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Showing 1 to 9 of 9 for “"MEAM"”.
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First Principles-Based Interatomic Potentials for Modeling the Body-Centered Cubic Metals V, Nb, Ta, Mo, and W
… method (EAM) and modified embedded-atom method (MEAM) interatomic potentials for the body-centered cubic (bcc) metals V, Nb, Ta, Mo, and W from data generated by first-principles density-functional theory (DFT) calculations. Comparisons of a wide range of computed materials properties to DFT …
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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 …
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Additive Manufacturing of Commercial Polypropylene Grades of Similar Molecular Weight and Molecular Weight Distribution
… material extrusion additive manufacturing (MEAM) is an established technique in additive manufacturing (AM). However, semicrystalline polymers, such as polypropylene (PP), have limited commercial use in MEAM processes in the past due to their rapid crystallization kinetics and the subsequent …
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Developing a new interatomic potential and atomistic study of NiTiHf
… Modified Embedded Atom Method (2NN MEAM) interatomic potential has been developed to accurately represent the NiTiHf ternary system. Initially, the parameters of constituent unary and binary potentials were calibrated by fitting their reproduced results of physical properties to DFT …
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ATOMISTIC SIMULATION AND FIRST PRINCIPLES CALCULATION OF INTERFACIAL ENERGETICS OF GALVANIZED ADVANCED HIGH STRENGTH STEELS
… Fe-Mn-Si-C Modified Embedded Atom Method (MEAM) potential describing low alloy steels, we develop a seven-element second nearest neighbor (2NN) MEAM potential to describe multiple phases present at the interface between the steel substrate and the Zn overlay. The complex crystal structure …
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Energetics Calculation of {10-12} Twin Nucleation and Growth in Magnesium and Alloys using Density Functional Theory and Atomistic Simulation
… 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 is approximately 33.5 meV/atom from the MEAM …
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The Role of Triplet Exciton Lifetime in the Stability and Efficiency of Blue Phosphorescent OLEDs Or Why Even The Brightest OLEDs Have a Dark Side
… Using magnetic exciton annihilation modulation (MEAM) on phosphorescent OLEDS we show that non-emissive, ’dark’, excitons play a dominant role in efficiency roll-off and degradation. Dissociating dark triplets, we achieve a 2.5-times decrease in roll and degradation as well as a two-times …
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Hubungan self esteem dengan orientasi masa depan pada siswa SMA kelas XI di SMA Negeri 3 Malang
… a value of P = 0.000 (rxy = 0.496). This meam there is a significant and positive relationship between self esteem with a future orientation at senior high school 3 Malang. The result showed the level of self esteem in nine Class at senior high school students 3 Malang majority are at the …
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Methods for Accurately Modeling Complex Materials
We investigate and benchmark a variety of computational methods for accurately modeling complex materials. We focus on three specific methods used to examine systems with real world interest: screened hybrid density functional theory (DFT) used for accurate treatment of band gaps in semiconductors, …