Stress effects on atomistic kinetic transitions

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.

Department dc:contributor.department

Massachusetts Institute of Technology. Department of Mechanical Engineering.

Grantor dc:publisher

Massachusetts Institute of Technology

Year dc:date.issued

2016

Author dc:creator

• Ball, Sabrina Lillian

Advisor dc:contributor.advisor

• Christopher Schuh and Ken Kamrin.

• Mechanical Engineering.

Statement dc:rights

• 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.

Licence dc:rights.uri

• http://dspace.mit.edu/handle/1721.1/7582

Language dc:language.iso

eng

Handle dc:identifier.uri

http://hdl.handle.net/1721.1/104145

OAI identifier oai:identifier

oai:dspace.mit.edu:1721.1/104145