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Kim, Sung Youb
Computational Advanced Nanomechanics (CAN) Lab
Research Interests
  • Computational Mechanics
  • Nanomechanics
  • Molecular Dynamics
  • FEM


Atomistic calculations of interface elastic properties in noncoherent metallic bilayers

DC Field Value Language Mi, Changwen ko Jun, Sukky ko Kouris, Demitris A. ko Kim, Sung Youb ko 2014-10-17T08:39:14Z - 2014-10-16 ko 2008-02 -
dc.identifier.citation PHYSICAL REVIEW B, v.77, no.7, pp.075425 - ko
dc.identifier.issn 2469-9950 ko
dc.identifier.uri -
dc.identifier.uri ko
dc.description.abstract The paper describes theoretical and computational studies associated with the interface elastic properties of noncoherent metallic bicrystals. Analytical forms of interface energy, interface stresses, and interface elastic constants are derived in terms of interatomic potential functions. Embedded-atom method potentials are then incorporated into the model to compute these excess thermodynamics variables, using energy minimization in a parallel computing environment. The proposed model is validated by calculating surface thermodynamic variables and comparing them with preexisting data. Next, the interface elastic properties of several fcc-fcc bicrystals are computed. The excess energies and stresses of interfaces are smaller than those on free surfaces of the same crystal orientations. In addition, no negative values of interface stresses are observed. Current results can be applied to various heterogeneous materials where interfaces assume a prominent role in the systems' mechanical behavior. ko
dc.description.statementofresponsibility open -
dc.language ENG ko
dc.publisher AMER PHYSICAL SOC ko
dc.subject SURFACE-STRESS ko
dc.subject METHOD MODEL ko
dc.subject EQUILIBRIUM ko
dc.subject MULTILAYERS ko
dc.subject SOLIDS ko
dc.subject FCC ko
dc.title Atomistic calculations of interface elastic properties in noncoherent metallic bilayers ko
dc.type ARTICLE ko
dc.identifier.scopusid 2-s2.0-40949116214 ko
dc.identifier.wosid 000253764200144 ko
dc.type.rims ART ko
dc.description.wostc 32 *
dc.description.scopustc 27 * 2015-05-06 * 2014-10-16 *
dc.identifier.doi 10.1103/PhysRevB.77.075425 ko
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