Large-Scale Screening of Interface Parameters in the WC/W System Using Classical Force Field and First-Principles Calculations | Zendy

Emil Edin | Zendy; Andreas Blomqvist | Zendy; Wei Luo | Zendy; Rajeev Ahuja | Zendy

Open Access

Large-Scale Screening of Interface Parameters in the WC/W System Using Classical Force Field and First-Principles Calculations

Author(s) -

Emil Edin,

Andreas Blomqvist,

Wei Luo,

Rajeev Ahuja

Publication year - 2021

Publication title -

the journal of physical chemistry c

Language(s) - English

Resource type - Journals

SCImago Journal Rank - 1.401

H-Index - 289

eISSN - 1932-7455

pISSN - 1932-7447

DOI - 10.1021/acs.jpcc.0c11485

Subject(s) - materials science , interface (matter) , machining , adhesion , scale (ratio) , surface (topology) , computation , field (mathematics) , work (physics) , molecular dynamics , force field (fiction) , ab initio , nanotechnology , mechanical engineering , computer science , metallurgy , composite material , geometry , physics , computational chemistry , contact angle , chemistry , engineering , mathematics , sessile drop technique , quantum mechanics , algorithm , artificial intelligence , pure mathematics

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