Passing waves from atomistic to continuum

dc.contributor.author Xiong, Liming
dc.contributor.author Diaz, Adrian
dc.contributor.author Xiong, Liming
dc.contributor.author McDowell, David L.
dc.contributor.author Chen, Youping
dc.contributor.department Aerospace Engineering
dc.date.accessioned 2022-02-17T22:34:12Z
dc.date.available 2022-02-17T22:34:12Z
dc.date.issued 2018-02-01
dc.description.abstract Progress in the development of coupled atomistic–continuum methods for simulations of critical dynamic material behavior has been hampered by a spurious wave reflection problem at the atomistic–continuum interface. This problem is mainly caused by the difference in material descriptions between the atomistic and continuum models, which results in a mismatch in phonon dispersion relations. In this work, we introduce a new method based on atomistic dynamics of lattice coupled with a concurrent atomistic–continuum method to enable a full phonon representation in the continuum description. This permits the passage of short-wavelength, high-frequency phonon waves from the atomistic to continuum regions. The benchmark examples presented in this work demonstrate that the new scheme enables the passage of all allowable phonons through the atomistic–continuum interface; it also preserves the wave coherency and energy conservation after phonons transport across multiple atomistic–continuum interfaces. This work is the first step towards developing a concurrent atomistic–continuum simulation tool for non-equilibrium phonon-mediated thermal transport in materials with microstructural complexity.
dc.description.comments This is a manuscript of an article published as Chen, Xiang, Adrian Diaz, Liming Xiong, David L. McDowell, and Youping Chen. "Passing waves from atomistic to continuum." Journal of Computational Physics 354 (2018): 393-402. DOI: 10.1016/j.jcp.2017.10.038. Copyright 2017 Elsevier Inc. Attribution-NonCommercial-NoDerivatives 4.0 International (CC BY-NC-ND 4.0). Posted with permission.
dc.identifier.uri https://dr.lib.iastate.edu/handle/20.500.12876/jw276Rxv
dc.language.iso en_US
dc.publisher Elsevier Ltd.
dc.source.uri https://doi.org/10.1016/j.jcp.2017.10.038 *
dc.subject DegreeDisciplines::Engineering::Aerospace Engineering::Structures and Materials
dc.subject DegreeDisciplines::Physical Sciences and Mathematics::Physics::Atomic, Molecular and Optical Physics
dc.title Passing waves from atomistic to continuum
dc.type Article
dspace.entity.type Publication
relation.isAuthorOfPublication 19ad205a-f06f-45c3-a6bf-79d9d1d97a68
relation.isOrgUnitOfPublication 047b23ca-7bd7-4194-b084-c4181d33d95d
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