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to increase usage by the community. [1] https://doi.org/10.1039/C9SM01877H [2] https://doi.org/10.1063/1.5123683 [3] https://doi.org/10.6028/jres.123.004 key words Molecular simulation; Monte Carlo
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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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