Effects of Surface Force-Constant Changes on the Atomic Mean Square Displacements in Face-Centered Cubic Crystals with a Free Surface

1968 ◽  
Vol 167 (3) ◽  
pp. 652-658 ◽  
Author(s):  
R. F. Wallis ◽  
B. C. Clark ◽  
R. Herman
Langmuir ◽  
1999 ◽  
Vol 15 (10) ◽  
pp. 3642-3652 ◽  
Author(s):  
A. Patrykiejew ◽  
S. Sokołowski ◽  
T. Zientarski ◽  
K. Binder

1998 ◽  
Vol 12 (27n28) ◽  
pp. 2869-2879 ◽  
Author(s):  
V. I. Zubov ◽  
C. G. Rodrigues ◽  
M. F. Pascual

We study the interatomic correlations and mean square relative displacements (MSRD) in anharmonic crystals on the basis of the correlative method of unsymmetrized self-consistent field (CUSF). Here we present general formulae for crystals with the anharmonicity, including the strong one, up to the fourth anharmonic terms and perform calculations of the quadratic correlation moments (QCM) in a crystal with face centered cubic lattice, namely in solid Ar. The second order of CUSF allows one to investigate correlations in this lattice between the nearest, second, third and fourth neighbors. The anharmonicity was demonstrated to have strong effect on the interatomic correlations at temperatures above 0.4 of the melting temperature causing a drastic rise near the spinodal point. The dependence of QCM on the distance between atoms and on the crystallographic direction is discussed.


2005 ◽  
Vol 87 (25) ◽  
pp. 251919 ◽  
Author(s):  
Frederick Milstein ◽  
Jianhua Zhao ◽  
Somchart Chantasiriwan ◽  
Dimitrios Maroudas

Sign in / Sign up

Export Citation Format

Share Document