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

共 9 条

[1] A thermodynamic model for the shape and stability of twinned nanostructures
Barnard, A. S.
[J]. JOURNAL OF PHYSICAL CHEMISTRY B, 2006, 110 (48) : 24498 - 24504
[2] Modelling of nanoparticles: approaches to morphology and evolution
Barnard, A. S.
[J]. REPORTS ON PROGRESS IN PHYSICS, 2010, 73 (08)
[3] Computational strategies for predicting the potential risks associated with nanotechnology
Barnard, Amanda S.
[J]. NANOSCALE, 2009, 1 (01) : 89 - 95
[4] How can ab initio simulations address risks in nanotech?
Barnard, Amanda S.
[J]. NATURE NANOTECHNOLOGY, 2009, 4 (06) : 332 - 335
[5] Using theory and modelling to investigate shape at the nanoscale
Barnard, AS
[J]. JOURNAL OF MATERIALS CHEMISTRY, 2006, 16 (09) : 813 - 815
[6] A model for the phase stability of arbitrary nanoparticles as a function of size and shape
Barnard, AS
Zapol, P
[J]. JOURNAL OF CHEMICAL PHYSICS, 2004, 121 (09) : 4276 - 4283
[7] Safe, stable and effective nanotechnology: phase mapping of ZnS nanoparticles
Feigl, C.
Russo, S. P.
Barnard, A. S.
[J]. JOURNAL OF MATERIALS CHEMISTRY, 2010, 20 (24) : 4971 - 4980
[8] Origin of nanomorphology: does a complete theory of nanoparticle evolution exist?
Seyed-Razavi, Alireza
Snook, Ian K.
Barnard, Amanda S.
[J]. JOURNAL OF MATERIALS CHEMISTRY, 2010, 20 (03) : 416 - 421
[9] On the question of speed of growth and dissolution of crystal surfaces.
Wulff, G
[J]. ZEITSCHRIFT FUR KRYSTALLOGRAPHIE UND MINERALOGIE, 1901, 34 (5/6): : 449 - 530

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