First-Principles Study on Properties of Ni-SiC<sub>NP</sub>
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چکیده
منابع مشابه
First-principles study of interfacial boundaries in Ni–Ni3Al
The width and energy of low-index interfacial boundaries (IFBs) in Ni–Ni3Al are calculated using first-principles methods for temperatures ranging from 0 to 1300 K. The low-temperature, coherent and chemically sharp (100), (110) and (111) IFBs are studied using conventional spin-polarized density functional methods. Cluster expansion methods, as implemented in the ATAT software suite, are used ...
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The width and energy of low-index interfacial boundaries (IFBs) in Ni–Ni3Al are calculated using first-principles methods for temperatures ranging from 0 to 1300 K. The low-temperature, coherent and chemically sharp (100), (110) and (111) IFBs are studied using conventional spin-polarized density functional methods. Cluster expansion methods, as implemented in the ATAT software suite, are used ...
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ژورنال
عنوان ژورنال: Applied Physics
سال: 2018
ISSN: 2160-7567,2160-7575
DOI: 10.12677/app.2018.82012