MOLECULAR-DYNAMICS SIMULATION OF PLATINUM PARTICLES BETWEEN GRAPHITE WALLS

被引：6
|
作者：
LIEM, SY
CHAN, KY
SAVINELL, RF
机构：
[1] UNIV HONG KONG,DEPT CHEM,POKFULAM RD,HONG KONG,HONG KONG
[2] CASE WESTERN RESERVE UNIV,DEPT CHEM ENGN,CLEVELAND,OH 44106
来源：
MOLECULAR SIMULATION | 1994年 / 13卷 / 01期
关键词：
MOLECULAR DYNAMICS; PLATINUM; CARBON GRAPHITE WALL; ADSORPTION;
D O I：
10.1080/08927029408022184
中图分类号：
O64 [物理化学（理论化学）、化学物理学];
学科分类号：
070304 ; 081704 ;
摘要：
We report preliminary molecular dynamics simulations results for platinum atoms confined between two parallel graphite surfaces. The system shows phase transition characteristics corresponding to a second order transition. Significant structural changes are also observed in the range of temperature studied. We have also investigated the effects of two different Pt-wall interaction potentials: the 9-3 form suggested by Crowell and the 10-4 form originally proposed by Steele. The results show that the two systems have rather different structural characteristics but similar thermodynamic behaviour.
引用
收藏
页码：47 / 60
页数：14
相关论文
共 50 条
  • [21] Embryonic forms of nickel: a molecular-dynamics computer simulation
    El-Bayyari, Z
    JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM, 2005, 716 (1-3): : 165 - 174
  • [22] The interface between platinum(111) and poly(vinyl alcohol) melt:: A molecular dynamics study
    Tarmyshov, Konstantin B.
    Mueller-Plathe, Florian
    SOFT MATERIALS, 2007, 5 (2-3) : 135 - 154
  • [23] Analyses of Interaction between Platinum Bonded LARFH and Gold Surface by Molecular Dynamics Simulation
    Watabe, Mao
    Nobuoka, Keiichi
    Yamada, Hironao
    Miyakawa, Takeshi
    Morikawa, Ryota
    Takasu, Masako
    Uchida, Tatsuya
    Yamagishi, Akihiko
    PROCEEDINGS OF 2020 10TH INTERNATIONAL CONFERENCE ON BIOSCIENCE, BIOCHEMISTRY AND BIOINFORMATICS (ICBBB 2020), 2020, : 101 - 106
  • [24] Molecular dynamics simulation of interactions between a nano water droplet and an isothermal platinum surface
    Yang, Tzung Han
    Pan, Chin
    Hsieh, Hon Ming
    2008 3RD IEEE INTERNATIONAL CONFERENCE ON NANO/MICRO ENGINEERED AND MOLECULAR SYSTEMS, VOLS 1-3, 2008, : 1131 - +
  • [25] MOLECULAR-DYNAMICS SIMULATION OF CRACK-TIP PROCESSES IN COPPER
    ZHANG, YW
    WANG, TC
    TANG, QH
    ACTA MECHANICA SINICA, 1995, 11 (01) : 76 - 82
  • [26] Molecular-dynamics study of physical properties in sintered nano-particles
    Kadau, K.
    Lomdahl, P. S.
    Entel, P.
    Kadau, D.
    Kreth, M.
    Germann, T. C.
    Holian, B. L.
    Westerhoff, F.
    Wolf, D. E.
    ICCN 2002: INTERNATIONAL CONFERENCE ON COMPUTATIONAL NANOSCIENCE AND NANOTECHNOLOGY, 2002, : 338 - 339
  • [27] Ab initio molecular-dynamics simulation method for complex liquids
    Shimojo, F
    Hoshino, K
    Zempo, Y
    COMPUTER PHYSICS COMMUNICATIONS, 2001, 142 (1-3) : 364 - 367
  • [28] Molecular-dynamics simulation of threshold displacement energies in lithium aluminate
    Tsuchihira, H.
    Oda, T.
    Tanaka, S.
    NUCLEAR INSTRUMENTS & METHODS IN PHYSICS RESEARCH SECTION B-BEAM INTERACTIONS WITH MATERIALS AND ATOMS, 2011, 269 (14) : 1707 - 1711
  • [29] MOLECULAR-DYNAMICS SIMULATION OF ADSORPTION IN ELECTRIC DOUBLE-LAYERS
    PHILPOTT, MR
    GLOSLI, JN
    ZHU, SB
    SURFACE SCIENCE, 1995, 335 (1-3) : 422 - 431
  • [30] MOLECULAR-DYNAMICS SIMULATION OF THE GROWTH OF DIAMOND-LIKE FILMS
    KAUKONEN, MO
    NIEMINEN, RM
    SURFACE SCIENCE, 1995, 331 : 975 - 977
12345