RETRACTED: A simple analytical EAM model for some bcc metals (Retracted article. See vol. 16, pg. 4547, 2011)

被引：7

作者：

Dursun, Ibrahim H. ^{[2
]}

Guvenc, Ziya B. ^{[1
]}

Kasap, E. ^{[3
]}

机构：

[1] Cankaya Univ, TR-06500 Balgat Ankara, Turkey

[2] Univ Aksaray, Fac Sci & Literature, TR-68100 Aksaray, Turkey

[3] Gazi Univ, Fac Sci & Literature, TR-06500 Ankara, Turkey

来源：

COMMUNICATIONS IN NONLINEAR SCIENCE AND NUMERICAL SIMULATION | 2010年 / 15卷 / 05期

关键词：

Alloys; Surface; Impurity; Molecular Dynamics Simulation (MDS); Embedded Atom Method (EAM); Heat capacity; Under-cooled; Specific heat; bcc metals; EMBEDDED-ATOM METHOD; THERMODYNAMIC PROPERTIES; PHASE-DIAGRAMS; IRON-VANADIUM; ALLOYS; SYSTEM;

D O I：

10.1016/j.cnsns.2009.05.034

中图分类号：

O29 [应用数学];

学科分类号：

070104 ;

摘要：

An analytical embedded atom method which can treat bcc transition metal iron has been developed. In this model, a new potential was presented and a modified term has been introduced to fit the negative Cauchy pressure P-C = (C-12 - C-44)/2 for Fe element. The new model was applied to calculate thermodynamic properties of binary alloys of the bcc transition metals: Fe, V and Cr. The calculated dilute-solution enthalpies and formation enthalpies of random alloys are in good agreement with the results of first principles calculations and that of the thermodynamic calculations. (C) 2009 Elsevier B.V. All rights reserved.

引用

页码：1259 / 1266

页数：8

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