On the relationship of the relative intensity I3 and a cavity number as obtained from computer simulations

被引：2
作者：
Racko, Dusan [1 ]
机构：
[1] Slovak Acad Sci, Inst Polymer, Bratislava 84541, Slovakia
来源：
POSITRON AND POSITRONIUM CHEMISTRY X | 2013年 / 733卷
关键词：
positron annihilation; molecular dynamics; simulation; relative intensity; I-3; MOLECULAR-DYNAMICS SIMULATIONS; FREE-VOLUME; POSITRONIUM ANNIHILATION; DEPENDENCE; LIQUID;
D O I：
10.4028/www.scientific.net/MSF.733.183
中图分类号：
T [工业技术];
学科分类号：
08 ;
摘要：
In this contribution a generalized picture of the cavity number behavior is obtained by means of molecular dynamics simulations and consequent free volume analysis. The cavity number obtained for free volume cavities defined by different probe radii shows a complex behavior with the temperature. The number of cavities determined by small probes drops with the temperature. The number of cavities determined by large probes increases. This complex behavior of the cavity number can be discussed with the distinct behavior of the relative intensity, as observed in the experiment, and a support for the most basic of assumptions, that the cavity number relates to the relative intensity, is given.
引用
收藏
页码：183 / 189
页数：7
相关论文
共 20 条
  • [1] Relaxation in glassforming liquids and amorphous solids
    Angell, CA
    Ngai, KL
    McKenna, GB
    McMillan, PF
    Martin, SW
    [J]. JOURNAL OF APPLIED PHYSICS, 2000, 88 (06) : 3113 - 3157
  • [2] [Anonymous], 1988, Positron annihilation studies of fluids
  • [3] Free volume and microscopic dynamics in amorphous polymers
    Bartos, J
    Kristiak, J
    Kanaya, T
    [J]. PHYSICA B, 1997, 234 : 435 - 436
  • [4] Free volume factor in supercooled liquid dynamics
    Bartos, J
    Sausa, O
    Bandzuch, P
    Zrubcová, J
    Kristiak, J
    [J]. JOURNAL OF NON-CRYSTALLINE SOLIDS, 2002, 307 : 417 - 425
  • [5] Free-volume dynamics in glasses and supercooled liquids
    Bendler, JT
    Fontanella, JJ
    Shlesinger, MF
    Bartos, J
    Sausa, O
    Kristiak, J
    [J]. PHYSICAL REVIEW E, 2005, 71 (03)
  • [6] BAKERIAN LECTURE 1962 - STRUCTURE OF LIQUIDS
    BERNAL, JD
    [J]. PROCEEDINGS OF THE ROYAL SOCIETY OF LONDON SERIES A-MATHEMATICAL AND PHYSICAL SCIENCES, 1964, 280 (1380) : 299 - +
  • [7] Blochowitz T., 2006, ADV CHEM PHYS A, V133, P140
  • [8] Evolution of dynamic susceptibility in molecular glass formers -: a critical assessment
    Brodin, A.
    Gainaru, C.
    Porokhonskyy, V.
    Roessler, E. A.
    [J]. JOURNAL OF PHYSICS-CONDENSED MATTER, 2007, 19 (20)
  • [9] Glycerol condensed phases part II. A molecular dynamics study of the conformational structure and hydrogen bonding
    Chelli, R
    Procacci, P
    Cardini, G
    Califano, S
    [J]. PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 1999, 1 (05) : 879 - 885
  • [10] THE TEMPERATURE-DEPENDENCE OF POSITRON LIFETIMES IN SOLID PIVALIC ACID
    ELDRUP, M
    LIGHTBODY, D
    SHERWOOD, JN
    [J]. CHEMICAL PHYSICS, 1981, 63 (1-2) : 51 - 58
12