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dc.contributor.authorHuberman, Samuel C.
dc.contributor.authorChiloyan, Vazrik
dc.contributor.authorDuncan, Ryan Andrew
dc.contributor.authorZeng, Lingping
dc.contributor.authorJia, Roger Qingfeng
dc.contributor.authorMaznev, Alexei
dc.contributor.authorFitzgerald, Eugene A
dc.contributor.authorNelson, Keith Adam
dc.contributor.authorChen, Gang
dc.date.accessioned2018-03-21T18:23:10Z
dc.date.available2018-03-21T18:23:10Z
dc.date.issued2017-10
dc.date.submitted2017-07
dc.identifier.issn2475-9953
dc.identifier.urihttp://hdl.handle.net/1721.1/114251
dc.description.abstractWe demonstrate the agreement between first-principles calculations and experimental measurements of size effects in thermal transport in SiGe alloys without fitting parameters. Transient thermal grating (TTG) is used to measure the effect of the grating period on the temperature decay. The virtual crystal approximation under the density-functional-theory framework combined with impurity scattering is used to determine the phonon properties for the exact alloy composition of the measured samples. With these properties, classical size effects are calculated for the experimental geometry of reflection mode TTG using the recently developed variational solution to the phonon Boltzmann transport equation, which is verified against established Monte Carlo simulations. We find agreement between theoretical predictions and experimental measurements in the reduction of thermal conductivity (as much as fourfold of the bulk value) across grating periods spanning one order of magnitude. This paper provides a framework for the study of size effects in thermal transport in opaque materials.en_US
dc.language.isoen_US
dc.publisherAmerican Physical Societyen_US
dc.relation.isversionofhttps://doi.org/10.1103/PhysRevMaterials.1.054601en_US
dc.rightsCreative Commons Attribution-Noncommercial-Share Alikeen_US
dc.rights.urihttp://creativecommons.org/licenses/by-nc-sa/4.0/en_US
dc.sourceGand Chenen_US
dc.titleUnifying first-principles theoretical predictions and experimental measurements of size effects in thermal transport in SiGe alloysen_US
dc.typeArticleen_US
dc.identifier.citationHuberman, Samuel et al. “Unifying First-Principles Theoretical Predictions and Experimental Measurements of Size Effects in Thermal Transport in SiGe Alloys.” Physical Review Materials 1, 5 (October 2017): 054601 © 2017 American Physical Societyen_US
dc.contributor.departmentMassachusetts Institute of Technology. Center for Materials Science and Engineeringen_US
dc.contributor.departmentMassachusetts Institute of Technology. Department of Chemistryen_US
dc.contributor.departmentMassachusetts Institute of Technology. Department of Mechanical Engineeringen_US
dc.contributor.approverSamuel Huberman; Vazrik Chiloyan; Ryan A. Duncan; Roger Jia; Alexei A. Maznev; Eugene A. Fitzgerald; Keith A. Nelson; Gang Chenen_US
dc.contributor.mitauthorHuberman, Samuel C.
dc.contributor.mitauthorChiloyan, Vazrik
dc.contributor.mitauthorDuncan, Ryan Andrew
dc.contributor.mitauthorZeng, Lingping
dc.contributor.mitauthorJia, Roger Qingfeng
dc.contributor.mitauthorMaznev, Alexei
dc.contributor.mitauthorFitzgerald, Eugene A
dc.contributor.mitauthorNelson, Keith Adam
dc.contributor.mitauthorChen, Gang
dc.relation.journalPhysical Review Materialsen_US
dc.eprint.versionOriginal manuscripten_US
dc.type.urihttp://purl.org/eprint/type/JournalArticleen_US
eprint.statushttp://purl.org/eprint/status/NonPeerRevieweden_US
dspace.orderedauthorsHuberman, Samuel; Chiloyan, Vazrik; Duncan, Ryan A.; Zeng, Lingping; Jia, Roger; Maznev, Alexei A.; Fitzgerald, Eugene A.; Nelson, Keith A.; Chen, Gangen_US
dspace.embargo.termsNen_US
dc.identifier.orcidhttps://orcid.org/0000-0003-0865-8096
dc.identifier.orcidhttps://orcid.org/0000-0002-2145-0890
dc.identifier.orcidhttps://orcid.org/0000-0002-8574-6033
dc.identifier.orcidhttps://orcid.org/0000-0001-8051-5378
dc.identifier.orcidhttps://orcid.org/0000-0002-9947-1341
dc.identifier.orcidhttps://orcid.org/0000-0002-1891-1959
dc.identifier.orcidhttps://orcid.org/0000-0001-7804-5418
dc.identifier.orcidhttps://orcid.org/0000-0002-3968-8530
mit.licenseOPEN_ACCESS_POLICYen_US


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