Ab initioinvestigation of Ti2Al(C,N) solid solutions
نویسندگان
چکیده
منابع مشابه
Ab initio chemical potentials of solid and liquid solutions and the chemistry of the Earth’s core
A general set of methods is presented for calculating chemical potentials in solid and liquid mixtures using ab initio techniques based on density functional theory ~DFT!. The methods are designed to give an ab initio approach to treating chemical equilibrium between coexisting solid and liquid solutions, and particularly the partitioning ratios of solutes between such solutions. For the liquid...
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ژورنال
عنوان ژورنال: Physical Review B
سال: 2011
ISSN: 1098-0121,1550-235X
DOI: 10.1103/physrevb.84.134112