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• W2091289188 abstract "Abstract The study aims at exploring the elastic properties of orthorhombic Cu 3 Sn crystals through a proposed molecular dynamics (MD) simulation model based on the modified embedded atom method (MEAM) and nanoindentation testing. The focuses of the study are placed on their dependence on the crystal size and direction. The electronic nature of single crystal Cu 3 Sn is also examined by using first-principles calculations based on density function theory (DFT). According to continuum mechanics, the elastic stiffness coefficients of the single crystal Cu 3 Sn are derived from the calculated energy, and used in the generalized Hook’s law in compliance form to compute the associated elastic constants. The simulated elastic properties are compared with the results of the published first-principles calculations. For comparison with the present nanoindentation finding and the other published experimental data, the effective elastic properties of the polycrystalline Cu 3 Sn together with their size dependence are also derived using the Voigt–Reuss bounds and Voigt–Reuss–Hill average based on the calculated single crystal data. The simulation results show that the orthorhombic Cu 3 Sn crystals exhibit a high elastic anisotropy, which has been also confirmed by the electronic structure analysis, and also a strong size and direction dependence of elasticity. In addition, the calculated effective elastic properties of the polycrystalline Cu 3 Sn agree well with the present nanoindentation results and the published theoretical/experimental data." @default.
• W2091289188 created "2016-06-24" @default.
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• W2091289188 date "2012-08-01" @default.
• W2091289188 modified "2023-09-27" @default.
• W2091289188 title "Crystal size and direction dependence of the elastic properties of Cu3Sn through molecular dynamics simulation and nanoindentation testing" @default.
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• W2091289188 doi "https://doi.org/10.1016/j.microrel.2012.03.009" @default.
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