HIGH-DENSITY STRUCTURES AND PHASE-TRANSITION IN AN IONIC MODEL OF H2O ICE

被引:14
作者
DEMONTIS, P
KLEIN, ML
LESAR, R
机构
[1] UNIV MICHIGAN,DEPT MAT SCI & ENGN,ANN ARBOR,MI 48109
[2] UNIV PENN,DEPT CHEM,PHILADELPHIA,PA 19104
[3] UNIV MICHIGAN,DEPT CHEM,ANN ARBOR,MI 48109
来源
PHYSICAL REVIEW B | 1989年 / 40卷 / 04期
关键词
D O I
10.1103/PhysRevB.40.2716
中图分类号
T [工业技术];
学科分类号
08 ;
摘要
引用
收藏
页码:2716 / 2718
页数:3
相关论文
共 11 条
  • [1] UNIFIED APPROACH FOR MOLECULAR-DYNAMICS AND DENSITY-FUNCTIONAL THEORY
    CAR, R
    PARRINELLO, M
    [J]. PHYSICAL REVIEW LETTERS, 1985, 55 (22) : 2471 - 2474
  • [2] NEW HIGH-PRESSURE PHASES OF ICE
    DEMONTIS, P
    LESAR, R
    KLEIN, ML
    [J]. PHYSICAL REVIEW LETTERS, 1988, 60 (22) : 2284 - 2287
  • [3] STATIC COMPRESSION OF H2O-ICE TO 128 GPA (1.28 MBAR)
    HEMLEY, RJ
    JEPHCOAT, AP
    MAO, HK
    ZHA, CS
    FINGER, LW
    COX, DE
    [J]. NATURE, 1987, 330 (6150) : 737 - 740
  • [4] HUBBARD WB, 1989, SIMPLE MOL SYSTEMS V, P203
  • [5] ELECTRON-GAS MODEL FOR MOLECULAR-CRYSTALS - APPLICATION TO THE ALKALI AND ALKALINE-EARTH HYDROXIDES
    LESAR, R
    GORDON, RG
    [J]. PHYSICAL REVIEW B, 1982, 25 (12): : 7221 - 7237
  • [6] POTENTIAL-INDUCED BREATHING MODEL FOR THE ELASTIC-MODULI AND HIGH-PRESSURE BEHAVIOR OF THE CUBIC ALKALINE-EARTH OXIDES
    MEHL, MJ
    HEMLEY, RJ
    BOYER, LL
    [J]. PHYSICAL REVIEW B, 1986, 33 (12): : 8685 - 8696
  • [7] DENSITY-FUNCTIONAL THEORY FOR THE ENERGY OF CRYSTALS - TEST OF THE IONIC MODEL
    MUHLHAUSEN, C
    GORDON, RG
    [J]. PHYSICAL REVIEW B, 1981, 24 (04): : 2147 - 2160
  • [8] THE NATURE OF THE INTERIOR OF URANUS BASED ON STUDIES OF PLANETARY ICES AT HIGH DYNAMIC PRESSURE
    NELLIS, WJ
    HAMILTON, DC
    HOLMES, NC
    RADOUSKY, HB
    REE, FH
    MITCHELL, AC
    NICOL, M
    [J]. SCIENCE, 1988, 240 (4853) : 779 - 781
  • [9] OPTIMIZATION OF A DISTRIBUTED GAUSSIAN-BASIS SET USING SIMULATED ANNEALING - APPLICATION TO THE ADIABATIC DYNAMICS OF THE SOLVATED ELECTRON
    SPRIK, M
    KLEIN, ML
    [J]. JOURNAL OF CHEMICAL PHYSICS, 1988, 89 (03) : 1592 - 1607
  • [10] SCALED ELECTRON-GAS APPROXIMATION FOR INTER-MOLECULAR FORCES
    WALDMAN, M
    GORDON, RG
    [J]. JOURNAL OF CHEMICAL PHYSICS, 1979, 71 (03) : 1325 - 1339