Dependence of solid-liquid interface free energy on liquid structure

被引：16
|
作者：
Wilson, S. R. [1 ]
Mendelev, M. I. [1 ]
机构：
[1] Ames Lab, Div Engn & Mat Sci, Ames, IA 50011 USA
来源：
MODELLING AND SIMULATION IN MATERIALS SCIENCE AND ENGINEERING | 2014年 / 22卷 / 06期
关键词：
molecular dynamics simulation; solid-liquid interface; semi-empirical potentials; INTERATOMIC POTENTIALS APPROPRIATE; RADIAL-DISTRIBUTION FUNCTION; VAPOR INTERFACE; MELTING-POINT; AL; MODEL; METALS; SOLIDIFICATION; SEGREGATION; SIMULATION;
D O I：
10.1088/0965-0393/22/6/065004
中图分类号：
T [工业技术];
学科分类号：
08 ;
摘要：
The Turnbull relation is widely believed to enable prediction of solid-liquid interface (SLI) free energies from measurements of the latent heat and the solid density. Ewing proposed an additional contribution to the SLI free energy to account for variations in liquid structure near the interface. In the present study, molecular dynamics (MD) simulations were performed to investigate whether SLI free energy depends on liquid structure. Analysis of the MD simulation data for 11 fcc metals demonstrated that the Turnbull relation is only a rough approximation for highly ordered liquids, whereas much better agreement is observed with Ewing's theory. A modification to Ewing's relation is proposed in this study that was found to provide excellent agreement with MD simulation data.
引用
收藏
页数：12
相关论文
共 50 条
  • [1] Solid-liquid interface free energy through metadynamics simulations
    Angioletti-Uberti, Stefano
    Ceriotti, Michele
    Lee, Peter D.
    Finnis, Mike W.
    [J]. PHYSICAL REVIEW B, 2010, 81 (12)
  • [2] SURFACE FREE ENERGY OR RESIDUAL FORCE AT SOLID-LIQUID INTERFACE
    GUHA, DK
    NARAYANAN, S
    RAO, MN
    [J]. JOURNAL OF SCIENTIFIC & INDUSTRIAL RESEARCH, 1967, 26 (12): : 502 - +
  • [3] Solid-liquid interface energy of silicon
    Jian, Zengyun
    Kuribayashi, Kazuhiko
    Jie, Wanqi
    Chang, Fange
    [J]. ACTA MATERIALIA, 2006, 54 (12) : 3227 - 3232
  • [4] Structure of Solid-Liquid Interface and Tribology
    Hirayama, Tomoko
    [J]. Zairyo/Journal of the Society of Materials Science, Japan, 2024, 73 (09) : 691 - 696
  • [5] Solid-liquid interfacial free energy
    Granasy, L.
    Tegze, M.
    Ludwig, A.
    [J]. Materials Science and Engineering A, 1991, A133 (pt 1) : 577 - 580
  • [6] THE SOLID-LIQUID INTERFACE
    BOOTSMA, GA
    DEROOIJ, NF
    VANSILFHOUT, A
    [J]. SENSORS AND ACTUATORS, 1981, 1 (02): : 111 - 136
  • [7] SOLID-LIQUID INTERFACE
    不详
    [J]. INDUSTRIAL AND ENGINEERING CHEMISTRY, 1967, 59 (11): : 16 - &
  • [8] Intermolecular energy transfer at a solid-liquid interface
    Ohara, T
    Suzuki, D
    [J]. MICROSCALE THERMOPHYSICAL ENGINEERING, 2000, 4 (03): : 189 - 196
  • [9] The solid-liquid interface energy of organic crystals
    Lu, H. M.
    Wen, Z.
    Jiang, Q.
    [J]. JOURNAL OF PHYSICAL ORGANIC CHEMISTRY, 2007, 20 (04) : 236 - 240
  • [10] DEPENDENCE OF THE CONTACT ANGLE ON ADSORPTION AT THE SOLID-LIQUID INTERFACE
    Ward, C. A.
    [J]. PROCEEDINGS OF THE 8TH INTERNATIONAL CONFERENCE ON NANOCHANNELS, MICROCHANNELS AND MINICHANNELS, 2010, PTS A AND B, 2011, : 789 - 797
12345