Useful equations for modeling the relative stability of common nanoparticle morphologies

被引：10

作者：

Barnard, A. S. ^{[1
]}

机构：

[1] CSIRO Mat Sci & Engn, Clayton, Vic 3168, Australia

来源：

COMPUTER PHYSICS COMMUNICATIONS | 2011年 / 182卷 / 01期

关键词：

Nanomorphology; Thermodynamics; Shape; Modelling; SHAPE;

D O I：

10.1016/j.cpc.2010.07.034

中图分类号：

TP39 [计算机的应用];

学科分类号：

081203 ; 0835 ;

摘要：

Computational modeling of realistic nanostructures requires the description of polyhedral (rather than spherical) structures in order to investigate a range of anisotropic phenomena Presented here is a simple thermodynamic model for exploring the relative stability of faceted nanocrystals, and the set of equations needed to model common shapes in the isometric crystal system Crown Copyright (C) 2010 Published by Elsevier BV All rights reserved

引用

页码：11 / 13

页数：3

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