Visualization and analysis of atomistic simulation data with OVITO-the Open Visualization Tool

Modelling and Simulation in Materials Science and Engineering

Volumn 18, Issue 1, 2010, Pages

  Stukowski, Alexander ^a  

^a DARMSTADT UNIVERSITY OF TECHNOLOGY   (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

3D VISUALIZATION; ATOMISTIC DATA; ATOMISTIC SIMULATIONS; MONTE CARLO SIMULATION; OBJECT ORIENTED; OPEN-SOURCE SOFTWARES; PLUG-INS; POST PROCESSING; VISUALIZATION AND ANALYSIS; VISUALIZATION TOOLS;

COMPUTER SIMULATION; DATA VISUALIZATION; GRAPHICAL USER INTERFACES; MOLECULAR DYNAMICS; MONTE CARLO METHODS; OBJECT ORIENTED PROGRAMMING; THREE DIMENSIONAL COMPUTER GRAPHICS; VISUALIZATION;

COMPUTER SOFTWARE;

EID: 76349109280     PISSN: 09650393     EISSN: 1361651X     Source Type: Journal    
DOI: 10.1088/0965-0393/18/1/015012     Document Type: Article

References (15)

1. Sayle R A and Milner-White E J 1995 Rasmol: biomolecular graphics for all Trends Biochem. Sci. 20 374-6
2. Li J 2003 Atomeye: an efficient atomistic configuration viewer Modelling Simul. Mater. Sci. Eng. 11 173-7 http://mt.seas.upenn.edu/Archive/Graphics/A/
3. Humphrey W, Dalke A and Schulten K 1996 VMD-Visual Molecular Dynamics J. Mol. Graph. 14 33-8 http://www.ks.uiuc.edu/Research/vmd/
4. ® visualization software (VSG, Visualization Science Group)
5. Persistence of Vision Pty. Ltd. Persistence of vision raytracer (version 3.6) [computer software]. Retrieved from http://www.povray.org/
6. Tarini M, Cignoni P and Montani C 2006 Ambient occlusion and edge cueing for enhancing real time molecular visualization IEEE Trans. Vis. Comput. Graph. 12 1237-44
7. Honeycutt J D and Andersen H C 1987 Molecular dynamics study of melting and freezing of small Lennard-Jones clusters J. Phys. Chem. 91 4950-63
8. Ackland G J and Jones A P 2006 Applications of local crystal structure measures in experiment and simulation Phys. Rev. B 73 054104
9. Stukowski A, Markmann J, Weissmüller J and Albe K 2008 Atomistic origin of microstrain broadening in diffraction data of nanocrystalline solids Acta Mater. 57 1648-54
10. Shimzu F, Ogata S and Li J 2007 Theory of shear banding in metallic glasses and molecular dynamics calculations Mater. Trans. 48 2923-7
11. Unofficial XYZ file format specification http://en.wikipedia.org/wiki/ XYZ-file-format
12. Plimpton S 1995 Fast parallel algorithms for short-range molecular dynamics J. Comput. Phys. 117 1 Software available at http://lammps.sandia.gov/
13. Stadler J, Mikulla R and Trebin H-R 1997 IMD: a software package for molecular dynamics studies on parallel computers Int. J. Mod. Phys. C 8 1131-40
14. Kresse G and Furthmüller J 1996 Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set Phys. Rev. B 54 11169
15. Van Rossum G Python language website http://www.povray.org/