Dh. Tsai et Rw. Armstrong, DEFECT-ENHANCED STRUCTURAL RELAXATION MECHANISM FOR THE EVOLUTION OF HOT-SPOTS IN RAPIDLY COMPRESSED CRYSTALS, Journal of physical chemistry, 98(43), 1994, pp. 10997-11000
The evolution of hot spots at defects in a 3D fee lattice under rapid
1D compression along different crystallographic directions has been st
udied by mean of molecular dynamics. Hot spots were generated in monat
omic and molecular crystals when the strain energy released through de
fect-mediated structural relaxation was locally converted to heat. Thu
s, hot spot temperatures are shown to be controlled by the potential e
nergy source of the strained lattice and by the allowed extent of stru
ctural relaxation.