Investigations of interface phenomena via atomistic simulation

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dc.contributor.advisorMishin, Yuri
dc.contributor.authorHickman, James Francis
dc.creatorHickman, James Francis
dc.date.accessioned2018-10-22T01:19:52Z
dc.date.available2018-10-22T01:19:52Z
dc.date.issued2017
dc.description.abstractIn the first section of the thesis we examine a phenomenon known as grain boundary (GB) pre-melting in binary systems. Many GBs develop highly disordered, liquid-like structures at high temperatures. In alloys, this effect is less understood as it can be fueled by solute segregation to the boundary. In single component systems, pre-melted GBs are often modeled by a thin liquid layer located between two solid-liquid interfaces interacting via a disjoining potential. We have extended this formalism to binary systems and proposed a single analytical form of the disjoining potential that describes repulsive, attractive and intermediate interactions. The potential is verified by Monte Carlo simulations of three different GBs in Cu-Ag alloys modeled using an embedded atom potential. The proposed approach is generic and can be applied to other alloys in the future.
dc.format.extent147 pages
dc.identifier.urihttps://hdl.handle.net/1920/11271
dc.language.isoen
dc.rightsCopyright 2017 James Francis Hickman
dc.subjectMaterials Science
dc.subjectComputational physics
dc.subjectCondensed matter physics
dc.subjectGrain boundary phases
dc.subjectGrain boundary pre-melting
dc.subjectMolecular dynamics
dc.subjectMonte Carlo simulations
dc.subjectTemperature fluctuations
dc.titleInvestigations of interface phenomena via atomistic simulation
dc.typeDissertation
thesis.degree.disciplinePhysics
thesis.degree.grantorGeorge Mason University
thesis.degree.levelPh.D.

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