Molecular Dynamics Investigation on the Fracture Behavior of Nanocrystalline Fe

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dc.contributor.authorLatapie, Antoine Nicolasen
dc.contributor.committeechairFarkas, Dianaen
dc.contributor.committeememberCorcoran, Sean G.en
dc.contributor.committeememberReynolds, William T. Jr.en
dc.contributor.departmentMaterials Science and Engineeringen
dc.date.accessioned2014-03-14T20:38:26Zen
dc.date.adate2002-05-29en
dc.date.available2014-03-14T20:38:26Zen
dc.date.issued2002-05-20en
dc.date.rdate2003-05-29en
dc.date.sdate2002-05-24en
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
dc.description.degreeMaster of Scienceen
dc.identifier.otheretd-05242002-141644en
dc.identifier.sourceurlhttp://scholar.lib.vt.edu/theses/available/etd-05242002-141644/en
dc.identifier.urihttp://hdl.handle.net/10919/33176en
dc.publisherVirginia Techen
dc.relation.haspartThesis_Latapie.pdfen
dc.rightsIn Copyrighten
dc.rights.urihttp://rightsstatements.org/vocab/InC/1.0/en
dc.subjectmolecular staticsen
dc.subjectcomputer simulationen
dc.subjectfracture toughnessen
dc.subjectironen
dc.subjectFeen
dc.subjectfractureen
dc.subjectalpha iron.en
dc.subjectnanocrystallineen
dc.subjectcrack propagationen
dc.subjectmolecular dynamicsen
dc.titleMolecular Dynamics Investigation on the Fracture Behavior of Nanocrystalline Feen
dc.typeThesisen
thesis.degree.disciplineMaterials Science and Engineeringen
thesis.degree.grantorVirginia Polytechnic Institute and State Universityen
thesis.degree.levelmastersen
thesis.degree.nameMaster of Scienceen

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