Multiscale computational modeling techniques in study and design of 2D materials: recent advances, challenges, and opportunities

MA Zaeem, S Thomas, S Kavousi, N Zhang… - 2D …, 2024 - iopscience.iop.org
This article provides an overview of recent advances, challenges, and opportunities in
multiscale computational modeling techniques for study and design of two-dimensional (2D) …

Current development in quantitative phase-field modeling of solidification

X Dong, H Xing, K Weng, H Zhao - Journal of Iron and Steel Research …, 2017 - Springer
The quantitative phase-field simulations were reviewed on the processes of solidification of
pure metals and alloys. The quantitative phase-field equations were treated in a diffuse thin …

A diffuse-interface approximation for step flow in epitaxial growth

F Otto, P Penzler, A Rätz, T Rump, A Voigt - Nonlinearity, 2003 - iopscience.iop.org
We consider a step-flow model for epitaxial growth, as proposed by Burton et al. This type of
model is discrete in the growth direction but continuous in the lateral directions. The effect of …

Phase-field modeling of epitaxial growth: applications to step trains and island dynamics

Z Hu, JS Lowengrub, SM Wise, A Voigt - Physica D: Nonlinear Phenomena, 2012 - Elsevier
In this paper, we present a new phase-field model including combined effects of edge
diffusion, the Ehrlich–Schwoebel barrier, deposition and desorption to simulate epitaxial …

Finite element method for epitaxial growth with thermodynamic boundary conditions

E Bänsch, F Hausser, A Voigt - SIAM journal on scientific computing, 2005 - SIAM
We develop an adaptive finite element method for island dynamics in epitaxial growth. We
study a step-flow model, which consists of an adatom (adsorbed atom) diffusion equation on …

Thin interface analysis of a phase-field model for epitaxial growth with nucleation and Ehrlich–Schwoebel effects

XL Dong, H Xing, CL Chen, BC Luo, Z Chen… - Journal of crystal …, 2014 - Elsevier
In this paper, we perform thin interface analysis of a quantitative phase field model for
epitaxial growth where nucleation and the Ehrlich–Schwoebel barrier have been …

[HTML][HTML] Phase-field modeling of submonolayer growth with the modulated nucleation regime

XL Dong, H Xing, CL Chen, JY Wang, KX Jin - Physics Letters A, 2015 - Elsevier
In this letter, we perform the phase-field simulations to investigate nucleation regime of
submonolayer growth via a quantified nucleation term. Results show that the nucleation …

[PDF][PDF] 力和扩散机理下外延形貌的演化分析

陈振飞, 冯露, 赵洋, 齐红蕊 - 物理学报, 2015 - wulixb.iphy.ac.cn
本文提出了一个新的基于扩散界面的相场模型来描述外延生长中岛的形核, 生长及熟化过程.
该模型同时考虑了弹性场, 表面能, 沉积, 扩散, 解吸和能量势垒等热力学及动力学过程对表面 …

[PDF][PDF] 六方小面相螺旋在各向异性, 表面吸附, 界面动力学作用下生长的相场

董祥雷, 邢辉, 陈长乐, 沙莎, 王建元, 金克新 - 物理学报, 2015 - wulixb.iphy.ac.cn
利用定量相场模型研究了强各向异性, 表面吸附率以及界面动力学作用条件下六方GaN
螺旋结构的表面形貌与生长机理. 通过引入小面相各向异性的相场修正方程 …

Edge diffusion in phase-field models for epitaxial growth

A Rätz, A Voigt - Multiscale Modeling in Epitaxial Growth: Mini …, 2005 - Springer
A phase-field model is proposed to describe step-flow in epitaxial growth. In this model the
motion of steps or island boundaries of discrete atomic layers on an epitaxial growing film is …