Use of effective potentials to simulate self-diffusion in silica

被引：0

作者：

Lagraa, A ^{[1
]}

Capron, N ^{[1
]}

Carniato, S ^{[1
]}

Boureau, G ^{[1
]}

机构：

[1] Univ Paris 06, UMR 7614, Lab Chim Phys Mat & Rayonnement, F-75231 Paris 05, France

来源：

RADIATION EFFECTS AND DEFECTS IN SOLIDS | 1999年 / 151卷 / 1-4期

关键词：

simulation; self diffusion; effective potentials; silica;

D O I：

10.1080/10420159908245960

中图分类号：

TL [原子能技术]; O571 [原子核物理学];

学科分类号：

0827 ; 082701 ;

摘要：

Using recent ab initio studies, we define the criteria which should have to be met by effective potentials to be of some help in the study of self-diffusion of oxygen (energy, partial molar volume and relaxation). Unfortunately, generally the effective potentials are not able to provide a good representation of defective solids. Some changes have been proposed to make them of some help.

引用

页码：229 / 233

页数：5

共 50 条

[21] SELF-DIFFUSION IN ZINC
HUNTINGTON, HB
SHIRN, GA
WAJDA, ES
PHYSICAL REVIEW, 1952, 87 (01): : 211 - 211
[22] SELF-DIFFUSION IN SELENIUM
BOLTAKS, BI
PLACHENOV, BT
SOVIET PHYSICS-TECHNICAL PHYSICS, 1957, 2 (10): : 2071 - 2073
[23] SELF-DIFFUSION IN SELENIUM
BRATTER, P
GOBRECHT, H
PHYSICA STATUS SOLIDI, 1970, 37 (02): : 869 - &
[24] SELF-DIFFUSION IN INSB
SIETHOFF, H
PHYSICS LETTERS A, 1979, 71 (2-3) : 265 - 266
[25] SELF-DIFFUSION IN LIQUIDS
HERTZ, HG
BERICHTE DER BUNSEN-GESELLSCHAFT FUR PHYSIKALISCHE CHEMIE, 1971, 75 (3-4): : 183 - &
[26] SELF-DIFFUSION IN SODIUM
MCLELLAN, RB
ANGEL, YC
SCRIPTA METALLURGICA ET MATERIALIA, 1995, 33 (06): : 945 - 948
[27] Self-diffusion in copper
Rollin, BV
PHYSICAL REVIEW, 1939, 55 (02): : 0231 - 0231
[28] SELF-DIFFUSION IN CHROMIUM
ASKILL, J
TOMLIN, DH
PHILOSOPHICAL MAGAZINE, 1965, 11 (111): : 467 - &
[29] SELF-DIFFUSION IN INDIUM
DICKEY, JE
ACTA METALLURGICA, 1959, 7 (05): : 350 - 353
[30] SELF-DIFFUSION IN GRAPHITE
MAYER, RM
THROWER, PA
CARBON, 1972, 10 (03) : 352 - &

← 1 2 3 4 5 →