First principles thermodynamics of alloys
نویسندگان
چکیده
منابع مشابه
First-principles simulation of supercooled liquid alloys.
Accurate simulation of multicomponent alloys demands a first-principles approach because empirical potentials become increasingly inaccurate and difficult to develop with each additional constituent element. In contrast, the computational difficulty of simulating an alloy from first principles remains essentially independent of the number of elements. However, equilibration times increase with ...
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ژورنال
عنوان ژورنال: Le Journal de Physique IV
سال: 1993
ISSN: 1155-4339
DOI: 10.1051/jp4:19937312