AN IMPROVED MOLECULAR-DYNAMICS SCHEME FOR ION-BOMBARDMENT SIMULATIONS

被引：23
|
作者：
MARQUES, LA
RUBIO, JE
JARAI, M
ENRIQUEZ, L
BARBOLLA, J
机构：
[1] Dept. de E. y Electrónica, Facultad de Ciencias, Universidad de Valladolid
来源：
NUCLEAR INSTRUMENTS & METHODS IN PHYSICS RESEARCH SECTION B-BEAM INTERACTIONS WITH MATERIALS AND ATOMS | 1995年 / 102卷 / 1-4期
关键词：
D O I：
10.1016/0168-583X(95)80108-X
中图分类号：
TH7 [仪器、仪表];
学科分类号：
0804 ; 080401 ; 081102 ;
摘要：
We have developed a method that reduces the CPU time required in molecular dynamics simulations of ion bombardment processes. This method is based on the selective integration of the particles of the system depending on their energy. Low energy particles are integrated less frequently than the high energy ones. In order to test our scheme we have carried out simulations of Ar+ bombardment of Si(100) at 300 K. Using this method gain factors up to 5.9 in computation speed have been achieved. The accuracy of the results was satisfactory in terms of total energy conservation and of the description of the individual trajectories of the atoms along the simulation.
引用
收藏
页码：7 / 11
页数：5
相关论文
共 50 条
  • [1] MOLECULAR-DYNAMICS SIMULATION OF CLUSTER ION-BOMBARDMENT OF SOLID-SURFACES
    INSEPOV, Z
    YAMADA, I
    [J]. NUCLEAR INSTRUMENTS & METHODS IN PHYSICS RESEARCH SECTION B-BEAM INTERACTIONS WITH MATERIALS AND ATOMS, 1995, 99 (1-4): : 248 - 252
  • [2] MOLECULAR-DYNAMICS STUDY OF SPUTTERING OF CU(111) UNDER AR ION-BOMBARDMENT
    BETZ, G
    KIRCHNER, R
    HUSINSKY, W
    RUDENAUER, F
    URBASSEK, HM
    [J]. RADIATION EFFECTS AND DEFECTS IN SOLIDS, 1994, 130 : 251 - 266
  • [3] SURFACE EFFECTS ON DAMAGE PRODUCTION DURING ION-BOMBARDMENT - A MOLECULAR-DYNAMICS STUDY
    GHALY, M
    AVERBACK, RS
    DELARUBIA, TD
    [J]. NUCLEAR INSTRUMENTS & METHODS IN PHYSICS RESEARCH SECTION B-BEAM INTERACTIONS WITH MATERIALS AND ATOMS, 1995, 102 (1-4): : 51 - 57
  • [4] THE FORMATION OF VACANCY-TYPE DEFECT CLUSTERS BY ION-BOMBARDMENT - A PROBLEM REVISITED BY MOLECULAR-DYNAMICS
    GHALY, M
    AVERBACK, RS
    [J]. JOURNAL OF PHYSICS AND CHEMISTRY OF SOLIDS, 1994, 55 (10) : 945 - 953
  • [5] MOLECULAR-DYNAMICS SIMULATIONS OF DEEP PENETRATION BY CHANNELED IONS DURING LOW-ENERGY ION-BOMBARDMENT OF III-V SEMICONDUCTORS
    STOFFEL, NG
    [J]. JOURNAL OF VACUUM SCIENCE & TECHNOLOGY B, 1992, 10 (02): : 651 - 658
  • [6] Molecular dynamics simulations of ion bombardment processes
    Marques, LA
    Jaraiz, M
    Rubio, JE
    Vicente, J
    Bailon, LA
    Barbolla, J
    [J]. MATERIALS SCIENCE AND TECHNOLOGY, 1997, 13 (11) : 893 - 896
  • [7] KEV PARTICLE BOMBARDMENT OF SOLIDS - MOLECULAR-DYNAMICS SIMULATIONS AND BEYOND
    BERNARDO, DN
    BHATIA, R
    GARRISON, BJ
    [J]. COMPUTER PHYSICS COMMUNICATIONS, 1994, 80 (1-3) : 259 - 273
  • [8] AN OPTIMIZATION SCHEME FOR MOLECULAR-DYNAMICS SIMULATIONS OF RADIATION EFFECTS
    ZHU, H
    AVERBACK, RS
    [J]. NUCLEAR INSTRUMENTS & METHODS IN PHYSICS RESEARCH SECTION B-BEAM INTERACTIONS WITH MATERIALS AND ATOMS, 1993, 83 (03): : 334 - 338
  • [9] EFFECT OF GAS IMPURITY AND ION-BOMBARDMENT ON STRESSES IN SPUTTER-DEPOSITED THIN-FILMS - A MOLECULAR-DYNAMICS APPROACH
    FANG, CC
    JONES, F
    PRASAD, V
    [J]. JOURNAL OF APPLIED PHYSICS, 1993, 74 (07) : 4472 - 4482
  • [10] CLASSICAL DYNAMICS STUDY OF THE ION-BOMBARDMENT OF ICE
    BRENNER, DW
    GARRISON, BJ
    [J]. PHYSICAL REVIEW B, 1986, 34 (08): : 5782 - 5787
12345