Impacts into cosmic ice surfaces: A molecular-dynamics study using the Reax force field

被引：18
|
作者：
Anders, Christian
Urbassek, Herbert M. [1 ]
机构：
[1] Univ Kaiserslautern, Dept Phys, D-67663 Kaiserslautern, Germany
来源：
NUCLEAR INSTRUMENTS & METHODS IN PHYSICS RESEARCH SECTION B-BEAM INTERACTIONS WITH MATERIALS AND ATOMS | 2013年 / 303卷
关键词：
Sputtering; Molecular dynamics; Ice; ATOMIC-COLLISIONS; SIMULATIONS; SOLIDS; GRAINS;
D O I：
10.1016/j.nimb.2012.10.015
中图分类号：
TH7 [仪器、仪表];
学科分类号：
0804 ; 080401 ; 081102 ;
摘要：
We present molecular-dynamics simulations of collisions of cosmic ice mixtures (H2O, CO2, CH4, NH3). Both cluster-cluster collisions and the impact of a Ne ion into a flat target are studied. The Reax force field, which allows for chemical reactions among the species, is employed. We monitor and discuss the reactions occurring as well as the number of radicals, fragments and intermediate reaction products. (C) 2012 Elsevier B.V. All rights reserved.
引用
收藏
页码：200 / 204
页数：5
相关论文
共 50 条
  • [41] POTENTIAL-ENERGY SURFACES IN MOLECULAR-DYNAMICS
    FISER, J
    POLAK, R
    VOJTIK, J
    CHEMICKE LISTY, 1986, 80 (11): : 1121 - 1142
  • [42] MOLECULAR-DYNAMICS SIMULATIONS OF REACTIONS AT SILICON SURFACES
    GARRISON, BJ
    ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 1991, 201 : 107 - PHYS
  • [43] A MOLECULAR-DYNAMICS SIMULATION STUDY OF OCTOPOLES IN THE FIELD OF A PLANAR SURFACE
    ALLEN, MP
    MOLECULAR PHYSICS, 1984, 52 (03) : 717 - 732
  • [44] MOLECULAR-DYNAMICS STUDY OF SODIUM USING A MODEL PSEUDOPOTENTIAL
    SWANSON, RE
    STRAUB, GK
    HOLIAN, BL
    BULLETIN OF THE AMERICAN PHYSICAL SOCIETY, 1981, 26 (04): : 662 - 662
  • [45] MOLECULAR-DYNAMICS STUDY OF SODIUM USING A MODEL PSEUDOPOTENTIAL
    SWANSON, RE
    STRAUB, GK
    HOLIAN, BL
    AIP CONFERENCE PROCEEDINGS, 1982, (78) : 241 - 245
  • [46] Molecular Dynamics Study of Hydrogen Dissociation on Pd Surfaces using Reactive Force Fields
    Sun, Yue-mei
    Shen, Xiang-jian
    Yan, Xiao-hong
    CHINESE JOURNAL OF CHEMICAL PHYSICS, 2017, 30 (01) : 71 - 76
  • [47] A test of improved force field parameters for urea: molecular-dynamics simulations of urea crystals
    Gül Altınbaş Özpınar
    Frank R. Beierlein
    Wolfgang Peukert
    Dirk Zahn
    Timothy Clark
    Journal of Molecular Modeling, 2012, 18 : 3455 - 3466
  • [48] A test of improved force field parameters for urea: molecular-dynamics simulations of urea crystals
    Ozpinar, Gul Altinbas
    Beierlein, Frank R.
    Peukert, Wolfgang
    Zahn, Dirk
    Clark, Timothy
    JOURNAL OF MOLECULAR MODELING, 2012, 18 (08) : 3455 - 3466
  • [49] UFF, A FULL PERIODIC-TABLE FORCE-FIELD FOR MOLECULAR MECHANICS AND MOLECULAR-DYNAMICS SIMULATIONS
    RAPPE, AK
    CASEWIT, CJ
    COLWELL, KS
    GODDARD, WA
    SKIFF, WM
    JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1992, 114 (25) : 10024 - 10035
  • [50] Molecular mechanics and molecular dynamics study on azurin using extensible and systematic force field (ESFF)
    Rajapandian, V.
    Raman, S. Sundar
    Hakkim, V.
    Parthasarathi, R.
    Subramanian, V.
    JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM, 2009, 907 (1-3): : 1 - 8
12345