Orientation-dependent surface tension functions for surface energy minimizing calculations

被引:0
|
作者
Ellen J. Siem
W. Craig Carter
机构
[1] Department of Materials Science & Engineering,
[2] MIT,undefined
来源
关键词
Free Energy; Surface Tension; Energy Density; Surface Energy; Equivalence Class;
D O I
暂无
中图分类号
学科分类号
摘要
Previous numerical methods that calculate equilibrium particle shape to study thermodynamic and kinetic processes depend on interfacial (surface) free energy functions γ(\documentclass[12pt]{minimal} \usepackage{amsmath} \usepackage{wasysym} \usepackage{amsfonts} \usepackage{amssymb} \usepackage{amsbsy} \usepackage{mathrsfs} \usepackage{upgreek} \setlength{\oddsidemargin}{-69pt} \begin{document}$$\skew7\hat{n}$$\end{document}) that have cubic symmetry and thus produce Wulff shapes W of cubic symmetry. This work introduces a construction yielding the minimal surface energy density γconvex(W) that can be determined for anyW. Each γ(\documentclass[12pt]{minimal} \usepackage{amsmath} \usepackage{wasysym} \usepackage{amsfonts} \usepackage{amssymb} \usepackage{amsbsy} \usepackage{mathrsfs} \usepackage{upgreek} \setlength{\oddsidemargin}{-69pt} \begin{document}$$\skew7\hat{n}$$\end{document}) that belongs to the equivalence class γ(W) bounded by γconvex(W) can be used in an energy-minimizing calculation that depends only on W. For practical numerical calculations, this work gives two methods taking directional distance from specified orientation minima as a parameter to produce analytic forms of γ(\documentclass[12pt]{minimal} \usepackage{amsmath} \usepackage{wasysym} \usepackage{amsfonts} \usepackage{amssymb} \usepackage{amsbsy} \usepackage{mathrsfs} \usepackage{upgreek} \setlength{\oddsidemargin}{-69pt} \begin{document}$$\skew7\hat{n}$$\end{document}) giving W as the equilibrium shape for (an otherwise unconstrained) fixed volume. Included are several two- and three-dimensional examples that demonstrate the application and utility of the model γ(\documentclass[12pt]{minimal} \usepackage{amsmath} \usepackage{wasysym} \usepackage{amsfonts} \usepackage{amssymb} \usepackage{amsbsy} \usepackage{mathrsfs} \usepackage{upgreek} \setlength{\oddsidemargin}{-69pt} \begin{document}$$\skew7\hat{n}$$\end{document}) functions.
引用
收藏
页码:3107 / 3113
页数:6
相关论文
共 50 条
  • [1] Orientation-dependent surface tension functions for surface energy minimizing calculations
    Siem, EJ
    Carter, WC
    JOURNAL OF MATERIALS SCIENCE, 2005, 40 (12) : 3107 - 3113
  • [2] Size dependent surface energy and surface tension
    Lu, H. M.
    Jiang, Q.
    2006 IEEE CONFERENCE ON EMERGING TECHNOLOGIES - NANOELECTRONICS, 2006, : 21 - +
  • [3] Temperature- and surface orientation-dependent calculated vacancy formation energy for Cu nanocubes
    C. van der Walt
    J. J. Terblans
    H. C. Swart
    Journal of Materials Science, 2018, 53 : 814 - 823
  • [4] Temperature- and surface orientation-dependent calculated vacancy formation energy for Cu nanocubes
    Walt, C. van der
    Terblans, J. J.
    Swart, H. C.
    JOURNAL OF MATERIALS SCIENCE, 2018, 53 (01) : 814 - 823
  • [5] Orientation-dependent surface composition of in situ annealed strontium titanate
    Zagonel, Luiz F.
    Barrett, Nicholas
    Renault, Olivier
    Bailly, Aude
    Baeurer, Michael
    Hoffmann, Michael
    Shih, Shao-Ju
    Cockayne, David
    SURFACE AND INTERFACE ANALYSIS, 2008, 40 (13) : 1709 - 1712
  • [6] Orientation-dependent nucleation of GaN on a nanoscale faceted Si surface
    Lee, SC
    Sun, XY
    Hersee, SD
    Brueck, SRJ
    JOURNAL OF CRYSTAL GROWTH, 2005, 279 (3-4) : 289 - 292
  • [7] Molecular Dynamics Study of Orientation-dependent Tensile Properties of Si Nanowires with Native Oxide: Surface Stress and Surface Energy Effects
    Pakzad, Sina Zare
    Esfahani, Mohammad Nasr
    Alaca, B. Erdem
    2021 IEEE 21ST INTERNATIONAL CONFERENCE ON NANOTECHNOLOGY (IEEE NANO 2021), 2021, : 370 - 373
  • [8] ORIENTATION-DEPENDENT SURFACE SEGREGATION OF ANTIMONY ON NONORIENTED ELECTRICAL STEEL SHEET
    JENKO, M
    VODOPIVEC, F
    GRABKE, HJ
    VIEFHAUS, H
    PRACEK, B
    LUCAS, M
    GODEC, M
    STEEL RESEARCH, 1994, 65 (11): : 500 - 504
  • [9] Observation of orientation-dependent electron transfer in molecule-surface collisions
    Bartels, Nils
    Golibrzuch, Kai
    Bartels, Christof
    Chen, Li
    Auerbach, Daniel J.
    Wodtke, Alec M.
    Schaefer, Tim
    PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA, 2013, 110 (44) : 17738 - 17743
  • [10] Orientation-dependent surface and step energies of Pb from first principles
    Yu, Dengke
    Bonzel, H. P.
    Scheffler, Matthias
    PHYSICAL REVIEW B, 2006, 74 (11):