Grain boundary segregation, chemical ordering and stability of nanocrystalline alloys: Atomistic computer simulations in the Ni-W system

被引：230

作者：

Detor, Andrew J. ^{[1
]}

Schuh, Christopher A. ^{[1
]}

机构：

[1] MIT, Dept Mat Sci & Engn, Cambridge, MA 02139 USA

来源：

ACTA MATERIALIA | 2007年 / 55卷 / 12期

关键词：

chemical ordering; grain boundary energy; grain boundary segregation; nanocrystalline; nanostructure stability; ELECTRON-MICROSCOPY; THERMAL-STABILITY; MONTE-CARLO; CORROSION BEHAVIOR; SOLUTE SEGREGATION; MAGNETIC-MATERIALS; MO ALLOYS; THERMODYNAMIC STABILIZATION; MECHANICAL-PROPERTIES; ATOM-PROBE;

D O I：

10.1016/j.actamat.2007.03.024

中图分类号：

T [工业技术];

学科分类号：

08 ;

摘要：

Atomistic computer simulations are used to investigate the equilibrium solute distribution and alloying energetics in nanocrystalline Ni-W. Composition and grain size-dependent trends in grain boundary segregation and chemical ordering behavior are evaluated and we find the equilibrium state to be significantly influenced by the nanostructure. The energetics of alloying are assessed through computation of the segregation, formation, and grain boundary energy, and these quantities are linked to previous thermodynamic models of nanostructure stability. With comparison to experiments, we conclude that nanocrystalline Ni-W alloys are synthesized in a metastable state. These findings have important consequences for theories of nanostructure control in general and particularly for the thermal stability of nanocrystalline Ni-W. (c) 2007 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved.

引用

页码：4221 / 4232

页数：12

共 88 条

[61] Grain size-dependent electrical properties of nanocrystalline ZnO [J].