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  1. Vacancy Clustering Phenomena in Silcon Carbide Reactor Components: A Multiple Time-Scale Atomistic Problem

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    Description: The goal of this dissertation was to elucidate the coalescence of vacancies in the cubic polytype of silicon carbide in a nuclear reactor relevant system. Large-scale empirical potential atomistic simulations were employed and the exploration of long time-scale behavior was performed through a new application of the parallel replica dynamics...
    Keyword: damage, SiC, silicon carbide, molecular dynamics, cascade, and radiation
    Subject: Mechanical Engineering
    Creator: David Edward Farrell
    Owner: Scholarly Digital Publishing
    Date Uploaded: 09/14/2018
    Date Modified: 09/14/2018
    Date Created: 2008-10-06
    Rights: In Copyright
    Resource Type: Dissertation
  2. Theory and Simulation of Polymer and Polyelectrolyte Self-Assembly

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    Description: Polymers and polyelectrolytes are ideal tools for the development of novel self-assembled materials. The ability to control the length-scales of self-assembly, and thus the properties, for soft materials lies in the understanding and subsequent manipulation of competing intermolecular interactions, such as hydrophobicity, hydrogen bonding, van der Waals, electrostatics. In this...
    Keyword: charged systems, molecular dynamics, polymer gel, Monte Carlo, and Random Phase Approximation
    Subject: Materials Science and Engineering
    Creator: Sharon Loverde
    Owner: Scholarly Digital Publishing
    Date Uploaded: 07/25/2018
    Date Modified: 07/25/2018
    Date Created: 2007-05-14
    Rights: In Copyright
    Resource Type: Dissertation
  3. Self assembly and many-body effects at surfaces of biomedical relevance

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    Description: I present research in systems of biomedical relevance consisting of agents near or com- prising surfaces using computational approaches. The research topics include formation of bacterial biofilms, behavior of charged species near stacked, like-charged lamellae, and the the conformational behavior of lamellae with strong self-attraction. In chapter 2, I present...
    Keyword: computer simulations, self assembly, molecular dynamics, soft matter, coarse graining , and biophysics
    Subject: Material Science and Engineering
    Creator: Bernard McAlpine Beckerman
    Owner: Scholarly Digital Publishing
    Date Uploaded: 02/13/2018
    Date Modified: 02/13/2018
    Date Created: 2016-01-01
    Rights: In Copyright
    Resource Type: Dissertation