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dc.contributor.advisorZhang, Yuwen, 1965-eng
dc.contributor.authorJi, Pengfeieng
dc.date.issued2013eng
dc.date.submitted2013 Springeng
dc.descriptionTitle from PDF of title page (University of Missouri--Columbia, viewed on September 10, 2013).eng
dc.descriptionThe entire thesis text is included in the research.pdf file; the official abstract appears in the short.pdf file; a non-technical public abstract appears in the public.pdf file.eng
dc.descriptionThesis advisor: Dr. Yuwen Zhangeng
dc.descriptionIncludes bibliographical references.eng
dc.descriptionM.S. University of Missouri--Columbia 2013.eng
dc.descriptionDissertations, Academic -- University of Missouri--Columbia -- Mechanical and aerospace engineering.eng
dc.description"May 2013"eng
dc.description.abstractIn this thesis, ab initio molecular dynamics simulation based on a plane wave/pseudopotential implementation of density functional theory was adopted to investigate nanoscale heat transfer and energy conversions for semiconductors. The first one investigates the heat conduction process occurring in Si/Ge superlattices at selected stages from the initial point of nonzero temperature gradient to the final state of thermal equilibrium. The second one studies the thermal energy transportation phenomena spanning from heat conduction of thermal radiation with the modeling of variable gap distances in different thin layer systems. The third one presents an ab initio molecular dynamics study of femtosecond laser processing of germanium. As the first work of studying the nanoscale energy transport spanning from heat conduction to thermal radiation and the femtosecond laser material interaction in mechanical engineering, the simulation results highlight the promising application of the first-principles molecular dynamics in thermal engineering. We believe our results and the conclusion drawn will be quite useful in helping to resolving the heat transfer and energy conversion problem during the miniaturization of integrated circuits and molecular electronics.eng
dc.format.extentxvi, 93 pageseng
dc.identifier.urihttp://hdl.handle.net/10355/37960
dc.languageEnglisheng
dc.publisherUniversity of Missouri--Columbiaeng
dc.relation.ispartofcommunityUniversity of Missouri--Columbia. Graduate School. Theses and Dissertationseng
dc.sourceSubmitted by the University of Missouri--Columbia Graduate Schooleng
dc.subjectenergy conversioneng
dc.subjectheat transfereng
dc.subjectsuperlatticeeng
dc.subjectnanoscaleeng
dc.titleAb initio molecular dynamics study of nanoscale heat transfer and energy conversioneng
dc.typeThesiseng
thesis.degree.disciplineMechanical and aerospace engineering (MU)eng
thesis.degree.grantorUniversity of Missouri--Columbiaeng
thesis.degree.levelMasterseng
thesis.degree.nameM.S.eng


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