Physical Origin of the Mechanochemical Coupling at Interfaces

نویسندگان

چکیده

We used density functional theory (DFT) calculations to investigate the physical origin of mechano-chemical response materials interfaces. Our results show that can be decomposed into contribution from interface itself (deformation interfacial bonds) and a underlying solid. The relative contributions depend on stiffness these regions contact geometry, which affects stress distribution within bulk region. demonstrate that, contrary what is commonly assumed, activation volume elastic deformation surrounding significant and, in some case, may dominant. also mechanochemical interfaces should finite due effects near-surface indicate large range volumes measured previous experiments even for same material system might originate different degrees probed vs. interface.

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ژورنال

عنوان ژورنال: Physical Review Letters

سال: 2021

ISSN: ['1079-7114', '0031-9007', '1092-0145']

DOI: https://doi.org/10.1103/physrevlett.126.076001