Atomistic kinetic Monte Carlo simulations of polycrystalline copper electrodeposition

被引：7
|
作者：
Treeratanaphitak, Tanyakarn [1 ]
Pritzker, Mark D. [1 ]
Abukhdeir, Nasser Mohieddin [1 ,2 ]
机构：
[1] Univ Waterloo, Dept Chem Engn, Waterloo, ON N2L 3G1, Canada
[2] Univ Waterloo, Waterloo Inst Nanotechnol, Waterloo, ON N2L 3G1, Canada
来源：
ELECTROCHEMISTRY COMMUNICATIONS | 2014年 / 46卷
基金：
加拿大自然科学与工程研究理事会;
关键词：
Electrodeposition; Simulation; Kinetic Monte Carlo; Embedded-atom method; Polycrystalline; EMBEDDED-ATOM METHOD; SURFACE GROWTH; THIN-FILMS; DEPOSITION; EVOLUTION; METALS; DIMENSIONS; ROUGHNESS; ENERGY; CU;
D O I：
10.1016/j.elecom.2014.07.001
中图分类号：
O646 [电化学、电解、磁化学];
学科分类号：
081704 ;
摘要：
A high-fidelity kinetic Monte Carlo (KMC) simulation method (T. Treeratanaphitak, M. Pritzker, N.M. Abukhdeir, Electrochim. Acta 121 (2014) 407-414) using the semi-empirical multi-body embedded-atom method (EAM) potential has been extended to model polycrystalline metal electrodeposition. Simulations using KMC-EAM are performed over a range of overpotentials to predict the effect on deposit texture evolution. Roughness-time power law behaviour (proportional to t(beta)) is observed where beta = 0.62 +/- 0.12, which is in good agreement with past experimental results. Furthermore, the simulations provide insights into the dynamics of sub-surface deposit morphology which are not directly accessible from experimental measurements. (C) 2014 Elsevier B.V. All rights reserved.
引用
收藏
页码：140 / 143
页数：4
相关论文
共 50 条
  • [1] Monte Carlo simulations of the electrodeposition of copper
    Pricer, TJ
    Kushner, MJ
    Alkire, RC
    [J]. FUNDAMENTAL ASPECTS OF ELECTROCHEMICAL DEPOSITION AND DISSOLUTION, PROCEEDINGS, 2000, 99 (33): : 328 - 334
  • [2] Kinetic Monte Carlo simulation of electrodeposition of polycrystalline Cu
    Liu, Jun
    Liu, Changqing
    Conway, Paul P.
    [J]. ELECTROCHEMISTRY COMMUNICATIONS, 2009, 11 (11) : 2207 - 2211
  • [3] Kinetic Monte Carlo simulations of nucleation and growth in electrodeposition
    Guo, L
    Radisic, A
    Searson, PC
    [J]. JOURNAL OF PHYSICAL CHEMISTRY B, 2005, 109 (50): : 24008 - 24015
  • [4] Precipitation in a copper matrix modeled by ab initio calculations and atomistic kinetic Monte Carlo simulations
    Sajadi, Seyedsaeid
    Hocker, Stephen
    Mora, Alejandro
    Binkele, Peter
    Seeger, Joerg
    Schmauder, Siegfried
    [J]. PHYSICA STATUS SOLIDI B-BASIC SOLID STATE PHYSICS, 2017, 254 (04):
  • [5] Kinetic Monte Carlo simulation of the electrodeposition of polycrystalline copper: Effects of substrates and deposition parameters on the microstructure of deposits
    Liu, Jun
    Liu, Changqing
    Conway, Paul P.
    [J]. ELECTROCHIMICA ACTA, 2013, 97 : 132 - 142
  • [6] Kinetic Monte Carlo simulations of heteroepitaxial growth with an atomistic model of elasticity
    Nath, Pinku
    Ranganathan, Madhav
    [J]. SURFACE SCIENCE, 2012, 606 (17-18) : 1450 - 1457
  • [7] Atomistic Monte Carlo simulations of three-dimensional polycrystalline thin films
    Rubio, JE
    Jaraiz, M
    Martin-Bragado, I
    Hernandez-Mangas, JM
    Barbolla, J
    Gilmer, GH
    [J]. JOURNAL OF APPLIED PHYSICS, 2003, 94 (01) : 163 - 168
  • [8] A hybrid multiscale kinetic Monte Carlo method for simulation of copper electrodeposition
    Zheng, Zheming
    Stephens, Ryan M.
    Braatz, Richard D.
    Alkire, Richard C.
    Petzold, Linda R.
    [J]. JOURNAL OF COMPUTATIONAL PHYSICS, 2008, 227 (10) : 5184 - 5199
  • [9] Atomistic-object kinetic Monte Carlo simulations of irradiation damage in tungsten
    Mason, D. R.
    Sand, A. E.
    Dudarev, S. L.
    [J]. MODELLING AND SIMULATION IN MATERIALS SCIENCE AND ENGINEERING, 2019, 27 (05)
  • [10] Self-Evolving Atomistic Kinetic Monte Carlo simulations of defects in materials
    Xu, Haixuan
    Stoller, Roger E.
    Beland, Laurent K.
    Osetsky, Yuri N.
    [J]. COMPUTATIONAL MATERIALS SCIENCE, 2015, 100 : 135 - 143
12345