THE MULTISCALE MODEL COMBINING ELASTIC THEORY WITH AB INITIO CALCULATIONS FOR METAL–CERAMIC INTERFACES

DOI10.1142/S0217984908017667zbMath1156.82401MaRDI QIDQ3614048

Ying Zhang, Yugui Yao

Publication date: 16 March 2009

Published in: Modern Physics Letters B (Search for Journal in Brave)

zbMATH Keywords

interfacemultiscale modelab initio calculationmisfit dislocation

Mathematics Subject Classification ID

Micromechanical theories (74A60) Statistical mechanics of solids (82D20) Lattice systems (Ising, dimer, Potts, etc.) and systems on graphs arising in equilibrium statistical mechanics (82B20) Statistical mechanics of metals (82D35)

Cites Work

• Unnamed Item
• Density-functional theory calculations for poly-atomic systems: Electronic structure, static and elastic properties and ab initio molecular dynamics

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