MOLECULAR-DYNAMICS CALCULATIONS OF ENERGY-TRANSFER TO POLYMER SURFACES

被引：5
|
作者：
GELB, A
SUMPTER, BG
NOID, DW
机构：
[1] OAK RIDGE NATL LAB,DIV CHEM,OAK RIDGE,TN 37831
[2] UNIV TENNESSEE,DEPT CHEM,KNOXVILLE,TN 37996
来源：
CHEMICAL PHYSICS LETTERS | 1990年 / 169卷 / 1-2期
基金：
美国国家航空航天局;
关键词：
D O I：
10.1016/0009-2614(90)85173-A
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：
Molecular dynamics simulations of collisions of nitrogen with a polyethylene surface are presented. Seven moving chains surrounded by 12 static chains are used to represent the polyethylene surfaces. Results are presented for collisional velocities between 2 and 10 km/s and compared to earlier results. © 1990.
引用
收藏
页码：103 / 108
页数：6
相关论文
共 50 条
  • [1] MOLECULAR-DYNAMICS SIMULATIONS OF ENERGY-TRANSFER IN SHOCKED MOLECULAR-SYSTEMS
    KARO, AM
    HARDY, JR
    INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 1986, : 763 - 765
  • [2] A MOLECULAR-DYNAMICS INVESTIGATION OF ENERGY-TRANSFER EFFICIENCY IN COLLISIONS OF DIATOMIC-MOLECULES
    ANDERSSON, LL
    DAVIDSSON, J
    NORDHOLM, S
    CHEMICAL PHYSICS, 1993, 174 (01) : 111 - 126
  • [3] THE INTERACTION STRENGTH DEPENDENCE OF DIATOMIC COLLISIONAL ENERGY-TRANSFER - A MOLECULAR-DYNAMICS STUDY
    DAVIDSSON, J
    NORDHOLM, S
    ANDERSSON, LL
    CHEMICAL PHYSICS LETTERS, 1992, 191 (05) : 489 - 496
  • [4] Molecular-dynamics simulations of polymer surfaces and interfaces
    Grest, GS
    Lacasse, MD
    Murat, M
    MRS BULLETIN, 1997, 22 (01) : 27 - 31
  • [5] Molecular-Dynamics Simulations of Polymer Surfaces and Interfaces
    Gary S. Grest
    Martin D. Lacasse
    Michael Murat
    MRS Bulletin, 1997, 22 : 27 - 32
  • [6] MOLECULAR-DYNAMICS AND ABINITIO TOTAL ENERGY CALCULATIONS
    PAYNE, MC
    JOANNOPOULOS, JD
    ALLAN, DC
    TETER, MP
    VANDERBILT, DH
    PHYSICAL REVIEW LETTERS, 1986, 56 (24) : 2656 - 2656
  • [7] DYNAMICS OF DISSOCIATION AND ENERGY-TRANSFER IN MOLECULAR-COLLISIONS WITH SOLID-SURFACES
    GERBER, RB
    AMIRAV, A
    JOURNAL OF PHYSICAL CHEMISTRY, 1986, 90 (19): : 4483 - 4491
  • [8] POTENTIAL-ENERGY SURFACES IN MOLECULAR-DYNAMICS
    FISER, J
    POLAK, R
    VOJTIK, J
    CHEMICKE LISTY, 1986, 80 (11): : 1121 - 1142
  • [9] WETTING OF CRYSTALLINE POLYMER SURFACES - A MOLECULAR-DYNAMICS SIMULATION
    FAN, CF
    CAGIN, T
    JOURNAL OF CHEMICAL PHYSICS, 1995, 103 (20): : 9053 - 9061
  • [10] ENERGY-TRANSFER AND DYNAMICS IN AROMATIC MOLECULAR CLUSTERS
    BABBITT, RJ
    MANGLE, EA
    MOTYKA, AL
    TOPP, MR
    ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 1986, 191 : 94 - PHYS
12345