PhD Proposal by Joshua Gomberg

Event Details
  • Date/Time:
    • Tuesday December 6, 2016
      9:30 am - 11:30 am
  • Location: Love 295
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Summaries

Summary Sentence: Process-Structure-Property Linkages in Molecular Mechanics Simulations of Grain Boundaries

Full Summary: No summary paragraph submitted.

THE SCHOOL OF MATERIALS SCIENCE AND ENGINEERING

 

GEORGIA INSTITUTE OF TECHNOLOGY

 

Under the provisions of the regulations for the degree

DOCTOR OF PHILOSOPHY

on Tuesday, December 6, 2016

9:30 AM
in Love 295

 

will be held the

 

DISSERTATION PROPOSAL DEFENSE

for

 

Joshua Gomberg

 

"Process-Structure-Property Linkages in Molecular Mechanics Simulations of Grain Boundaries"

 

Committee Members:

 

Prof. Surya R. Kalidindi, Advisor, ME

Prof. Mo Li, MSE

Prof. David McDowell, MSE

Prof. Hamid Garmestani, MSE

Prof. Ben Haaland, ISYE

 

Abstract:

For a variety of materials, atomic-scale modeling techniques are commonly employed as a means of investigating fundamental properties, including both structural and chemical responses. While force-field based calculations are significantly less computationally expensive than their quantum-mechanical counterparts, the datasets often investigated are large in size (103 – 109 atoms) and high-dimensional, and thus cumbersome for use in multi-scale models. The development of quantitative “process-structure-property” (PSP) linkages for atomistic simulations presents a powerful route to convert atomistic simulation data into actionable knowledge. Here, a framework is presented for quantifying structure from these simulations in full- and reduced-dimensional form, and a series of protocols are developed for establishing regression models for process-structure and structure-property linkages.

 

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Phd proposal
Status
  • Created By: Tatianna Richardson
  • Workflow Status: Published
  • Created On: Dec 1, 2016 - 9:33am
  • Last Updated: Dec 1, 2016 - 9:33am