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

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 incoherencymore » strain with an actual material system.« less
 [1] ;  [2] ;  [3]
  1. Sandia National Lab. (SNL-NM), Albuquerque, NM (United States)
  2. Georgia Inst. of Technology, Atlanta, GA (United States)
  3. Univ. de Lorraine, Metz (France)
Publication Date:
OSTI Identifier:
Report Number(s):
Journal ID: ISSN 0022-5096; PII: S0022509614001628
Grant/Contract Number:
Accepted Manuscript
Journal Name:
Journal of the Mechanics and Physics of Solids
Additional Journal Information:
Journal Volume: 72; Journal Issue: C; Journal ID: ISSN 0022-5096
Research Org:
Sandia National Laboratories (SNL-NM), Albuquerque, NM (United States)
Sponsoring Org:
USDOE National Nuclear Security Administration (NNSA)
Country of Publication:
United States
71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSICS surface stresses; interface properties; mismatch; grain boundaries; generalized Shuttleworth relationship