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Assessment, improvement, and comparison of different computational tools used for the simulation of heat transport in nanostructures

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In this work we compare different implementations of two interatomic potential models, one the empirical Tersoff–Brenner and the other the semi-empirical tight-binding, to be used in the thermal tr... Click to show full abstract

In this work we compare different implementations of two interatomic potential models, one the empirical Tersoff–Brenner and the other the semi-empirical tight-binding, to be used in the thermal tr...

Keywords: improvement comparison; assessment improvement; computational tools; comparison different; simulation; different computational

Journal Title: Simulation
Year Published: 2021

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