Heats of formation of Zirconium binary transition metal alloys

被引：3

作者：

Krarcha, H. ^{[1
]}

Bouzida, A. Belgacem ^{[2
]}

机构：

[1] Univ Batna, Fac Sci, Dept Phys, PRIMALAB Lab, Batna 05000, Algeria

[2] Univ Batna, Fac Sci, Dept Phys, Batna 05000, Algeria

来源：

PROCEEDINGS OF THE JMSM 2008 CONFERENCE | 2009年 / 2卷 / 03期

关键词：

enthalpy of formation; binary trasition metal compounds; d-band model; INTERMETALLIC COMPOUNDS; ZR;

D O I：

10.1016/j.phpro.2009.11.045

中图分类号：

O469 [凝聚态物理学];

学科分类号：

070205 ;

摘要：

D-band model is used to predict enthalpies of formation of binary transition metal alloys. One of the input parameters of the model namely bandwidth is optimized by refinement procedures based on ab initio calculations and reliable calometric data for Zr-, Hf- and Ti-compounds. Revised values of enthalpies of formation Delta H (for) for Zr- binary transition metal compounds using new values of bandwidth W *(Zr) = 7.24 are substantially improved. This improvement can be applied for other problematic cases in order to ameliorate results of Delta H (for) calculated by d-band model. (c) 2009 Elsevier B.V. All rights reserved

引用

页码：927 / 932

页数：6

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