2026-09-19T09:51:00Zhttps://dspace.mit.edu/server/oai/requestoai:dspace.mit.edu:1721.1/1041452022-01-13T07:54:05Zcom_1721.1_7582com_1721.1_7581col_1721.1_131023
Christopher Schuh and Ken Kamrin.
Ball, Sabrina Lillian
Massachusetts Institute of Technology. Department of Mechanical Engineering.
Massachusetts Institute of Technology. Department of Mechanical Engineering
2016-09-13T18:09:45Z
2016-09-13T18:09:45Z
2016
2016
http://hdl.handle.net/1721.1/104145
958163336
Thesis: S.M., Massachusetts Institute of Technology, Department of Mechanical Engineering, 2016.
This electronic version was submitted by the student author. The certified thesis is available in the Institute Archives and Special Collections.
Cataloged from student-submitted PDF version of thesis.
Includes bibliographical references (pages 145-150).
In this thesis, I studied how the full tensorial stress state applied to a kinetic transition impacts the activation enthalpy. To this end, the activation energy, scalar activation volume, and tensorial activation volume were studied for several kinetic transition types. This computational study used the nudged elastic band method to find the activation state for initial and final configurations known a priori, primarily from the kinetic activation relaxation technique. The preliminary work was verified by a commonly studied and well understood vacancy generation and migration to an adjacent lattice cite in FCC copper and HCP titanium. The method was then applied to transitions of increasing complexity: point defect generation in a perfect copper crystal, and grain boundary transitions in the [Sigma] 5 [210] grain boundary in copper.
by Sabrina Lillian Ball.
S.M.
150 pages
eng
Massachusetts Institute of Technology
M.I.T. theses are protected by copyright. They may be viewed from this source for any purpose, but reproduction or distribution in any format is prohibited without written permission. See provided URL for inquiries about permission.
http://dspace.mit.edu/handle/1721.1/7582
Mechanical Engineering.
Stress effects on atomistic kinetic transitions
Thesis
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<Abstract>In this thesis, I studied how the full tensorial stress state applied to a kinetic transition impacts the activation enthalpy. To this end, the activation energy, scalar activation volume, and tensorial activation volume were studied for several kinetic transition types. This computational study used the nudged elastic band method to find the activation state for initial and final configurations known a priori, primarily from the kinetic activation relaxation technique. The preliminary work was verified by a commonly studied and well understood vacancy generation and migration to an adjacent lattice cite in FCC copper and HCP titanium. The method was then applied to transitions of increasing complexity: point defect generation in a perfect copper crystal, and grain boundary transitions in the [Sigma] 5 [210] grain boundary in copper.</Abstract>
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