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Showing 1 to 4 of 4 for “"MEAM potential"”.
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Developing a new interatomic potential and atomistic study of NiTiHf
… alloys, NiTiHf has shown to have great potential, by having high transformation temperatures, lower preparation cost and good thermal stability. However, until today, most studies conducted on NiTiHf have focused on a limited range of compositions due to the difficulties and high cost of …
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ATOMISTIC SIMULATION AND FIRST PRINCIPLES CALCULATION OF INTERFACIAL ENERGETICS OF GALVANIZED ADVANCED HIGH STRENGTH STEELS
… multiple elements and phases, an interatomic potential with high fidelity is needed. Current research on galvanizing coating interface is restricted to calculations at the electronic scale. Mesoscale method such as phase field modeling was also restricted due to the lack of physical properties …
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Energetics Calculation of {10-12} Twin Nucleation and Growth in Magnesium and Alloys using Density Functional Theory and Atomistic Simulation
… MD simulations, the embedded atom method (EAM) potential and modified embedded atom method (MEAM) potentials are used. All simulations are conducted with perfect single crystals with no defect in the initial systems. The result shows that the energy barrier for {"10" "1" ̅"2" } twin nucleation …
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Nanoscale solidification of metals by atomistic simulations: From nucleation to nanostructural evolution
… neighbor modified embedded atom method (2NN-MEAM) potentials. Spontaneous homogenous nucleation from the melt was produced without any influence of pressure, free surface effects and impurities. We also study the effect on the simulation size on homogenous nucleation and the heterogeneity in …