Atomistic simulation of a high-pressure phase of AgI using a three-body potential
مقال من تأليف: Sekkal, W. ; Aourag, H. ; Certier, M. ; Laref, A. ; Zaoui, A. ;
ملخص: The structural properties of AgI under high pressure and high temperature have been investigated using molecular dynamics simulation based on Tersoff's potential. Superionic behaviour appears in the rocksalt-structured phase of AgI at high pressure and high temperature. Its high-diffusion coefficients are calculated from the mean squared atomic displacements.
لغة:
إنجليزية