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
  • [31] COMPUTER-SIMULATION OF AROMATIC POLYESTERS INCLUDING MOLECULAR-DYNAMICS
    DEPNER, M
    SCHURMANN, BL
    POLYMER, 1992, 33 (02) : 398 - 404
  • [32] MOLECULAR-DYNAMICS SIMULATION STUDIES OF THE MERCURY-WATER INTERFACE
    BOCKER, J
    NAZMUTDINOV, RR
    SPOHR, E
    HEINZINGER, K
    SURFACE SCIENCE, 1995, 335 (1-3) : 372 - 377
  • [33] Molecular-dynamics simulation of structural properties of cubic boron nitride
    Moon, WH
    Son, MS
    Hwang, HJ
    PHYSICA B-CONDENSED MATTER, 2003, 336 (3-4) : 329 - 334
  • [34] MOLECULAR-DYNAMICS SIMULATION OF A PHOSPHOLIPASE-A2 SUBSTRATE COMPLEX
    JONES, ST
    AHLSTROM, P
    BERENDSEN, HJC
    PICKERSGILL, RW
    BIOCHIMICA ET BIOPHYSICA ACTA, 1993, 1162 (1-2) : 135 - 142
  • [35] Softening of nanocrystalline nanoporous platinum: A molecular dynamics simulation
    Xian, Yuehui
    Li, Jiejie
    Wu, Runni
    Xia, Re
    COMPUTATIONAL MATERIALS SCIENCE, 2018, 143 : 163 - 169
  • [36] Molecular dynamics simulation of platinum film growth based on thermal evaporation method
    Marimpul, Rinaldo
    Winata, Toto
    Noor, Fatimah Arofiati
    Syuhada, Ibnu
    Rosikhin, Ahmad
    3RD MATERIALS RESEARCH SOCIETY OF INDONESIA MEETING (MRS-ID 2018), 2019, 622
  • [37] Coarse molecular-dynamics analysis of an order-to-disorder transformation of a krypton monolayer on graphite
    Amat, Miguel A.
    Arienti, Marco
    Fonoberov, Vladimir A.
    Kevrekidis, Ioannis G.
    Maroudas, Dimitrios
    JOURNAL OF CHEMICAL PHYSICS, 2008, 129 (18)
  • [38] MICROSCOPIC HOLES IN LICL GLASS - A RESEARCH BASED ON MOLECULAR-DYNAMICS SIMULATION
    SHAO, J
    TANG, ZQ
    CHINESE SCIENCE BULLETIN, 1991, 36 (11): : 911 - 914
  • [39] Polyamorphic transformation of silicon in first-principles molecular-dynamics simulation
    Morishita, Tetsuya
    JOURNAL OF NON-CRYSTALLINE SOLIDS, 2007, 353 (32-40) : 3463 - 3466
  • [40] MOLECULAR-DYNAMICS SIMULATION OF THERMAL MOTION AND ELASTICITY OF A POLYMER-CHAIN
    YAMAMOTO, S
    MATSUOKA, T
    FUKUMORI, K
    TAKAHASHI, H
    KURAUCHI, T
    KOBUNSHI RONBUNSHU, 1994, 51 (06) : 365 - 370
12345