First-Principles Calculation of Transport Coefficients
نویسندگان
چکیده
منابع مشابه
First-Principles Calculation of Transport Coefficients
We demonstrate the practical feasibility of calculating transport coefficients such as the viscosity of liquids completely from first principles using the Green-Kubo relations. Results presented for liquid aluminum are shown to have a statistical error of only ca. 5%. The importance of such calculations is illustrated by results for a liquid iron-sulfur alloy under Earth’s core conditions, whic...
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ژورنال
عنوان ژورنال: Physical Review Letters
سال: 1998
ISSN: 0031-9007,1079-7114
DOI: 10.1103/physrevlett.81.5161