 26, 344–353, 1999
97. Rigid Unit Modes and dynamic disorder: SiO2 cristobalite and
quartz. M Gambhir, MT Dove and V Heine. Physics and Chemistry of
Minerals 26, 484–495, 1999
98. Geometric origin and theory of negative thermal expansion in
framework structures. V Heine, PRL Welche and MT Dove. Journal of
the American Ceramic Society 82, 1793–1802, 1999
99. Effect of surface relaxations on the equilibrium growth
morphology of crystals: platelet formation. WT Lee, EKH Salje, MT
Dove. Journal of Physics: Condensed Matter 11, 7385–7410, 1999
100. Comparing the local structures of amorphous and crystalline
polymorphs of silica. DA Keen and MT Dove. Journal of Physics:
Condensed Matter 11, 9263–9273, 1999
101. Ab initio simulations of cation ordering in oxides:
application to spinel. MC Warren, MT Dove and SAT Redfern. Journal
of Physics: Condensed Matter 12, L43–L48, 2000
102. Rigid Unit Modes in disordered nepheline: a study of a
displacive incommensurate phase transition. SA Hayward, AKA Pryde,
RF de Dombal, MA Carpenter and MT Dove. Physics and Chemistry of
Minerals 27, 285–290, 2000
103. Phase transitions in tridymite studied using “Rigid Unit
Mode” theory, Reverse Monte Carlo methods and molecular dynamics
simulations. MT Dove, AKA Pryde and DA Keen. Mineralogical Magazine
64, 267–283, 2000
104. Disordering of MgAl2O4 spinel from first principles. MC
Warren, MT Dove and SAT Redfern. Mineralogical Magazine 64,
311–317, 2000
105. Modelling the percolation type transition in radiation
damage. K Trachenko, MT Dove and E Salje. Journal of Applied
Physics 87, 7702–7707, 2000
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106. Crystal structure of the high-pressure monoclinic phase-II
of cristobalite, SiO2. MT Dove, MS Craig, DA Keen, WG Marshall, SAT
Redfern, KO Trachenko, MG Tucker. Mineralogical Magazine 64,
569–576, 2000
107. Structure and glasses of silicate glasses and melts. I
Farnan and MT Dove. Mineralogical Magazine 64, 373–376, 2000
108. Floppy modes and the Boson peak in crystalline and
amorphous silicates: an inelastic neutron scattering study. MJ
Harris, MT Dove and JM Parker. Mineralogical Magazine 64, 435–440,
2000
109. Total scattering studies of silica polymorphs: similarities
in glass and disordered crystalline local structure. DA Keen and MT
Dove. Mineralogical Magazine 64, 447–457, 2000
110. Amorphous silica from the Rigid Unit Mode approach. MT
Dove, KD Hammonds, MJ Harris, V Heine, DA Keen, AKA Pryde, K
Trachenko and MC Warren. Mineralogical Magazine 64, 377–388,
2000
111. Simulation studies of pyrope–grossular solid solutions. A
Bosenick, MT Dove and CA Geiger. Physics and Chemistry of Minerals
27, 398–418, 2000
112. Modelling in relation to cation ordering. MT Dove, A
Bosenick, ER Myers, MC Warren, and SAT Redfern. Phase Transitions
71, 205–226, 2000
113. Direct measurement of the thermal expansion of the Si–O
bond by neutron total scattering. MG Tucker, MT Dove and DA Keen.
Journal of Physics: Condensed Matter 12, L425–L430, 2000
114. Dynamics of silica glass: Two-level tunneling states and
low-energy floppy modes. KO Trachenko, MT Dove, MJ Harris and V
Heine. Journal of Physics: Condensed Matter 12, 8041–8064, 2000
115. Rigid Unit Modes in framework structures: theory,
experiment and applications. MT Dove, KO Trachenko, MG Tucker and
DA Keen. Reviews in Mineralogy and Geochemistry 39, 1–33, 2000
116. Simultaneous analyses of changes in long-range and
short-range structural order at the displacive phase transition in
quartz. MG Tucker, MT Dove and DA Keen. Journal of Physics:
Condensed Matter 12, L723–L730, 2000
117. Surface relaxations in hydroxyapatite. WT Lee, MT Dove and
E K H Salje. Journal of Physics: Condensed Matter 12, 9829–9842,
2000
118. The inherent displacive flexibility of the hexacelsian
tetrahedral framework and its relationship to polymorphism in
Ba-hexacelsian. RL Withers, Y Tabira, A Valgoma, M Aroyo and MT
Dove. Physics and Chemistry of Minerals 27, 747–766, 2000
119. Dynamic structural disorder in cristobalite: Neutron total
scattering measurement and Reverse Monte Carlo modelling. MG
Tucker, MD Squires, MT Dove and DA Keen. Journal of Physics:
Condensed Matter 13, 403–423, 2001
120. Atomistic modelling of radiation damage in zircon. KO
Trachenko, MT Dove and EKH Salje. Journal of Physics: Condensed
Matter 13, 1947–1959, 2001
121. Computational methods for the study of energies of cation
distributions: applications to cation-ordering phase transitions
and solid solutions. A Bosenick, MT Dove, ER Myers, EJ Palin, CI
Sainz-Diaz, B Guiton, MC Warren, MS Craig and SAT Redfern.
Mineralogical Magazine 65, 193–219, 2001
122. Monte Carlo methods for the study of cation ordering in
minerals. MC Warren, MT Dove, ER Myers, A Bosenick, EJ Palin, CI
Sainz-Diaz, B Guiton and SAT Redfern. Mineralogical Magazine 65,
221–248, 2001
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123. Modelling of dioctahedral 2:1 phyllosilicates by means of
transferable empirical potential. CI Sainz-Diaz, A Hernandez-Laguna
and MT Dove. Physics and Chemistry of Minerals 28, 130–141,
2001
124. Displacive components of the phase transitions in
lawsonite. H-W Myer, S Marion, P Sondergeld, MA Carpenter, KS
Knight, SAT Redfern and MT Dove. American Mineralogist 86, 566–577,
2001
125. Scaling of thermodynamic mixing properties in garnet solid
solution minerals. A Bosenick, MT Dove, V Heine and CA Geiger.
Physics and Chemistry of Minerals 28, 177–187, 2001
126. A detailed structural characterisation of quartz on heating
through the α–β phase transition. MG Tucker, DA Keen and MT Dove.
Mineralogical Magazine 65, 489–507, 2001
127. Theoretical modelling of cis-vacant and trans-vacant
configurations in the octahedral sheet of illites and smectites. CI
Sainz-Diaz, A Hernandez-Laguna and MT Dove. Physics and Chemistry
of Minerals 28, 322–331, 2001
128. Computational study of tetrahedral Al-Si ordering in
muscovite. EJ Palin, MT Dove, SAT Redfern, A Bosenick, CI
Sainz-Diaz and MC Warren. Physics and Chemistry of Minerals 28,
534–544, 2001
129. Application of the Reverse Monte Carlo method to
crystalline materials. MG Tucker, MT Dove and DA Keen. Journal of
Applied Crystallography, 34, 630–638, 2001
130. Anisotropic ionic transport in quartz: the effect of twin
boundaries. M Calleja, MT Dove and EKH Salje. Journal of Physics:
Condensed Matter, 13, 9445–9454, 2001
131. MCGRtof: Monte Carlo G(r) with resolution corrections for
time-of-flight neutron diffractometers. MG Tucker, MT Dove and DA
Keen. Journal of Applied Crystallography 34, 780–782, 2001
132. Neutron diffraction at simultaneous high temperatures and
pressures, with measurement of temperature by neutron radiography.
Y Le Godec, MT Dove, DJ Francis, SC Kohn, WG Marshall, AR Pawley,
GD Price, SAT Redfern, N Rhodes, NL Ross, PF Schofield, E
Schooneveld, G Syfosse, MG Tucker, MD Welch. Mineralogical
Magazine, 65, 737–748, 2001
133. A new high P-T cell for neutron diffraction up to 7 GPa and
2000 K with measurement of temperature by neutron radiography. Y Le
Godec, MT Dove, SAT Redfern, MG Tucker, WG Marshall, G Syfosse, and
J-M Besson. High Pressure Research 21, 263–280, 2001
134. Floppy modes in silica glass under pressure. KO Trachenko
and MT Dove. Journal of Physics: Condensed Matter 14, 1143–1152,
2002
135. Origin of the T1+α dependence of heat capacity of glasses
at low temperature. KO Trachenko, MT Dove and V Heine. Physical
Review B 65, 092201 (4 pp), 2002
136. An introduction to the use of neutron scattering methods in
mineral sciences. MT Dove. European Journal of Mineralogy 14,
203–224, 2002
137. Neutron total scattering method: simultaneous determination
of long-range and short-range order in disordered materials. MT
Dove, MG Tucker and DA Keen. European Journal of Mineralogy 14,
331–348, 2002
138. Finding best-fit polyhedral rotations with geometric
algebra. SA Wells, MT Dove and MG Tucker. Journal of Physics:
Condensed Matter 14, 4567–4584, 2002
139. Real-space rigid unit mode analysis of dynamic disorder in
quartz, cristobalite and amorphous silica. SA Wells, MT Dove, MG
Tucker and KO Trachenko. Journal of Physics: Condensed Matter 14,
4645–4657, 2002
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140. Computer simulation study of low-energy excitations in
aluminosilicate glasses. EJ Palin, KO Trachenko and MT Dove.
Journal of Physics: Condensed Matter 14, 4857–4879, 2002
141. Structural changes in zircon under irradiation by
high-energy atomic recoils. KO Trachenko MT Dove and EKH Salje.
Physical Review B 65, 180102 (R, 3 pp), 2002
142. On the densification of silica glass under pressure. K
Trachenko and MT Dove. Journal of Physics: Condensed Matter 14,
7449–7459, 2002
143. Structural disorder and loss of piezoelectric properties in
alpha-quartz at high temperature. J Haines, O Cambon, DA Keen, MG
Tucker and MT Dove. Applied Physics Letters 81, 2968–2970, 2002
144. Large swelling and percolation in irradiated zircon. K
Trachenko, MT Dove and EKH Salje. Journal of Physics: Condensed
Matter 15, L1–L7, 2003
145. Trapping of oxygen vacancies on twin walls of CaTiO3: a
computer simulation study. M Calleja, MT Dove, and EKH Salje EKH.
Journal of Physics: Condensed Matter 15, 23012307, 2003
146. Compressibility, kinetics, and phase transition in
pressurized amorphous silica. K Trachenko and MT Dove. Physical
Review B 67, 064107 (11 pp), 2003
147. Monte Carlo simulations of ordering of Al, Fe, and Mg
cations in the octahedral sheet of smectites and illites. CI
Sainz-Díaz, EJ Palin, MT Dove and A Hernández-Laguna. American
Mineralogist, 88, 1033–1045, 2003
148. Computational study of tetrahedral Al-Si and octahedral
Al-Mg ordering in phengite. EJ Palin, MT Dove, SAT Redfern, CI
Sainz-Díaz and WT Lee Physics and Chemistry of Minerals 30,
293–304, 2003
149. Infrared and Raman spectroscopy studies of the α–β phase
transition in cristobalite. IP Swainson, MT Dove, and DC Palmer.
Physics and Chemistry of Minerals, 30, 353–365, 2003
150. Octahedral cation ordering of illite and smectite.
Theoretical exchange potential determination and Monte Carlo
simulations. CI Sainz-Diaz, EJ Palin, A Hernández-Laguna, MT Dove.
Physics and Chemistry of Minerals, 30, 382–392, 2003
151. An interatomic potential model for carbonates allowing for
polarization effects. TD Archer, SEA Birse, MT Dove, SAT Redfern,
JD Gale, and RT Cygan. Physics and Chemistry of Minerals, 30,
416–424, 2003
152. The intermediate state in pressurised silica glass:
reversibility window analogue. K Trachenko, and MT Dove. Physical
Review B 67, 212203, 2003
153. Recent developments using the Paris-Edinburgh cell for
neutron diffraction at high pressure and high temperature and some
applications. Y Le Godec, MT Dove, SAT Redfern, MG Tucker, WG
Marshall, G Syfosse, S Klotz, High Pressure Research 23, 281–287,
2003
154. Impact of self-irradiation damage on the aqueous durability
of zircon (ZrSiO4): implications for its suitability as a nuclear
waste form. T Geisler, K Trachenko, S Rìos, MT Dove and EKH Salje.
Journal of Physics: Condensed Matter, 15, L597–L605, 2003
155. Reply to comment on “Large swelling and percolation in
irradiated zircon”. K Trachenko, MT Dove and EKH Salje. Journal of
Physics: Condensed Matter, 15, 6457–6471, 2003
156. Computer simulation of Al-Mg ordering in glaucophane and a
comparison with infrared spectroscopy. EJ Palin, BS Guiton, MS
Craig, MD Welch, MT Dove and SAT Redfern. European Journal of
Mineralogy 15, 893–901, 2003
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157. Rigidity and logarithmic relaxation in network glasses. K
Trachenko, MT Dove, VV Brazhkin and JC Phillips. Journal of
Physics: Condensed Matter, 15, L743–L748, 2003
158. A computational investigation of the Al/Fe/Mg
order-disorder behaviour in the dioctahedral sheet of
phyllosilicates. EJ Palin, MT Dove, A Hernández-Laguna and CI
Sainz-Díaz. American Mineralogist 89, 164–175, 2004
159. Investigation of Al/Si ordering in tetrahedral
phyllosilicate sheets by Monte Carlo simulation. EJ Palin and MT
Dove. American Mineralogist 89, 176–184, 2004
160. Simulations of minerals using density functional theory
based on atomic orbitals for linear scaling. MS Craig, MC Warren,
MT Dove, JD Gale, D Sanchez-Portal, JM Soler and E Artacho. Physics
and Chemistry of Minerals 31, 12–21, 2004
161. Effect of the tetrahedral charge on the order-disorder of
the cation distribution in the octahedral sheet of smectites and
illites by computational methods. CI Sainz-Diaz, EJ Palin, A
Hernandez-Laguna and MT Dove. Clays and Clay Minerals 52, 357–374,
2004
162. Study of cation order-disorder in MgAl2O4 spinel by in situ
neutron diffraction up to 1600 K and 3.2 GPa. F Méducin, SAT
Redfern, Y Le Godec, HJ Stone, MG Tucker, MT Dove and WG Marshall.
American Mineralogist 89, 981–986, 2004
163. Reverse Monte Carlo with geometric analysis – RMC+GA.
SA Wells, M Dove and MG Tucker. Journal of Applied Crystallography
27, 546–544, 2004
164. Radiation damage effects and percolation theory. K
Trachenko, MT Dove, T Geisler, I Todorov and B Smith. Journal of
Physics: Condensed Matter 16, S2623–S2627, 2004
165. Phonons from powder diffraction: A quantitative
model-independent evaluation. AL Goodwin, MG Tucker, MT Dove, and
DA Keen. Physical Review Letters 93, 075502 (4 pp), 2004
166. Network rigidity and properties of SiO2 and GeO2 glasses
under pressure. K Trachenko, MT Dove, V Brazhkin, and FS El’kin.
Physical Review Letters 93, (4 pp) 135502, 2004
167. Discrete-element modelling: methods and applications in the
environmental sciences. K Richards, M Bithell, M Dove and R Hodge.
Philosophical Transactions of the Royal Society of London A, 362,
1797–1816, 2004
168. Local events and stretched-exponential relaxation in
glasses. K Trachenko and MT Dove. Physical Review B 70, 132202 (4
pp), 2004
169. Radiation damage effects in the perovskite CaTiO3 and
resistance of materials to amorphization. K Trachenko, M Pruneda, E
Artacho and MT Dove. Physical Review B 70, 134112 (6 pp), 2004
170. Collaborative Virtual Environment for Advanced Computing.
GJ Lewis, SM Hasan, VN Alexandrov, MT Dove and M Calleja. Computing
and Informatics 23, 1001–1006, 2004
171. Reverse Monte Carlo modelling of crystalline disorder. DA
Keen, MG Tucker and MT Dove. Journal of Physics: Condensed Matter
17, S15–S22, 2005
172. Refinement of the Si–O–Si bond angle distribution in
vitreous silica. MG Tucker, DA Keen, MT Dove and K Trachenko.
Journal of Physics: Condensed Matter 17, S67–S75, 2005
173. Total scattering and reverse Monte Carlo study of the 105 K
displacive phase transition in strontium titanate. Q Hui, MG
Tucker, MT Dove, SA Wells and DA Keen. Journal of Physics:
Condensed Matter 17, S111–S124, 2005
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174. Computational investigation of Al/Si and Al/Mg ordering in
aluminous tremolite amphiboles. EJ Palin, MT Dove, MD Welch and SAT
Redfern. Mineralogical Magazine 69, 1–20, 2005
175. How the nature of the chemical bond governs resistance to
amorphization by radiation damage. K Trachenko, JM Pruneda, E
Artacho, and MT Dove. Physical Review B 71, . 184104 (5 pp),
2005
176. Grid computing and molecular simulations: the vision of the
eMinerals project. MT Dove and NH de Leeuw. Molecular Simulations
31, 297–301, 2005
177. Collaborative grid infrastructure for molecular
simulations: The eMinerals minigrid as a prototype integrated
compute and data grid. M Calleja, R Bruin, MG Tucker, MT Dove, RP
Tyer, LJ Blanshard, K Kleese van Dam, RJ Allan, C Chapman, W
Emmerich, PB Wilson, JP Brodholt, A Thandavan, VN Alexandrov.
Molecular Simulations 31, 303–313, 2005
178. Workflow issues in atomistic simulations. C Chapman, J
Wakelin, E Artacho, MT Dove, M Calleja, R Bruin and W Emmerich.
Molecular Simulations 31, 323–328, 2005
179. The eMinerals collaboratory: tools and experience. MT Dove,
M Calleja, R Bruin, J Wakelin, MG Tucker, GJ Lewis, SM Hasan, VN
Alexandrov, M Keegan, S Ballard, RP Tyer, I Todorov, PB Wilson, M
Alfredsson, GD Price, C Chapman, W Emmerich, SA Wells, A Marmier,
SC Parker, Zhimei Du. Molecular Simulations 31, 329–337, 2005
180. A computational study of the effect of Li-K solid solutions
on the structures and stabilities of layered silicate materials –
an application of the use of Condor pools in molecular simulation.
Z Du, NH de Leeuw, R Grau-Crespo, PB Wilson, JP Brodholt, M Calleja
and MT Dove. Molecular Simulations 31, 339–347, 2005
181. Calculation of the effect of intrinsic point defects and
volume swelling in the nuclear magnetic resonance spectra of
ZrSiO4. JM Pruneda, L Le Polles, I Farnan, K Trachenko, MT Dove and
E Artacho. Molecular Simulations 31, 349–354, 2005
182. Radiation damage in the bulk and at the surface. K
Trachenko, MT Dove, EKH Salje, I Todorov, W Smith, M Pruneda and E
Artacho. Molecular Simulations 31, 355–359, 2005
183. Temperature measurement in a Paris-Edinburgh cell by
neutron resonance spectroscopy. HJ Stone, MG Tucker, FM Meducin, MT
Dove, SAT Redfern, Y Le Godec and W. G. Marshall. Journal of
Applied Physics 98, 064905 (10 pp), 2005
184. Structural studies of the orientational order–disorder
phase transition in calcite, CaCO3. MT Dove, IP Swainson, BM Powell
and DC Tennant. Physics and Chemistry of Minerals 32, 493–503,
2005
185. Building and managing the eMinerals clusters - a case study
in grid-enabled cluster operation. RP Bruin, M Calleja , MG Tucker
and MT Dove. Computers in Science and Engineering 7, 30–37,
2005
186. Negative thermal expansion in ZrW2O8: Mechanisms, rigid
unit modes, and neutron total scattering. MG Tucker, AL Goodwin, MT
Dove, DA Keen, SA Wells and JSO Evans. Physical Review Letters 95,
255501 (4 pp), 2005
187. Model-independent extraction of dynamical information from
powder diffraction data. AL Goodwin, MG Tucker, MT Dove, ER Cope
and DA Keen. Physical Review B 72, 214304 (15 pp), 2005
188. Erratum: Phonons from powder diffraction: A quantitative
model-independent evaluation [Phys Rev Lett 93, 075502 (2004)]. AL
Goodwin, MG Tucker, MT Dove and DA Keen. Physical Review Letters
95, 119901 (4 pp), 2005
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189. Remote determination of sample temperature by neutron
resonance spectroscopy. HJ Stone, MG Tucker, Y Le Godec, FM
Méducina, ER Cope, SA Hayward, GPJ Ferlat, WG Marshall, S
Manolopoulos, SAT Redfern and MT Dove. Nuclear Instruments and
Methods in Physics Research A 547, 601–615, 2005
190. Multicast application sharing tool; Facilitating the
eMinerals virtual organisation. GJ Lewis, SM Hasan, VN Alexandrov,
MT Dove and M Calleja. Lecture Notes in Computer Science 3516,
359–366, 2005
191. Cation substitution and strain screening in framework
structures: the role of Rigid Unit Modes. AL Goodwin, SA.Wells and
MT Dove. Chemical Geology 225, 213–221, 2006
192. Magnetic structure of MnO at 10 K from total neutron
scattering data. AL Goodwin, MG Tucker, MT Dove and DA Keen.
Physical Review Letters 96, 047209 (4 pp), 2006
193. Simulation of radiation damage in gadolinium pyrochlores.
IT Todorov, JA Purton, NL Allan and MT Dove. Journal of Physics:
Condensed Matter 18, 2217–2234, 2006
194. Synchrotron radiation, neutron, and mass spectrometry
techniques at user facilities. SR Sutton, MW Caffee and MT Dove.
Elements 2, 15–22, 2006
195. DL_POLY_3: new dimensions in molecular dynamics simulations
via massive parallelism. IT Todorov,W Smith, K Trachenko and MT
Dove. Journal of Materials Chemistry 16, 1911–1918, 2006
196. Atomistic simulations of resistance to amorphization by
radiation damage. K Trachenko, MT Dove, E Artacho, IT Todorov and W
Smith. Physical Review B 73, 174207 (15 pp), 2006
197. Molecular dynamics in a grid computing environment:
experiences using DL_POLY_3 within the eMinerals escience project.
MT Dove, LA Sullivan, AM Walker, RP Bruin, TOH White, K Trachenko,
P Murray-Rust, IT Todorov, RP Tyer, PA Couch, K Kleese van Dam, W
Smith. Molecular Simulation 32, 945–952, 2006
198. Dynamics from diffraction. AL Goodwin, MG Tucker, ER Cope,
MT Dove and DA Keen. Physica B 385–386, 285–287, 2006
199. MERLIN, a new high count rate spectrometer at ISIS. RI
Bewley, RS Eccleston, KA McEwen, SM Hayden, MT Dove, SM Bennington,
JR Treadgold, RLS Coleman. Physica B 385–386, 1029–1031, 2006
200. DFT study of the cation arrangements in the octahedral and
tetrahedral sheets of dioctahedral 2 : 1 phyllosilicates. A
Hernandez-Laguna, E Escamilla-Roa, V Timon, MT Dove and CI
Sainz-Diaz. Physics and Chemistry of Minerals 33, 655–666, 2006
201. MnO spin-wave dispersion curves from neutron powder
diffraction. AL Goodwin, MT Dove, MG Tucker, and DA Keen. Physical
Review B 75, 075423, 2007
202. Use of massively parallel molecular dynamics simulations
for radiation damage in pyrochlores. IT Todorov, NL Allan, JA
Purton, MT Dove and W Smith. Journal of Materials Science 42,
1920–1930, 2007
203. Pressure-induced structural transformation in
radiation-amorphized zircon. K Trachenko, VV Brazhkin, OB Tsiok, MT
Dove and EKH Salje. Physical Review Letters 98, 135502 (4 pp),
2007
204. Pair distribution functions calculated from interatomic
potential models using the General Utility Lattice Program. ER Cope
and MT Dove. Journal of Applied Crystallography 40, 598–594,
2007
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Martin Dove: publications
205. Structural Description of Pressure-Induced Amorphization in
ZrW2O8. DA Keen, AL Goodwin, MG Tucker, MT Dove, JSO Evans, WA
Crichton and M Brunelli. Physical Review Letters 98, 225501 (4 pp),
2007
206. Special issue in honour of the 60th birthday of Professor
Ekhard Salje FRS. U Bismayer, MT Dove, E Artacho, JF Scott and SAT
Redfern. Journal of Physics: Condensed Matter 19, 270301 (1 pp),
2007
207. Exotic distributions of rigid unit modes in the reciprocal
spaces of framework aluminosilicates. MT Dove, AKA Pryde, V Heine
and KD Hammonds. Journal of Physics: Condensed Matter 19, 275209
(20 pp), 2007
208. The origin of the compressibility anomaly in amorphous
silica: A molecular dynamics study. AM Walker, LA Sullivan, K
Trachenko, RP Bruin, TOH White, MT Dove, RP Tyer, IT Todorov and SA
Wells. Journal of Physics: Condensed Matter 19, 275210 (9 pp),
2007
209. Q Hui, MT Dove, MG Tucker, SAT Redfern and DA Keen. Neutron
total scattering and reverse Monte Carlo study of cation ordering
in CaxSr1−xTiO3. Journal of Physics: Condensed Matter 19, 335214
(11 pp), 2007
210. Local structure in ZrW2O8 from neutron total scattering. MG
Tucker, DA Keen, JSO Evans and MT Dove. Journal of Physics:
Condensed Matter 19, 335215 (16 pp), 2007
211. RMCProfile: Reverse Monte Carlo for polycrystalline
materials. MG Tucker, DA Keen, MT Dove, AL Goodwin and Q Hui.
Journal of Physics: Condensed Matter 19, 335218 (16 pp), 2007
212. Logarithmic relaxation in radiation-amorphized zircon. K
Trachenko, VV Brazhkin, OB Tsiok, MT Dove and EKH Salje. Physical
Review B 76, 012103 (3 pp), 2007
213. Ferroelectric nanoscale domains and the 905 K phase
transition in SrSnO3: A neutron total-scattering study. AL Goodwin,
SAT Redfern, MT Dove, DA Keen, MG Tucker. Physical Review B 76,
174114 (11 pp), 2007
214. Electrostatic versus polarisation effects in the adsorption
of aromatic molecules of varied polarity on an insulating
hydrophobic surface. KF Austen, TOH White, A Marmier, SC Parker, E
Artacho, MT Dove. Journal of Physics: Condensed Matter 20, 035215
(7pp), 2008
215. Colossal positive and negative thermal expansion in the
framework material Ag3[Co(CN)6]. AL Goodwin, M Calleja, MJ
Conterio, MT Dove, JSO Evans, DA Keen, L Peters, MG Tucker. Science
319, 794–797, 2008
216. Local structure in Ag3[Co(CN)6]: Colossal thermal
expansion, rigid unit modes and argentophilic interactions. M
Conterio, AL Goodwin, MG Tucker, DA Keen, MT Dove, L Peters and JSO
Evans. Journal of Physics: Condensed Matter 20, 255225 (13pp),
2008
217. Origin of the colossal positive and negative thermal
expansion in Ag3[Co(CN)6]: an ab initio density functional theory
study. M Calleja, AL Goodwin and MT Dove. Journal of Physics:
Condensed Matter 20, 255226 (9pp), 2008
218. Argentophilicity-dependent colossal thermal expansion in
extended Prussian blue analogues. AL Goodwin, DA Keen, MG Tucker,
MT Dove, L Peters, JSO Evans. Journal of the American Chemical
Society 180, 9660–9661, 2008
219. The compressibility and high-pressure structure of diopside
from first-principles simulation. AM Walker, RP Tyer, RP Bruin and
MT Dove. Physics and Chemistry of Minerals 35, 359–366, 2008
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220. Nature of the structural transformations in B2O3 glass
under high pressure. VV Brazhkin, Y Katayama, K Trachenko, OB
Tsiok, AG Lyapin, E Artacho, M Dove, G Ferlat, Y Inamura and H
Saitoh. Physical Review Letters 101, 035702 (4pp), 2008
221. First-principles calculations of structural changes in B2O3
glass under pressure. K Trachenko, VV Brazhkin, G Ferlat, MT Dove
and E Artacho. Physical Review B 78, 172102 (4pp), 2008
222. Job submission to grid computing environments. RP Bruin,
TOH White, AM Walker, KF Austen, MT Dove, RP Tyer, PA Couch, IT
Todorov and MO Blanchard. Concurrency and Computation: Practice and
Experience 20, 1329–1340, 2008
223. eScience for molecular-scale simulations and the eMinerals
project. EKH Salje , E Artacho, KF Austen, RB Bruin, M Calleja, HF
Chappell, G-T Chiang, MT Dove, I Frame, AL Goodwin, K Kleese van
Dam, A Marmier, SC Parker, JM Pruneda, IT Todorov, K Trachenko, RP
Tyer, AM Walker and TOH White. Philosophical Transactions of the
Royal Society A 367, 967–985, 2009
224. Lessons in scientific data interoperability: XML and the
eMinerals project. TOH White, RP Bruin, G-T Chiang, MT Dove, AM
Walker and RP Tyer. Philosophical Transactions of the Royal Society
A 367, 1041–1046, 2009
225. Integrating computing, data and collaboration grids: the
RMCS tool. AM Walker, RP Bruin, MT Dove, TOH White, K Kleese van
Dam and RP Tyer. Philosophical Transactions of the Royal Society A
367, 1047–1050, 2009
226. New tools to support collaboration and virtual
organizations. I Frame, KF Austen, M Calleja, MT Dove, TOH White
and DJ Wilson. Philosophical Transactions of the Royal Society A
367, 1051–1056, 2009
227. Zinc incorporation into hydroxylapatite. Y Tang, HF
Chappell, MT Dove, RJ Reeder and YJ Lee. Biomaterials 30,
2864–2872, 2009
228. Geospatial visualization tool kit for scientists using
Fortran. G-T Chiang, OH White and MT Dove. Eos 90, 249–250,
2009
229. Aperiodicity, structure, and dynamics in Ni(CN)2. AL
Goodwin, MT Dove, AM Chippindale, SJ Hibble, AH Pohl and AC Hannon.
Physical Review B 80, 054101, 2009
230. Density functional theory and Monte Carlo study of
octahedral cation ordering of Al/Fe/Mg cations in dioctahedral 2:1
phyllosilicates. J Ortega-Castro, N Hernández-Haro, MT Dove, A
Hernández-Laguna and CI Sainz-Díaz. American Mineralogist 95,
209–220, 2010
231. Evaluation of domain models for β-cristobalite from the
pair distribution function. ER Cope and MD Dove. Journal of
Physics: Condensed Matter 22, 125401 (7pp), 2010
232. Structure and properties of an amorphous metal-organic
framework. TD Bennett, AL Goodwin, MT Dove, DA Keen, MG. Tucker, ER
Barney, AK Soper, EG Bithell, J-C Tan and AK Cheetham. Physical
Review Letters 104, 115503 (4 pp), 2010
233. Structure determination of disordered materials from
diffraction data. MJ Cliffe, MT Dove, DA Drabold and AL Goodwin.
Physical Review Letters 104, 125501 (4 pp), 2010
234. Developing an end-to-end scientific workflow. A case study
using a comprehensive workflow platform in e-science. XY Yang, RP
Bruin and MT Dove. Computing in Science and Engineering 12, 52–61,
2010
235. User-centred design practice for grid-enabled simulation in
e-science. XY Yang, M Dove and RB Bruin. New Generation Computing
28, 147–159, 2010
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Martin Dove: publications
236. Nanoporous structure and medium-range order in synthetic
amorphous calcium carbonate. AL Goodwin, FM MIchel, BL Phillips, DA
Keen, MT Dove and RJ Reeder. Chemistry of Materials 22, 3197–3205,
2010
237. Hydrogen-bonding transition and isotope-dependent negative
thermal expansion in H3Co(CN)6.
DA Keen, MT Dove, JSO Evans, AL
Goodwin, L Peters and MG Tucker. Journal of Physics: Condensed
Matter 22, 404202 (7 pp), 2010
238. Geo-visualization Fortran library. G-T Chiang, TOH White,
MT Dove, CI Bovolo and J Ewen. Computers & Geosciences 37,
65–74, 2011
239. Diffraction study of pressure-amorphized ZrW2O8 using in
situ and recovered samples. DA Keen, AL Goodwin, MG Tucker, JA
Hriljac, TD Bennett, MT Dove, AK Kleppe, AP Jephcoat, and M
Brunelli. Physical Review B 83, 064109 (6 pp), 2011
240. The re-entrant phase transitions in crystalline
malononitrile, CH2(CN)2: a neutron powder diffraction study. MT
Dove. Journal of Physics: Condensed Matter 23, 225402 (8 pp),
2011
241. Modeling high-energy radiation damage in nuclear and fusion
applications. K Trachenko, E Zarkadoula, IT Todorov, MT Dove, DJ
Dunstan, K Nordlund. Nuclear Instruments & Methods in Physics
Research Section B: Beam Interactions with Materials and Atoms 277,
6–13, 2012
242. An e-Science data infrastructure for simulations within
Grid computing environment: methods, approaches and practice. X
Yang, MT Dove, RP Bruin, A Walkingshaw, R Sinclair, DJ Wilson and P
Murray-Rust. Concurrency and Computation: Practice and Experience
25, 385–409, 2013
243. Structural changes in zirconolite under alpha-decay. HF
Chappell, MT Dove, K Trachenko, REA McKnight, MA Carpenter, SAT
Redfern. Journal of Physics: Condensed Matter 25, 055401 (6pp),
2013
244. The nature of high-energy radiation damage in iron. E
Zarkadoula1, SL Daraszewicz, DM Duffy, MA Seaton, IT Todorov, K
Nordlund, MT Dove and K Trachenko. Journal of Physics: Condensed
Matter 25, 125402 (7pp), 2013
245. The heat capacity of matter beyond the Dulong–Petit value.
E I Andritsos, E Zarkadoula, AE Phillips, MT Dove, CJ Walker, VV
Brazhkin and K Trachenko. Journal of Physics: Condensed Matter 25,
235401 (6 pp), 2013
246. Pressure-induced softening as a common feature of framework
structures with negative thermal expansion. H Fang and MT Dove.
Physical Review B 87, 214109 (6 pp), 2013
247. Flexibility of zeolitic imidazolate framework structures
studied by neutron total scattering and the reverse Monte Carlo
method. EOR Beake, MT Dove, AE Phillips, DA Keen, MG Tucker, AL
Goodwin, TD Bennett and AK Cheetham. Journal of Physics: Condensed
Matter 25, 395403 (9 pp), 2013
248. Simulation study of pressure and temperature dependence of
the negative thermal expansion in Zn(CN)2. H Fang, MT Dove, LHN
Rimmer, and AJ Misquitta. Physical Review B 88, 104306 (12 pp),
2013
249. Temperature-dependent pressure-induced softening in
Zn(CN)2. H Fang, AE Phillips, MT Dove, MG Tucker, and AL Goodwin.
Physical Review B 88, 144103 (8 pp), 2013
250. Local structure correlations in plastic cyclohexane—a
reverse Monte Carlo study. NP Funnell, MT Dove, AL Goodwin, S
Parsons and MG Tucker. Journal of Physics: Condensed Matter 25,
454204 (13 pp), 2013
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Martin Dove: publications
251. RMCgui: a new interface for the workflow associated with
running Reverse Monte Carlo simulations. MT Dove and G Rigg.
Journal of Physics: Condensed Matter 25, 454222 (9 pp), 2013
252. Role of Disorder in the Thermodynamics and Atomic Dynamics
of Glasses. AI Chumakov, G Monaco, A Fontana, A Bosak, RP Hermann,
D Bessas, B Wehinger, WA Crichton, M Krisch, R Rüffer, G Baldi, G
Carini Jr, G Carini, G D’Angelo, E Gilioli, G Tripodo, M Zanatta, B
Winkler, V Milman, K Refson, MT Dove, N Dubrovinskaia, L
Dubrovinsky, R Keding, and YZ Yue. Physical Review Letters 112,
025502 (6 pp), 2014
253. High-energy radiation damage in zirconia: Modeling results.
E Zarkadoula, R Devanathan,WJ Weber, MA Seaton, IT Todorov, K
Nordlund, MT Dove, and K Trachenko, Journal of Applied Physics 115,
083507 (7 pp), 2014
254. Electronic effects in high-energy radiation damage in iron.
E Zarkadoula, SL Daraszewicz, DM Duffy, MA Seaton, IT Todorov, K
Nordlund, MT Dove, and K Trachenko. Journal of Physics: Condensed
Matter 26, 085401 (8 pp), 2014
255. A phenomenological expression to describe the temperature
dependence of pressure-induced softening in negative thermal
expansion materials. H Fang and MT Dove. Journal of Physics:
Condensed Matter 26, 115402 (5 pp), 2014
256. Computer simulations of cations order-disorder in 2:1
dioctahedral phyllosilicates using cation-exchange potentials and
Monte Carlo methods. EJ Palin, MT Dove, SAT Redfern, J
Ortega-Castro, C Ignacio Sainz-Dıaz, and A Hernandez-Laguna.
International Journal of Quantum Chemistry 2014, 1–30, 2014
257. Common origin of negative thermal expansion and other
exotic properties in ceramic and hybrid materials. H Fang, MT Dove
and AE Phillips. Physical Review B 89, 214103 (6 pp), 2014
258. Framework flexibility and the negative thermal expansion
mechanism of copper(I) oxide Cu2O. LHN Rimmer MT Dove, B Winkler,
DJ Wilson, K Refson, and AL Goodwin. Physical Review B 89, 214115
(10 pp), 2014
259. Measurement of bitumen viscosity in a room-temperature drop
experiment: student education, public outreach and modern science
in one. AT Widdicombe, P Ravindrarajah, A Sapelkin, AE Phillips, D
Dunstan, MT Dove, VV Brazhkin and K Trachenko. Physics Education
49, 406–411, 2014
260. Ag–Ag dispersive interaction and physical properties of
Ag3Co(CN)6. H Fang, MT Dove and K Refson. Physical Review B 90,
054302 (11 pp), 2014
261. Acoustic phonons and negative thermal expansion in MOF-5.
LHN Rimmer, MT Dove, AL Goodwin and DC Palmer. Physical Chemistry
and Chemical Physics 16, 21144–21152, 2014
262. Solid-state diffusion in amorphous zirconolite. C Yang, E
Zarkadoula, MT Dove, IT Todorov, T Geisler, VV Brazhkin and K
Trachenko. Journal of Applied Physics 116, 184901 (6 pp), 2014
263. Frenkel line and solubility maximum in supercritical
fluids. C Yang, VV Brazhkin, MT Dove and K Trachenko. Physical
Review E 91, 012112 (5pp), 2015
264. Simulation study of negative thermal expansion in yttrium
tungstate Y2W3O12. LHN Rimmer and MT Dove. Journal of Physics:
Condensed Matter Physics 27, 185401 (11 pp), 2015
265. Molecular dynamics simulation study of various zeolitic
imidazolate framework structures. M Gao, AJ Misquitta, LHN. Rimmer
and MT Dove. Dalton Transactions, 45, 4289–4302, 2016
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266. Local structure of the metal–organic perovskite
dimethylammonium manganese(II) formate. HD Duncan, MT Dove, DA
Keen, and AE Phillips. Dalton Transactions, 45, 4380–4391, 2016
Manuscripts in press
267. Negative thermal expansion and associated anomalous
physical properties: review of the lattice dynamics theoretical
foundation. MT Dove and H Fang. Reports on Progress in Physics,
accepted for publication, 2016
Books
268. Introduction to lattice dynamics (book). MT Dove. Cambridge
Topics in Mineral Physics, volume 4: (Cambridge University Press:
hardback ISBN 0521392934, paperback ISBN 0521398940), 1993
269. Structure and Dynamics: an atomic view of materials. (book)
MT Dove. Oxford Master Series on Condense Matter Physics, 334 pages
(Oxford University Press: hardback ISBN 0198506775, paperback ISBN
0198506783), 2003
Reviewed and published conference papers
270. Dynamics of plastic crystals. MT Dove, D Fincham and RE
Hubbard. Journal of Molecular Graphics 3, 119–120, 1985
271. Computer simulations and phase transitions in molecular
crystals. MT Dove and RM Lynden-Bell. in Dynamics of molecular
crystals (ed J Lascombe; Elsevier), pp705–711, 1987
272. Energetics of Al/Si ordering in silicates, and the
occasional problem of an apparent lack of long-range ordering. MT
Dove, S Thayaparam and V Heine. In Proceedings of the Workshop on
Kinetics of Cation Ordering, European Science Foundation Programme
on Kinetic Processes in Minerals and Ceramics, ed. A Putnis
(Cambridge, 1994, European Science Foundation)
273. Phonon free energy, polytype phase transitions in PbI2,
rigid unit modes, and surface entropy. MT Dove, MC Warren, AKA
Pryde and B Winkler. In Proceedings of Aperiodic’97, ed. M de
Boissieu, J-L Verger-Gaugry and R Currat (World Scientific), pp
541–549, 1998
274. Environment from the molecular level: an escience testbed
project. MT Dove, M Calleja, J Wakelin, K Trachenko, G Ferlat, P
Murray-Rust, NH de Leeuw, Z Du, GD Price, PB Wilson, JP Brodholt, M
Alfredsson, A Marmier, RP Tyer, LJ Blanshard, RJ Allan, K Kleese
van Dam, IT Todorov, W Smith, VN Alexandrov, GJ Lewis, A Thandavan,
SM Hasan. Proceedings of UK e-Science All Hands Meeting 2003,
(EPSRC, ISBN 1-904425-11-9) pp 302–305
275. Building the eMinerals Minigrid. RP Tyer, LJ Blanshard, K
Kleese van Dam, RJ Allan, AJ Richards and MT Dove. Proceedings of
UK e-Science All Hands Meeting 2003, (EPSRC, ISBN 1-904425-11-9),
pp 483–487
276. The MERLIN Chopper Spectrometer at ISIS. RI Bewley, RS
Eccleston, JR Treadgold, RLS Coleman, DWJ Bellenger, NJ Rhodes, KA
McEwen, SM Hayden and MT Dove. in Proceedings of the 16th Meeting
of the International Collaboration on Advanced Neutron Sources,
Neuss, Germany, May 12–14, 2003
(http://www.fz-juelich.de/ess/Papers)
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277. Environment from the Molecular Level e-Science Project and
its use of CLRC's Web Services Based Data Portal. LJ Blanshard, K
Kleese and MT Dove. In Proceedings of the First International
Conference on Web Services (CSREA Press, ISBN: 1-892512-40-8), pp
164–167, 2003
278. Structural studies of hollandite-based radioactive waste
forms. KR Whittle, SE Ashbrook, GR Lumpkin, JP Attfield, MT Dove
and Farnan I. In Scientific basis for nuclear waste management
XXVII, MRS Proceedings 807, 339–344, 2004
279. Calculating activation energies in diffusion processes
using a Monte Carlo approach in a grid environment. M Calleja and
MT Dove. Lecture Notes in Computer Science, 3039, Part 4, pp
483–490, 2004
280. Radiation-induced structural changes, percolation effects
and resistance to amorphization by radiation damage. K Trachenko,
MT Dove, M Pruneda, E Artacho, E Salje, T Geisler, I Todorov, B
Smith. In Radiation Effects and Ion-Beam Processing of Materials
(Editors: Wang LM, Fromknecht R, Snead LL, Downey DF, Takahashi H),
Materials Research Society Symposium Proceedings 792, 509–524,
2004
281. Collaborative tools in support of the eMinerals Virtual
Organisation. MT Dove, M Calleja, R Bruin, J Wakelin, M Keegan, S
Ballard, G Lewis, SM Hasan, V Alexandrov, RP Tyer, I Todorov, P
Wilson, M Alfredsson, GD Price, C Chapman, W Emmerich, S Wells, A
Marmier, S Parker, Z Du. Proceedings of the UK e-Science All Hands
Meeting 2004, (ISBN 1-904425-21-6), pp 127–134, 2004
282. CamGrid: Experiences in constructing a university-wide,
Condor-based grid at the University of Cambridge. M Calleja, B
Beckles, M Keegan, MA Hayes, A Parker and MT Dove, Proceedings of
the UK e-Science All Hands Meeting 2004, (ISBN 1-904425-21-6), pp
173–178, 2004
283. Science outcomes from the use of Grid tools in the
eMinerals project. S Wells, M Alfredsson, J Bowe, J Brodholt, R
Bruin, M Calleja, R Catlow, DJ Cooke, MT Dove,, Z Du, S. Kerisit, N
de Leeuw, A Marmier, S Parker, GD Price, B Smith, H Spohr, I
Todorov, K Trachenko, J Wakelin, K Wright. Proceedings of the UK
e-Science All Hands Meeting 2004, (ISBN 1-904425-21-6), pp 240–247,
2004
284. Environmental Molecular Processes: Management of Simulation
Data and Annotation. L Blanshard, R Tyer, M Calleja, K Kleese, MT
Dove. Proceedings of the UK e-Science All Hands Meeting 2004, (ISBN
1-904425-21-6), pp 637–644, 2004
285. Portal Framework for Computation within the eMinerals
Project. R Tyer, M Calleja, R Bruin, C Chapman, MT Dove, RJ Allan.
Proceedings of the UK e-Science All Hands Meeting 2004, (ISBN
1-904425-21-6), pp 660–665, 2004
286. Grid tool integration within the eMinerals project. M
Calleja, L Blanshard, R Bruin, C Chapman, A Thandavan, R Tyer, P
Wilson, V Alexandrov, RJ Allen, J Brodholt, MT Dove, W Emmerich, K
Kleese van Dam. Proceedings of the UK e-Science All Hands Meeting
2004, (ISBN 1-904425-21-6), pp 812–817, 2004
287. JUMBO – An XML infrastructure for ecience. Y Zhang, P
Murray-Rust, MT Dove, RC Glen, HS Rzepa, JA Townsend, S Tyrrell, J
Wakelin, EG Willighagen. Proceedings of the UK e-Science All Hands
Meeting 2004, (ISBN 1-904425-21-6), pp 930–934, 2004
288. eScience usability: the eMinerals experience. MT Dove, TO
White, RP Bruin, MG Tucker, M Calleja, E Artacho, P Murray-Rust, RP
Tyer, I Todorov, RJ Allan, K Kleese van Dam, W Smith, C Chapman, W
Emmerich, A Marmier, SC Parker, GJ Lewis, SM Hasan, A Thandavan, V
Alexandrov, M Blanchard, K Wright, CRA Catlow, Z Du, NH de Leeuw, M
Alfredsson, GD Price, J Brodholt. Proceedings of All Hands 2005
(ISBN 1-904425-53-4), pp 30–37, 2005
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289. Towards Data Integration for Computational Chemistry. PA
Couch, P Sherwood, S Sufi, IT Todorov, RJ Allan, PJ Knowles, RP
Bruin, MT Dove and P Murray-Rust. Dove Proceedings of All Hands
2005 (ISBN 1-904425-53-4), pp 426–432, 2005
290. Multicast Application Sharing Tool for the Access Grid
Toolkit. SM Hasan, GJ Lewis, VN Alexandrov, MT Dove, and MG Tucker.
Proceedings of All Hands 2005 (ISBN 1-904425-53-4), pp 433–440,
2005
291. eScience methods for the combinatorial chemistry problem of
adsorption of pollutant organic molecules on mineral surfaces. TO
White, RP Bruin, J Wakelin, C Chapman, D Osborn, P Murray-Rust, E
Artacho, MT Dove, M Calleja. Proceedings of All Hands 2005 (ISBN
1-904425-53-4), pp 773–780, 2005
292. Condor Birdbath: Web Service interfaces to condor. C
Chapman, C Goonatilake, W Emmerich, M Farrellee, T Tannenbaum, M
Livny, M Calleja and M Dove Proceedings of All Hands 2005 (ISBN
1-904425-53-4), pp 737–744, 2005
293. eMinerals: Science Outcomes enabled by new Grid Tools. M
Alfredsson, E Artacho, M Blanchard, JP Brodholt, CRA Catlow, DJ
Cooke, MT Dove, Z Du, NH de Leeuw, A Marmier, SC Parker, GD Price,
JMA Pruneda, W Smith, I Todorov, K Trachenko, and K Wright.
Proceedings of All Hands 2005 (ISBN 1-904425-53-4), pp 788–795,
2005
294. The eMinerals project: developing the concept of the
virtual organisation to support collaborative work on
molecular-scale environmental simulations. MT Dove, E Artacho, TO
White, RP Bruin, MG Tucker, P Murray-Rust, RJ Allan, K Kleese van
Dam, W Smith, RP Tyer, I Todorov, W Emmerich, C Chapman, SC Parker,
A Marmier, V Alexandrov, GJ Lewis, SM Hasan, A Thandavan, K Wright,
CRA Catlow, M Blanchard, NH de Leeuw, Z Du, GD Price, J Brodholt, M
Alfredsson. Proceedings of All Hands 2005 (ISBN 1-904425-53-4), pp
1058–1065, 2005
295. Developing lightweight application execution mechanisms in
grids. L He, MT Dove, M Hayes, P Murray-Rust, M Calleja, X Yang and
V Milman. Proceedings of the UK e-Science All Hands Meeting 2006
(ISBN 0-9553988-0-0) pp 201–208, 2006
296. A lightweight, scriptable, web-based frontend to the SRB.
TOH White, RP Tyer, RP Bruin, MT Dove, and KF Austen. Proceedings
of the UK e-Science All Hands Meeting 2006 (ISBN 0-9553988-0-0) pp
209–216, 2006
297. Survey of major tools and technologies for grid-enabled
portal development. X Yang, MT Dove, M Hayes, M Calleja, L He and P
Murray-Rust. Proceedings of the UK e-Science All Hands Meeting 2006
(ISBN 0-9553988-0-0) pp 353–356, 2006
298. Simple Grid Access using the Business Process Execution
Language. C Chapman, AM Walker, M Calleja, RP Bruin, MT Dove and W
Emmerich. Proceedings of the UK e-Science All Hands Meeting 2006
(ISBN 0-9553988-0-0) pp 377–380, 2006
299. Automatic metadata capture and grid computing. RP Tyer, PA
Couch, K Kleese van Dam, IT Todorov, RP Bruin, TOH White, AM
Walker, KF Austen, MT Dove and MO Blanchard. Proceedings of the UK
e-Science All Hands Meeting 2006 (ISBN 0-9553988-0-0) pp 381–384,
2006
300. A virtual research organization enabled by eMinerals
minigrid: An integrated study of the transport and immobilisation
of arsenic species in the environment. Z Du, VN Alexandrov, M
Alfredsson, E Artacho, KF Austen, ND Bennett, M Blanchard, JP
Brodholt, RP Bruin, CRA Catlow, C Chapman, DJ Cooke, TG Cooper, MT
Dove, W Emmerich, SM Hasan, S Kerisit, NH de Leeuw, GJ Lewis, A
Marmier, SC Parker, GD Price, W Smith, IT Todorov, R Tyer, K Kleese
van Dam, AM
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Martin Dove: publications
Walker, TOH White and K Wright. Proceedings of the UK e-Science
All Hands Meeting 2006 (ISBN 0-9553988-0-0) pp 481–488, 2006
301. Application and uses of CML within the eMinerals project.
TOH White, P Murray-Rust, PA Couch, RP Tyer, RP Bruin, IT Todorov,
DJ Wilson, MT Dove, KF Austen and SC Parker. Proceedings of the UK
e-Science All Hands Meeting 2006 (ISBN 0-9553988-0-0) pp 606–613,
2006
302. Using eScience to calibrate our tools: parameterisation of
quantum mechanical calculations with grid technologies. KF Austen,
TOH White, RP Bruin, MT Dove, E Artacho and RP Tyer. Proceedings of
the UK e-Science All Hands Meeting 2006 (ISBN 0-9553988-0-0) pp
645–652, 2006
303. Anatomy of a grid-enabled molecular simulation study: the
compressibility of amorphous silica. AM Walker, MT Dove, LA
Sullivan, K Trachenko, RP Bruin, TOH White, P Murray-Rust, RP Tyer,
PA Couch, IT Todorov, W Smith and K Kleese van Dam. Proceedings of
the UK e-Science All Hands Meeting 2006 (ISBN 0-9553988-0-0) pp
653–660, 2006
304. Job submission to grid computing environments. RP Bruin,
TOH White, AM Walker, KF Austen, MT Dove, RP Tyer, PA Couch, IT
Todorov and MO Blanchard. Proceedings of the UK e-Science All Hands
Meeting 2006 (ISBN 0-9553988-0-0) pp 754–761, 2006
305. Information delivery in computational mineral science: the
eMinerals data handling system. TOH White, MT Dove, RP Bruin, KF
Austen, AM Walker, E Artacho, P Murray-Rust, AD Walkingshaw, A
Marmier, SC Parker, PA Couch, RP Tyer, IT Todorov and DJ Wilson.
Proceedings of Proceedings of the Second IEEE International
Conference on e-Science and Grid Computing 2006
(ISBN:0-7695-2734-5), p 59, 2006
306. Facilitating Collaboration and Application Sharing with
MAST and the Access Grid Development Infrastructures. G Lewis, SM
Hasan, VN Alexandrov and MT Dove. Proceedings of Proceedings of the
Second IEEE International Conference on e-Science and Grid
Computing 2006 (ISBN:0-7695-2734-5), p 68, 2006
307. Computational grids for mid-sized collaborative projects:
the eMinerals experience. MT Dove, TOH White, AM Walker, RP Bruin,
KF Austen, E Artacho, LA Sullivan, M Calleja, MG Tucker, RP Tyer,
PA Couch, K Kleese van Dam, RJ Allan, IT Todorov, C Chapman, W
Emmerich, A Marmier, SC Parker, MO Blanchard, Z Du, GJ Lewis, V
Alexandrov, M Alfredsson, JP Brodholt and P Murray-Rust.
Proceedings of Proceedings of the Second IEEE International
Conference on e-Science and Grid Computing 2006
(ISBN:0-7695-2734-5), p 95, 2006
308. Usable grid infrastructures: practical experiences from the
eMinerals project. MT Dove, AM Walker, TOH White, RP Bruin, KF
Austen, I Frame, G-T Chiang, P Murray-Rust, RP Tyer, PA Couch, K
Kleese van Dam, SC Parker, A Marmier and C Arrouvel. Proceedings of
the UK e-Science All Hands Meeting 2007 (ISBN 978-0-9553988-3-4),
pp 48–55, 2007
309. Science carried out as part of the NW-GRID project using
the eMinerals infrastructure. JMH Thomas, R Tyer, RJ Allan, JM
Rintelman, P Sherwood, MT Dove, KF Austen, AM Walker, RP Bruin, L
Petit and MC Durrant. Proceedings of the UK e-Science All Hands
Meeting 2007 (ISBN 978-0-9553988-3-4), pp 220–227, 2007
310. Driving Google Earth from Fortran. G-T Chiang, TOH White
and MT Dove. Proceedings of the UK e-Science All Hands Meeting 2007
(ISBN 978-0-9553988-3-4), pp 236–243, 2007
311. Metadata management and grid computing within the eMinerals
project. RP Tyer, PA Couch, TV Mortimer-Jones, K Kleese van Dam, IT
Todorov, RP Bruin, TOH White, AM Walker, KF Austen and
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MT Dove. Proceedings of the UK e-Science All Hands Meeting 2007
(ISBN 978-0-9553988-3-4), pp 415–422, 2007
312. Integration of AJAX technologies into the MaterialsGrid
portal for physical properties queries. X Yang, TV Mortimer-Jones,
DJ Wilson, MT Dove, L Blanshard. Proceedings of the UK e-Science
All Hands Meeting 2007 (ISBN 978-0-9553988-3-4), pp 599–606,
2007
313. A service-oriented framework for running quantum mechanical
simulations of material properties in a Grid Environment. X Yang,
RP Bruin, MT Dove, A Walkingshaw, TV Mortimer-Jones, R Sinclair, DJ
Wilson, V Milman, and T Donovan. IEEE Transactions on Systems, Man,
and Cybernetics – Part C: Applications and Reviews 40,
485–490, 2010
Chapters in books
314. Molecular dynamics simulations in the solid state sciences.
MT Dove. in Physical Properties and Thermodynamic Behaviour of
Minerals (ed E Salje; Riedel), pp501–590, 1987
315. Spontaneous strain in molecular crystals, with special
consideration of the orientational order-disorder phase transition
in sulphur hexafluoride. MT Dove. in Phase transitions in
ferroelastic and co-elastic crystals, EKH Salje (Cambridge
University Press), 1990, pp 310–325
316. Spontaneous strain in molecular crystals, with special
consideration of the orientational order-disorder phase transition
in sulphur hexafluoride. MT Dove. in Phase transitions in
ferroelastic and co-elastic crystals, EKH Salje (Cambridge
University Press), 1990, pp 310–325
317. Silicates and soft modes. M T Dove. In Amorphous Insulators
and Semiconductors, ed. MF Thorpe and MI Mitkova, NATO ASI series
3. High Technology (Kluwer, Amsterdam), Vol 23, pp 349–383,
1997
318. Short-range disorder and long-range order: implications of
the ‘Rigid Unit Mode’ model. MT Dove, V Heine, KD Hammonds, M
Gambhir and AKA Pryde. in Local structure from diffraction, ed. MF
Thorpe and S Billinge (Plenum), pp 253–272, 1998
319. Floppy modes in crystalline and amorphous silicates. MT
Dove, KD Hammonds and K Trachenko. in Rigidity Theory and
Applications, ed. MF Thorpe and PM Duxbury (Plenum), pp 217–238,
1999
320. Introduction to the theory of lattice dynamics. MT Dove. in
Microscopic properties and processes in minerals (ed. CRA Catlow
and K Wright, Riedel, Amsterdam), pp 281–297, 1999
321. Atomic structure of disordered materials. MT Dove and DA
Keen. in Microscopic properties and processes in minerals (ed. CRA
Catlow and K Wright, Riedel, Amsterdam), pp 371–387, 1999
322. Introduction to the theory of displacive phase transitions.
MT Dove. in Microscopic properties and processes in minerals (ed.
CRA Catlow and K Wright, Riedel, Amsterdam), pp 427–450, 1999
323. Order/disorder phenomena in minerals: ordering phase
transitions and solid solutions. MT Dove. in Microscopic properties
and processes in minerals (ed. CRA Catlow and K Wright, Riedel,
Amsterdam), pp 451–475, 1999
324. Computer simulations of solid solutions. MT Dove. In Solid
Solutions in Silicate and Oxide Systems (EMU Notes in Mineralogy,
volume 3), ed. CA Geiger, (Eötvös University Press, Budapest), pp
225–250, 2001
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325. Total scattering and Reverse Monte Carlo modelling of
disordered crystalline materials. MG Tucker, MT Dove and DA Keen.
In From semiconductors to proteins: beyond the average stucture (ed
SJL Billinge and MF Thorpe; Kluwer Academic/Plenum, New York), pp
85–103, 2002
326. Reverse Monte Carlo methods. MT Dove, MG Tucker, SA Wells
and DA Keen. EMU Notes in Mineralogy, volume 4, pp 59–82, 2003
327. An introduction to atomistic simulation methods. MT Dove.
In Seminarios de la Sociedad Española de Mineralogía volume 4
(Computer Methods in Mineralogy and Geochemistry), pp 7–37,
2008
328. Introduction to the theory of lattice dynamics. MT Dove.
JDN, 12, 123–159, 2011
Articles published in reports and bulletins
329. Orientational disorder in non-ionic crystals. MT Dove. ODIC
Newletter 6, (2) 6–13, 1987
330. Phase transitions in minerals. MT Dove. ISIS Annual Report,
1990 pp 41–46
331. Low-frequency modes in amorphous and crystalline
frameworks. IP Swainson and MT Dove. ODIS Newsletter 9, (4) 17–21,
1994
332. Earth Sciences. G Artioli, JM Besson, MT Dove, CA Geiger, R
Rinaldi and W Schaefer. in Scientific Prospects for Neutron
Scattering with Present and Future Sources (ESF Framework Studies
into Large Research Facilities) (ISBN 2-903148-90-2, ESF,
Strasbourg), pp 94–108, 1996
333. Use of central radiation facilities in the Earth and
Environmental Sciences. MT Dove and SAT Redfern. Mineralogical
Society Bulletin 113, 21–24, 1996
334. New light on the dynamics of silicate glasses. MT Dove and
MJ Harris. in ISIS 96, The ISIS Facility Annual Report 1995–96 pp
48–49, 1996
335. Theoretical mineralogy? MT Dove. Mineralogical Society
Bulletin 117, 9–11, 1997
336. Local structures of silica polymorphs. DA Keen and MT Dove.
in ISIS 98, The ISIS Facility Annual Report 1997–98, pp 44–45,
1998
337. High-pressure studies of cristobalite. MT Dove, M Tucker, S
Redfern, K Trachenko, W Marshall and D Keen. ISIS Annual Report
2000, pp 32–33
338. Nouveaux dispositifs pour les études in situ de diffraction
neutronique sous hautes pression et température avec mesure de la
température par absorption neutronique. Y Le Godec, MT Dove, SAT
Redfern, G Syfosse, MG Tucker, and WG Marshall. in Forum de
technologie des hautes pressions (CNRS edition, May 2002), pp.
83–89
339. The eMinerals minigrid: An infrastructure to support
molecular simulation scientists. MT Dove. ERCIM News 59, 48–49,
2004
340. DL_POLY_3: science on a grand scale via massively
parallelised molecular dynamics simulations. IT Todorov, W Smith, K
Trachenko and MT Dove. Capability Computing 6, 12–14, 2005
Last update: 31 December 2015
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