Molecular dynamics simulations of the Debye-Waller effect in shocked copper
Phys. Rev. B Condens. Matter Mater. Phys. 78:1 (2008)
Abstract:
We present an analysis of the directionally dependent x-ray structure factors (and, hence, intensities) predicted by nonequilibrium molecular dynamics simulations of statically compressed and shocked single crystals of copper, and comment on the feasibility of using experimentally measured intensities to infer temperature information. We further consider the behavior of the diffracted intensity from isentropically compressed samples. © 2008 The American Physical Society.Shocked materials at the intersection of experiment and simulation
Lecture Notes in Computational Science and Engineering Springer Nature 68 (2008) 159-186
Shocked materials at the intersection of experiment and simulation
SCIENTIFIC MODELING AND SIMULATIONS 15:1-3 (2008) 159-186
Simulating picosecond x-ray diffraction from shocked crystals using post-processing molecular dynamics calculations
J Phys Condens Matter 20:50 (2008)
Abstract:
Calculations of the patterns of x-ray diffraction from shocked crystals derived from the results of non-equilibrium molecular dynamics (NEMD) simulations are presented. The atomic coordinates predicted from the NEMD simulations combined with atomic form factors are used to generate a discrete distribution of electron density. A fast Fourier transform (FFT) of this distribution provides an image of the crystal in reciprocal space, which can be further processed to produce quantitative simulated data for direct comparison with experiments that employ picosecond x-ray diffraction from laser-irradiated crystalline targets. © 2008 IOP Publishing Ltd.Prediction of Net Energy Gain in Deuterium-Beam Interactions with an Inertially Confined Plasma
Physical Review Letters American Physical Society (APS) 99:25 (2007) 255003