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Keywords: Molecular Dynamics
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Proceedings Papers

Molecular Dynamics Modeling of Heat Transport in Metals and Semiconductors

Sreekant Narumanchi, Kwiseon Kim
Proc. ASME. IHTC14, 2010 14th International Heat Transfer Conference, Volume 6, 531-539, August 8–13, 2010
Paper No: IHTC14-23314
DOI: https://doi.org/10.1115/IHTC14-23314
... interfaces is very critical in power electronics packages used in hybrid electric vehicle applications. It is therefore important to understand the factors that govern and impact thermal transport at semiconductor/metal interfaces. Hence, in this study, we use classical molecular dynamics modeling...
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Topics: Aluminum, Heat, Metals, Modeling, Molecular dynamics, Semiconductors (Materials), Silicon, Thermal conductivity
Proceedings Papers

Analysis of Thermal Transport in Zinc Oxide Nanowires Using Molecular-Dynamics Simulations With the ReaxFF Reactive Force-Field

Arvind Krishnasamy Bharathi, Adri van Duin
Proc. ASME. IHTC14, 2010 14th International Heat Transfer Conference, Volume 6, 417-426, August 8–13, 2010
Paper No: IHTC14-22733
DOI: https://doi.org/10.1115/IHTC14-22733
... 09 03 2011 The objective of this paper is to determine the thermal conductivity of Zinc Oxide nanowire by Steady State Non-equilibrium and Transient Non-equilibrium Molecular Dynamics (SS-NEMD and T-NEMD) simulations using the ReaxFF reactive force field [5]. While SS-NEMD uses...
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Topics: Engineering simulation, Molecular dynamics, Nanowires, Simulation, Thermal conductivity