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Description We work with scientists in other NIST laboratories to develop tools for computer simulation and analysis of magnetic systems at the nanometer scale. Model verification is achieved by comparison
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and other complex fluids using molecular simulations. In order to make these simulations more computationally feasible, development of coarse-grained models and new Monte Carlo or molecular dynamics
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RAP opportunity at National Institute of Standards and Technology NIST Identifying Material Behavior from Measurements and Simulations in Advanced Mechanical Testing Location Material
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formulation must be linked seamlessly. We will develop a Green’s function (GF) method for modeling color centers and other defects in nanodiamonds. The GF technique is computationally efficient and can simulate
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for accelerated science. This research opportunity focuses on developing, evaluating, and applying computational methods for materials characterization and/or simulation that combine the best aspects of physics
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approach must be combined with mechanistic models that describe the specific microstructure elements. A variety of inputs from both experimental work and simulations (i.e., first principle, atomistic, and/or
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for postdoctoral applicants to develop SEM reference samples in NIST’s NanoFab and to develop models to simulate electron scattering, secondary electron generation, electron transport, scattering in gases
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be possible; and modeling results will be used to interpret experimental data and to guide subsequent experimental work. key words DFT; 2D materials; Electronic devices; Simulation; Transport
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on github . [1] L.M. Hale, Z.T. Trautt, and C.A. Becker (2018), "Evaluating variability with atomistic simulations: the effect of potential and calculation methodology on the modeling of lattice and elastic
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. Emphasis is placed on model validation against both high-fidelity finite element simulations and experimental tests of structural subassemblies. Keywords Blast loading; Computational modeling; Finite element