A first-principles thermodynamic approach to ordering in binary alloys
نویسندگان
چکیده
منابع مشابه
A FIRST-PRINCIPLES THERMODYNAMIC APPROACH TO ORDERING IN Ni-Mo ALLOYS
There is a competition between several face centered cubic (FCC)-based ordered inter-metallic phases in Ni-Mo alloys containing 8-33 at% Mo. The transformation behavior of these alloys in terms of ordering instabilities has been studied. First-principles tight-binding-linear muffin-tin orbital (TB-LMTO) method coupled with augmented space recursion (ASR) in conjunction with orbital peeling (OP)...
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Ohad Levy,1,2 Junkai Xue,1 Shidong Wang,1 Gus L. W. Hart,3 and Stefano Curtarolo1,* 1Department of Mechanical Engineering and Materials Science and Department of Physics, Duke University, Durham, North Carolina 27708, USA 2Department of Physics, NRCN, P.O. Box 9001, IL Beer-Sheva, 84190 Israel 3Department of Physics and Astronomy, Brigham Young University, Provo, Utah 84602, USA (Received 10 Oc...
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ژورنال
عنوان ژورنال: Bulletin of Materials Science
سال: 2003
ISSN: 0250-4707,0973-7669
DOI: 10.1007/bf02712791