A Visualization Framework For Earth Materials Studies Bijaya Bahadur Karki Graduate Students: Dipesh Bhattarai and Gaurav Khanduja Department of Computer Science Department of Geology and Geophysics Louisiana State University, Baton Rouge, LA 70803 2nd Workshop: Minneapolis, August 5-10, 2007
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A Visualization Framework For Earth Materials Studies Bijaya Bahadur Karki Graduate Students: Dipesh Bhattarai and Gaurav Khanduja Department of Computer.
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A Visualization Framework For Earth Materials Studies
Bijaya Bahadur Karki
Graduate Students: Dipesh Bhattarai and Gaurav Khanduja
Department of Computer ScienceDepartment of Geology and Geophysics
• Process of making a computer image for gaining insight onto data/information– Transform abstract, physical data/information to a form that can be seen (i.e., visual representation)
• Numerous visualization systems exist– None of them may be good enough– Lack of desired functionality and flexibility
• How to meet domain-specific needs– Presentation and interactivity– On-the-fly data processing– Multiple sets of data– Visualization with database– Remote and collaborative visualization– Visualization/computational steering
Current Visualization Activities
• Multiple datasets visualization (MDV)– Electron density distribution
• Space-time multi-resolution (STMR) visualization– Atomic structure and dynamics
• Remote visualization– Elastic moduli and wave propagation
Multiple Datasets Visualization
Simultaneous rendering of more than one set of data to examine cross-correlation among them
Spatial and temporal information on Si-O coordination
Coordination-Encoding
2 3 4 5 6Color map
Three-, four- and five-fold coordination
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nniαβ = 1 ≤ j ≤ na : d(i, j) ≤ rmin
αβ ∧type( j) = β{ }
Coordination Stability
The lines (thickness encoding the bond stability) and center atoms (size encoding the coordination stability) are color-coded to represent, respectively, the length distribution and coordination states. The stability represents the fraction of the total simulation time over which a given bond or coordination state exists.
Bhattarai and Karki, ACMSE 2007
2 3 4 5 6Color map
Stability of Different Coordination
3 4 5 6
16 coordination states
Four types exist
0 1 2 3
4 5 6 7
8 9 10 11
12 13 14 15
Coordination Cluster
The lines (thickness encoding the bond stability) and center atoms (size encoding the coordination stability) are color-coded to represent, respectively, the length distribution and coordination states. The stability represents the fraction of the total simulation time over which a given bond or coordination state exists.
Spatial and temporal information on Si-O coordination
Bhattarai and Karki, ACMSE 2007
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NN iαβ = nni
αβ ( jΔt)j =0
j =N
U
Coordination Cluster Per Atom
Spatial and temporal information on Si-O coordination
Coordination Visualization
16 different pair correlation structures
Cutoff distances from partial RDFs
Si-O
Coordination environment
Coordination stability
Coordination clusters
Radial distribution functions
Atomic species: spheres
Given atomic system: Hydrous MgSiO3 liquid
Visualizing Dynamics
Diffusion in 80-atoms liquid MgSiO3
Spheres for atomic displacements Ellipsoids for covariance matrices
Diffusion in 64-atoms liquid MgO
Bhattarai and Karki, ACMSE 2007
Elasticity visualization
Remote execution
Visualization and database server
Online data reposition
Elasticity Visualization - ElasViz
• Multivariate elastic moduli – Variation with pressure, temperature and composition
• Elastic wave propagation in an anisotropic medium– Velocity-direction surfaces– Anisotropic factors
Karki and Chennamsetty, Vis. Geosci., 2004
ReadData
CijPlot
Modules of ElasViz
GenerateDirection GenerateVelocity
AnPlotDrawVelocity
Other Modules Display
Global Visualization Mode
Selective Visualization Mode
Summary
• Visualization for gaining insight into a variety of datasets for important minerals properties and processes – Increasing amounts of data from simulations and other resources.
• Important visualization systems under development: – Elasticity, atomic and electronic data
• A lot needs to be done:– Adding more functionalities– Merging atomistic and electronic components– Extending for remote and distributed access– Adopting in virtual (immersive) environment.
Support from NSF (EAR 0347204, ATM 0426601 and EAR 0409074).