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dc.contributor.authorLatapie, Antoine Nicolasen_US
dc.date.accessioned2014-03-14T20:38:26Z
dc.date.available2014-03-14T20:38:26Z
dc.date.issued2002-05-20en_US
dc.identifier.otheretd-05242002-141644en_US
dc.identifier.urihttp://hdl.handle.net/10919/33176
dc.description.abstractCrack propagation studies in nanocrystalline alpha-iron samples with grain sizes ranging from 6 to 12 nm are reported at temperatures ranging from 100K to 600K using atomistic simulations. For all grain sizes, a combination of intragranular and intergranular fracture is observed. Mechanisms such as grain boundary accommodation, grain boundary triple junction, grain nucleation and grain rotation are observed to dictate the plastic deformation energy release. Intergranular fracture is shown to proceed by the coalescence of nanovoids formed at the grain boundaries ahead of the crack. The simulations also show that at an atomistic scale the fracture resistance and plastic deformation energy release mechanisms increase with increasing temperature. Finally a softening of the material occurs with decreasing grain size. The elastic properties are found to decrease and the fracture resistance to increase with decreasing grain size.en_US
dc.publisherVirginia Techen_US
dc.relation.haspartThesis_Latapie.pdfen_US
dc.rightsI hereby certify that, if appropriate, I have obtained and attached hereto a written permission statement from the owner(s) of each third party copyrighted matter to be included in my thesis, dissertation, or project report, allowing distribution as specified below. I certify that the version I submitted is the same as that approved by my advisory committee. I hereby grant to Virginia Tech or its agents the non-exclusive license to archive and make accessible, under the conditions specified below, my thesis, dissertation, or project report in whole or in part in all forms of media, now or hereafter known. I retain all other ownership rights to the copyright of the thesis, dissertation or project report. I also retain the right to use in future works (such as articles or books) all or part of this thesis, dissertation, or project report.en_US
dc.subjectmolecular staticsen_US
dc.subjectcomputer simulationen_US
dc.subjectfracture toughnessen_US
dc.subjectironen_US
dc.subjectFeen_US
dc.subjectfractureen_US
dc.subjectalpha iron.en_US
dc.subjectnanocrystallineen_US
dc.subjectcrack propagationen_US
dc.subjectmolecular dynamicsen_US
dc.titleMolecular Dynamics Investigation on the Fracture Behavior of Nanocrystalline Feen_US
dc.typeThesisen_US
dc.contributor.departmentMaterials Science and Engineeringen_US
dc.description.degreeMaster of Scienceen_US
thesis.degree.nameMaster of Scienceen_US
thesis.degree.levelmastersen_US
thesis.degree.grantorVirginia Polytechnic Institute and State Universityen_US
thesis.degree.disciplineMaterials Science and Engineeringen_US
dc.contributor.committeechairFarkas, Dianaen_US
dc.contributor.committeememberCorcoran, Sean Geralden_US
dc.contributor.committeememberReynolds, William T. Jr.en_US
dc.identifier.sourceurlhttp://scholar.lib.vt.edu/theses/available/etd-05242002-141644/en_US
dc.date.sdate2002-05-24en_US
dc.date.rdate2003-05-29
dc.date.adate2002-05-29en_US


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