MOLECULAR-DYNAMICS SIMULATION OF A MOLECULAR GLASS AT INTERMEDIATE TIMES

被引:27
作者
WAHNSTROM, G
LEWIS, LJ
机构
[1] GOTHENBURG UNIV,S-41296 GOTHENBURG,SWEDEN
[2] UNIV MONTREAL,RECH PHYS & TECHNOL COUCHES MINCES GRP,MONTREAL H3C 3J7,QUEBEC,CANADA
[3] UNIV MONTREAL,DEPT PHYS,MONTREAL H3C 3J7,QUEBEC,CANADA
来源
PHYSICA A | 1993年 / 201卷 / 1-3期
关键词
D O I
10.1016/0378-4371(93)90411-V
中图分类号
O4 [物理学];
学科分类号
0702 ;
摘要
The results of a detailed molecular dynamics investigation of relaxation in the van der Waals system o-terphenyl are presented. Our calculations give clear evidence for the existence of a fast ''relaxation process'' on the picosecond time scale. This confirms the neutron-scattering observation of an anomalous decrease of the Debye-Waller factor. The observed relaxation process results from strongly anharmonic motion of molecules trapped in cages formed by their neighbours.
引用
收藏
页码:150 / 156
页数:7
相关论文
共 14 条
  • [1] INELASTIC NEUTRON-SCATTERING EXPERIMENTS ON VANDERWAALS GLASSES - A TEST OF RECENT MICROSCOPIC THEORIES OF THE GLASS-TRANSITION
    BARTSCH, E
    FUJARA, F
    KIEBEL, M
    SILLESCU, H
    PETRY, W
    [J]. BERICHTE DER BUNSEN-GESELLSCHAFT-PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 1989, 93 (11): : 1252 - 1259
  • [2] BORJESSON L, UNPUB
  • [3] FAST RELAXATIONS IN A SILICATE GLASS
    BUCHENAU, U
    NUCKER, N
    DIANOUX, AJ
    KRAUSE, D
    [J]. PHYSICA A-STATISTICAL MECHANICS AND ITS APPLICATIONS, 1993, 201 (1-3) : 372 - 374
  • [4] DENSITY-FLUCTUATIONS AROUND THE GLASS-TRANSITION OF LOW-MOLECULAR-WEIGHT GLASS-FORMING LIQUIDS
    FISCHER, EW
    MEIER, G
    RABENAU, T
    PATKOWSKI, A
    STEFFEN, W
    THONNES, W
    [J]. JOURNAL OF NON-CRYSTALLINE SOLIDS, 1991, 131 : 134 - 138
  • [5] VISCOUS LIQUIDS AND GLASS TRANSITION .2. SECONDARY RELAXATIONS IN GLASSES OF RIGID MOLECULES
    JOHARI, GP
    GOLDSTEIN, M
    [J]. JOURNAL OF CHEMICAL PHYSICS, 1970, 53 (06) : 2372 - +
  • [6] SECONDARY RELAXATION IN THE GLASS-TRANSITION REGIME OF ORTHO-TERPHENYL OBSERVED BY INCOHERENT NEUTRON-SCATTERING
    KIEBEL, M
    BARTSCH, E
    DEBUS, O
    FUJARA, F
    PETRY, W
    SILLESCU, H
    [J]. PHYSICAL REVIEW B, 1992, 45 (18): : 10301 - 10305
  • [7] LEWIS LN, UNPUB
  • [8] PETRY EW, 1991, Z PHYS B, V83, P175
  • [10] THE MOLECULAR-DYNAMICS AROUND THE GLASS-TRANSITION AND IN THE GLASSY STATE OF MOLECULAR ORGANIC-SYSTEMS - A H-2-NUCLEAR MAGNETIC-RESONANCE (NMR) STUDY
    SCHNAUSS, W
    FUJARA, F
    SILLESCU, H
    [J]. JOURNAL OF CHEMICAL PHYSICS, 1992, 97 (02) : 1378 - 1389