Determination of free energy of the crystal-melt interface

被引:0
|
作者
V. V. Pisarev
机构
[1] Russian Academy of Sciences,Joint Institute of High Temperatures
[2] Moscow Moscow Institute of Physics and Technology,undefined
来源
High Temperature | 2012年 / 50卷
关键词
Free Energy; Molecular Dynamic; Molecular Dynamic Method; Molecular Dynamic Calculation; Interfacial Free Energy;
D O I
暂无
中图分类号
学科分类号
摘要
The results of calculation of the free energy γ of the crystal-melt interface using the molecular dynamics method are presented. The interfacial energy is determined from analysis of the capillary fluctuations spectrum in the two-phase system. The free energy values of the crystal-melt interface are found for aluminum on the melting line in the temperature range of 935 to 1110 K. The anisotropy value of the interfacial free energy is estimated for different interface orientations. It is shown that the free energy values for the basic planes are arranged in the order γ100 > γ110 > γ111. It is revealed that the free energy of the crystalmelt interface increases with the rise in temperature along the melting line.
引用
收藏
页码:717 / 721
页数:4
相关论文
共 50 条
  • [1] Determination of free energy of the crystal-melt interface
    Pisarev, V. V.
    HIGH TEMPERATURE, 2012, 50 (06) : 717 - 721
  • [2] Interfacial Free Energy at the Metallic Crystal-Melt Interface
    Aref'eva, L. P.
    Shebzukhova, I. G.
    PHYSICS OF THE SOLID STATE, 2018, 60 (07) : 1273 - 1279
  • [3] The anisotropic free energy of the Lennard-Jones crystal-melt interface
    Morris, JR
    Song, XY
    JOURNAL OF CHEMICAL PHYSICS, 2003, 119 (07): : 3920 - 3925
  • [4] Complete mapping of the anisotropic free energy of the crystal-melt interface in Al
    Morris, JR
    PHYSICAL REVIEW B, 2002, 66 (14): : 1 - 7
  • [5] A new method for computing the anisotropic free energy of the crystal-melt interface
    Wu, Lingkang
    Fu, Baoqin
    Wang, Li
    Liu, Lin
    Hu, Guichao
    Xu, Ben
    Zhang, Youliang
    Liu, Jin
    COMPUTATIONAL MATERIALS SCIENCE, 2022, 210
  • [6] SURFACE ENERGY OF METALS AT CRYSTAL-MELT INTERFACE
    ZADUMKIN, SN
    DOKHOV, MP
    RUSSIAN METALLURGY-METALLY-USSR, 1968, (01): : 52 - &
  • [8] On the calculation of crystal-melt interface free energy and interface stiffness using Ni as a model system
    Liu, Lin
    Wang, Li
    Wu, Lingkang
    Fu, Baoqin
    Li, Jing
    Zhao, Yujie
    Xu, Ben
    Wang, Hao
    JOURNAL OF APPLIED PHYSICS, 2022, 132 (15)
  • [9] THE VALUE OF THE SURFACE ENERGY OF METALS AT THE CRYSTAL-MELT INTERFACE
    ZADUMKIN, SN
    DOKLADY AKADEMII NAUK SSSR, 1960, 130 (04): : 810 - 811
  • [10] Interfacial free energy of the NaCl crystal-melt interface from capillary wave fluctuations
    Benet, Jorge
    MacDowell, Luis G.
    Sanz, Eduardo
    JOURNAL OF CHEMICAL PHYSICS, 2015, 142 (13):