Methodology

Jihong Al-Ghalith, Traian Dumitrica

Research output: Chapter in Book/Report/Conference proceedingChapter

Abstract

There are important methodological considerations underlying the study of thermal transport in nonmetallic solids. Unlike other simulation methods such as applying the Boltzmann transport equation, molecular dynamics can capture nonlinear interactions between particles described by classical interatomic potentials and hence more closely recapitulates the true physical properties of materials. In this chapter, we introduce some popular methods and numerical techniques for classical molecular dynamics, along with a brief discussion of theoretical and physical properties that can be derived from molecular dynamics simulations.

Original languageEnglish (US)
Title of host publicationSpringerBriefs in Applied Sciences and Technology
PublisherSpringer Verlag
Pages17-26
Number of pages10
Edition9783319738819
DOIs
StatePublished - Jan 1 2018

Publication series

NameSpringerBriefs in Applied Sciences and Technology
Number9783319738819
ISSN (Print)2191-530X
ISSN (Electronic)2191-5318

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