INVESTIGADORES
BRINGA Eduardo Marcial
artículos
Título:
Simulating picosecond x-ray diffraction from shocked crystals using post-processing molecular dynamics calculations
Autor/es:
G. KIMMINAU; B. NAGLER; A. HIGGINGBOTHAM; E. BRINGA; ET. AL.
Revista:
JOURNAL OF PHYSICS CONDENSED MATTER
Editorial:
IOP PUBLISHING LTD
Referencias:
Año: 2008 vol. 20 p. 505203 - 505211
ISSN:
0953-8984
Resumen:
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.