Optimization of large amorphous silicon and silica structures for molecular dynamics simulations of energetic impacts

被引：7
|
作者：
Samela, Juha [1 ,2 ]
Norris, Scott A. [3 ]
Nordlund, Kai [1 ,2 ]
Aziz, Michael J. [4 ]
机构：
[1] Univ Helsinki, Dept Phys, FI-00014 Helsinki, Finland
[2] Univ Helsinki, Helsinki Inst Phys, FI-00014 Helsinki, Finland
[3] So Methodist Univ, Dallas, TX 75205 USA
[4] Harvard Univ, Sch Engn & Appl Sci, Cambridge, MA 02138 USA
来源：
NUCLEAR INSTRUMENTS & METHODS IN PHYSICS RESEARCH SECTION B-BEAM INTERACTIONS WITH MATERIALS AND ATOMS | 2011年 / 269卷 / 14期
关键词：
Molecular-dynamics simulation; Silicon; Silica; Amorphous network; VITREOUS SILICA; SI; SYSTEMS; BOMBARDMENT; PHASES;
D O I：
10.1016/j.nimb.2010.11.017
中图分类号：
TH7 [仪器、仪表];
学科分类号：
0804 ; 080401 ; 081102 ;
摘要：
A practical method to create optimized amorphous silicon and silica structures for molecular dynamics simulations is developed and tested. The method is based on the Wooten, Winer, and Weaire algorithm and combination of small optimized blocks to larger structures. The method makes possible to perform simulations of either very large cluster hypervelocity impacts on amorphous targets or small displacements induced by low energy ion impacts in silicon. (C) 2010 Elsevier B.V. All rights reserved.
引用
收藏
页码：1568 / 1571
页数：4
相关论文
共 50 条
  • [1] Classical molecular dynamics simulations of hypervelocity nanoparticle impacts on amorphous silica
    Samela, Juha
    Nordlund, Kai
    PHYSICAL REVIEW B, 2010, 81 (05)
  • [2] Boron ripening in amorphous silicon by large scale molecular dynamics simulations
    Mattoni, A
    Colombo, L
    Meloni, S
    Federico, A
    Rosati, M
    COMPUTATIONAL MATERIALS SCIENCE, 2004, 30 (1-2) : 143 - 149
  • [3] Molecular dynamics simulations of fracture in amorphous silica
    Wang, JH
    Omeltchenko, A
    Kalia, RK
    Vashishta, P
    STRUCTURE AND DYNAMICS OF GLASSES AND GLASS FORMERS, 1997, 455 : 267 - 272
  • [4] GENERATION OF AMORPHOUS-SILICON STRUCTURES WITH USE OF MOLECULAR-DYNAMICS SIMULATIONS
    BISWAS, R
    GREST, GS
    SOUKOULIS, CM
    PHYSICAL REVIEW B, 1987, 36 (14): : 7437 - 7441
  • [5] Molecular dynamics simulations of amorphous carbon structures
    Kohary, K
    Kugler, S
    Laszlo, I
    JOURNAL OF NON-CRYSTALLINE SOLIDS, 1998, 227 : 594 - 596
  • [6] Molecular dynamics simulations of amorphous carbon structures
    Kohary, Krisztian
    Kugler, Sandor
    Laszlo, Istvan
    Journal of Non-Crystalline Solids, 227-230 (Pt A): : 594 - 596
  • [7] Classical molecular dynamics simulations of amorphous silica surfaces
    Rarivomanantsoa, M
    Jund, P
    Jullien, R
    JOURNAL OF PHYSICS-CONDENSED MATTER, 2001, 13 (31) : 6707 - 6718
  • [8] Molecular Dynamics Simulations for a Pentacene Monolayer on Amorphous Silica
    Della Valle, Raffaele Guido
    Venuti, Elisabetta
    Brillante, Aldo
    Girlando, Alberto
    CHEMPHYSCHEM, 2009, 10 (11) : 1783 - 1788
  • [9] Molecular dynamics simulations of vitreous silica structures
    Takada, A
    Richet, P
    Catlow, CRA
    Price, GD
    JOURNAL OF NON-CRYSTALLINE SOLIDS, 2004, 345 : 224 - 229
  • [10] Molecular dynamics simulations of vibrational lifetimes in amorphous silicon
    Bickham, SR
    Feldman, JL
    PHILOSOPHICAL MAGAZINE B-PHYSICS OF CONDENSED MATTER STATISTICAL MECHANICS ELECTRONIC OPTICAL AND MAGNETIC PROPERTIES, 1998, 77 (02): : 513 - 521
12345