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Full-Text Articles in Social and Behavioral Sciences
Molecular Dynamics Simulation On Generalized Stacking Fault Energies Of Fcc Metals Under Preloading Stress, Liang Zhang, Cheng Lu, A Kiet Tieu, Xing Zhao, Linqing Pei, Guillaume Michal
Molecular Dynamics Simulation On Generalized Stacking Fault Energies Of Fcc Metals Under Preloading Stress, Liang Zhang, Cheng Lu, A Kiet Tieu, Xing Zhao, Linqing Pei, Guillaume Michal
Faculty of Engineering and Information Sciences - Papers: Part A
Molecular dynamics (MD) simulations are performed to investigate the effects of stress on generalized stacking fault (GSF) energy of three fcc metals (Cu, Al, and Ni). The simulation model is deformed by uniaxial tension or compression in each of [111], [11-2], and [1-10] directions, respectively, before shifting the lattice to calculate the GSF curve. Simulation results show that the values of unstable stacking fault energy (γusf), stable stacking fault energy (γsf), and unstable twin fault energy (γutf) of the three elements can change with the preloaded tensile or compressive stress in different directions. The ratio of γsf/γusf, which is related …
The Shear Response Of Copper Bicrystals With Σ11 Symmetric And Asymmetric Tilt Grain Boundaries By Molecular Dynamics Simulation, Liang Zhang, Cheng Lu, A Kiet Tieu, Xing Zhao, Linqing Pei
The Shear Response Of Copper Bicrystals With Σ11 Symmetric And Asymmetric Tilt Grain Boundaries By Molecular Dynamics Simulation, Liang Zhang, Cheng Lu, A Kiet Tieu, Xing Zhao, Linqing Pei
Faculty of Engineering and Information Sciences - Papers: Part A
Grain boundaries (GBs) are important microstructure features and can significantly affect the properties of nanocrystalline materials. Molecular dynamics simulation was carried out in this study to investigate the shear response and deformation mechanisms of symmetric and asymmetric Σ11 tilt GBs in copper bicrystals. Different deformation mechanisms were reported, depending on GB inclination angles and equilibrium GB structures, including GB migration coupled to shear deformation, GB sliding caused by local atomic shuffling, and dislocation nucleation from GB. The simulation showed that migrating Σ11(1 1 3) GB under shear can be regarded as sliding of GB dislocations and their combination along the …
Figures Of Merit For Simultaneous Inference And Comparisons In Simulation Experiments, Noel A. Cressie, Sandy Burden
Figures Of Merit For Simultaneous Inference And Comparisons In Simulation Experiments, Noel A. Cressie, Sandy Burden
Faculty of Engineering and Information Sciences - Papers: Part A
2015 John Wiley & Sons, Ltd. This article considers the traditional figures of merit, namely, bias and mean squared (prediction) error, which are typically used to evaluate simulation experiments. We propose functions of them that account for different variables' units; these alternative figures of merit are closely tied to simultaneous multivariate inference on an unknown parameter vector or unknown state vector. Their usefulness is illustrated in a simulation experiment, where the goal is to determine the statistical properties associated with prediction of a multivariate state.