University of Notre Dame
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Chemo-Thermo-Mechanical Modeling of Heterogeneous Reactive Materials

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posted on 2023-04-18, 00:00 authored by Cedric W. Williams

Heterogeneous reactive materials are relevant for a variety of scientific and engineering fields. Modeling these complicated systems often requires highly advanced mathematical models, cutting edge numerical algorithms and implementations, and intensive calibration thereof. Much effort has been made in accomplishing these tasks. This has led to a great deal of progress in the modeling and simulation of these material systems which, in turn, has led to vast improvements in the physical understanding of the various mechanisms at play. However, these efforts are often limited by issues with thermodynamic consistency, the inherent nonlinearity of the relevant fields of interest (chemical species, temperature, deformation, etc.), and complex physical coupling between said fields.

To this end, this dissertation develops a chemo-thermal-mechanical model that considers phase transition phenomena, heat generation due to chemical reactions and mechanical deformations, and finite strain elasto-plastic behavior. The dissertation also develops numerical algorithms for the computational implementation of the model which are developed as a state-of-the-art finite element solver. The model is calibrated using available experimental data, then applied to the β→δ phase transition of single crystal HMX as well as to HMX based PBXs.

History

Date Modified

2023-05-17

Defense Date

2023-03-16

CIP Code

  • 14.1901

Research Director(s)

Karel Matouš

Committee Members

Joseph Powers Martina Bukac Rosenbaum Matthew Price

Degree

  • Doctor of Philosophy

Degree Level

  • Doctoral Dissertation

Alternate Identifier

1379209884

OCLC Number

1379209884

Program Name

  • Aerospace and Mechanical Engineering

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