Interface-energy calculation for Ag/Ni twist boundaries with MAEAM | Zendy

Zhang Jian-min | Zendy; Hong Xin | Zendy; Wei Xiu-Mei | Zendy

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Interface-energy calculation for Ag/Ni twist boundaries with MAEAM

Author(s) -

Zhang Jian-min,

Hong Xin,

Wei Xiu-Mei

Publication year - 2005

Publication title -

acta physica sinica

Language(s) - English

Resource type - Journals

SCImago Journal Rank - 0.199

H-Index - 47

ISSN - 1000-3290

DOI - 10.7498/aps.54.237

Subject(s) - twist , boundary (topology) , materials science , energy (signal processing) , energy minimization , interface (matter) , total energy , crystallography , condensed matter physics , geometry , physics , chemistry , composite material , contact angle , mathematical analysis , mathematics , quantum mechanics , psychology , sessile drop technique , displacement (psychology) , psychotherapist

Interface-energies of Ag(111)//Ni(001) and Ag(001)//Ni(111) twist boundaries have been calculated with the modified afom-embeded analysis method(MAEAM). The results show that, for Ag(111)//Ni(001) twist boundary, the lowest energy is corresponding to the twist angle θ=0° (or 30°), this preferable twist angle orientation is consistent with the experimental results reported in the literature. For Ag(001)//Ni(111) twist boundary, similarly, the lowest energy is corresponding to θ=0° (or 30°). From interface energy minimization, the preferable twist angle is 0° (or 30°) for Ag(001)//Ni(111) twist boundary too.

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