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Using nonequilibirum molecular dynamics, we investigate the particle displacements and structural transformations that occur in single crystal silicon when indented with an atomically-sharp diamond tool-bit. We then use image synthesis to visualize atoms in several stressed silicon. Experimentally, these transformations are analyzed with electron or x-ray diffractometry. Using massively parallel computers, we simulate both diffraction techniques.
visualization techniques, molecular dynamics, electron diffractometry, x-ray diffractometry
Carol G. Hoover, Frederick Wooten, Jeffrey S. Kallman, Anthony J. De Groot, Susanne M. Lee, William G. Hoover, "Visualization Techniques for Molecular Dynamics", IEEE Computer Graphics and Applications, vol. 15, no. , pp. 72-77, November 1995, doi:10.1109/38.469512
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