title: Size-dependent concentrations of thermal vacancies in solid films.
abstract: Solid films are considered as typical model systems to study size effects on thermal vacancy concentration in nanomaterials. By combining the generalized Young-Laplace equation with the chemical potential of vacancies, a strict size-dependent thermodynamic model of vacancies, which includes the surface intrinsic elastic parameters of the eigenstress, Young's modulus and the geometric size of the solid films, was established. The vacancy concentration changes in the film with respect to the bulk value, depending on the geometric size and surface stress sign of the solid films. Atomistic simulations of Au and Pt films verified the developed thermodynamic model. These results provide physical insights into the size-dependent thermal vacancy concentration in nanomaterials.
authors.affiliation: Corrosion and Protection Center, Key Laboratory for Environmental Fracture (MOE), University of Science and Technology Beijing, Beijing 100083, China. yjsu@ustb.edu.cn.
authors.forename: Panpan
authors.initials: P
authors.lastname: Gao
authors.affiliation: Corrosion and Protection Center, Key Laboratory for Environmental Fracture (MOE), University of Science and Technology Beijing, Beijing 100083, China. yjsu@ustb.edu.cn.
authors.forename: Quan
authors.initials: Q
authors.lastname: Wu
authors.affiliation: Corrosion and Protection Center, Key Laboratory for Environmental Fracture (MOE), University of Science and Technology Beijing, Beijing 100083, China. yjsu@ustb.edu.cn.
authors.forename: Xi
authors.initials: X
authors.lastname: Li
authors.affiliation: Corrosion and Protection Center, Key Laboratory for Environmental Fracture (MOE), University of Science and Technology Beijing, Beijing 100083, China. yjsu@ustb.edu.cn.
authors.forename: Hongxin
authors.initials: H
authors.lastname: Ma
authors.affiliation: Department of Chemical and Materials Engineering, University of Alberta, Edmonton, T6G 2 V4, Canada.
authors.forename: Hao
authors.initials: H
authors.lastname: Zhang
authors.affiliation: Department of Mechanical Engineering, University of South Florida, Tampa FL 33620, USA.
authors.forename: Alex A
authors.initials: AA
authors.lastname: Volinsky
authors.affiliation: Corrosion and Protection Center, Key Laboratory for Environmental Fracture (MOE), University of Science and Technology Beijing, Beijing 100083, China. yjsu@ustb.edu.cn.
authors.forename: Lijie
authors.initials: L
authors.lastname: Qiao
authors.affiliation: Corrosion and Protection Center, Key Laboratory for Environmental Fracture (MOE), University of Science and Technology Beijing, Beijing 100083, China. yjsu@ustb.edu.cn.
authors.forename: Yanjing
authors.initials: Y
authors.lastname: Su