From coherent to incoherent mismatched interfaces. A generalized continuum formulation of surface stresses

Dingreville, Rémi; Hallil, Abdelmalek; Berbenni, Stéphane

doi:10.1016/j.jmps.2014.08.003

Title: From coherent to incoherent mismatched interfaces. A generalized continuum formulation of surface stresses

Journal Article · 19 August 2014 · Journal of the Mechanics and Physics of Solids

DOI: https://doi.org/10.1016/j.jmps.2014.08.003 · OSTI ID:1140603

Dingreville, Rémi ^[1];

^[2]; Berbenni, Stéphane ^[3]

Sandia National Lab. (SNL-NM), Albuquerque, NM (United States)
Georgia Inst. of Technology, Atlanta, GA (United States)
Univ. de Lorraine, Metz (France)

The equilibrium of coherent and incoherent mismatched interfaces is reformulated in the context of continuum mechanics based on the Gibbs dividing surface concept. Two surface stresses are introduced: a coherent surface stress and an incoherent surface stress, as well as a transverse excess strain. Additionally, the coherent surface stress and the transverse excess strain represent the thermodynamic driving forces of stretching the interface while the incoherent surface stress represents the driving force of stretching one crystal while holding the other fixed and thereby altering the structure of the interface. These three quantities fully characterize the elastic behavior of coherent and incoherent interfaces as a function of the in-plane strain, the transverse stress and the mismatch strain. The isotropic case is developed in detail and particular attention is paid to the case of interfacial thermo-elasticity. This exercise provides an insight on the physical significance of the interfacial elastic constants introduced in the formulation and illustrates the obvious coupling between the interface structure and its associated thermodynamics quantities. Finally, an example based on atomistic simulations of Cu/Cu₂O interfaces is given to demonstrate the relevance of the generalized interfacial formulation and to emphasize the dependence of the interfacial thermodynamic quantities on the incoherency strain with an actual material system.

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Research Organization:: Sandia National Lab. (SNL-NM), Albuquerque, NM (United States)

Sponsoring Organization:: USDOE National Nuclear Security Administration (NNSA)

Grant/Contract Number:: AC04-94AL85000

OSTI ID:: 1140603

Report Number(s):: SAND-2014-0605J; PII: S0022509614001628

Journal Information:: Journal of the Mechanics and Physics of Solids, Vol. 72, Issue C; ISSN 0022-5096

Publisher:: ElsevierCopyright Statement

Country of Publication:: United States

Language:: English

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Semicoherent oxide heterointerfaces: Structure, properties, and implications Uberuaga, Blas Pedro; Dholabhai, Pratik P.; Pilania, Ghanshyam APL Materials, Vol. 7, Issue 10 https://doi.org/10.1063/1.5121027	journal	October 2019
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Correlation between vacancy formation and Σ3 grain boundary structures in nickel from atomistic simulations Hallil, Abdelmalek; Metsue, Arnaud; Bouhattate, Jamâa Taylor & Francis https://doi.org/10.6084/m9.figshare.3442898.v1	text	January 2016
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Related Subjects

71 CLASSICAL AND QUANTUM MECHANICS
GENERAL PHYSICS
surface stresses
interface properties
mismatch
grain boundaries
generalized Shuttleworth relationship