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Showing 1 to 4 of 4 for “"EAM potentials"”.
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Atomic Simulations of PD-H and HI-H Using EAM Potentials
… on 2017-07-06T18:42:12Z (GMT). No. of bitstreams: 3 Aktas_Ayten_C_MS.pdf: 43785060 bytes, checksum: 7c5e787622ceaed008541b22f297379e (MD5) Aktas_Ayten_C_MS_ABS.pdf: 502525 bytes, checksum: 94b9ca91c351f84f71fecb7c6687db9b (MD5) license.txt: 4813 bytes, checksum: …
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A Novel Shape Memory Behavior of Single-crystalline Metal Nanowires
… dynamics simulations with embedded-atom method (EAM) potentials are used. A novel shape memory effect and pseudoelastic behavior of single-crystalline FCC metal (Cu, Ni, and Au) nanowires are discovered. Specifically, upon tensile loading and unloading, these wires can recover elongations of up …
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Phase-and-Defect Diagrams for Polycrystalline Grain Boundary Segregation
… 200 available embedded atom method (EAM) potentials to construct a large-scale database of spectral parameters for binary alloys beyond the dilute limit. This work makes accessible, for the first time, fully spectral segregation parameters at finite concentrations. Additionally, it …
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On the application of machine-learning to the study of glass-formation in metallic systems: Prediction, optimisation, and characterisation of novel glassy alloys
… requiring the use of approximate inter-atomic potentials. Due to the novelty of the alloy composition selected from GA output, namely aluminium-ytterbium, the creation of new interatomic potentials is required. Classical embedded-atom-method (EAM) potentials and machine-learning-based Gaussian …