Theses and Dissertations


Robert Allen

Issuing Body

Mississippi State University


El Kadiri, Haitham

Committee Member

Toth, Laszlo S.

Committee Member

Oppedal, Andrew

Committee Member

Luke, Ed

Committee Member

Lim, Hyeona

Date of Degree


Document Type

Dissertation - Open Access


Computational Engineering

Degree Name

Doctor of Philosophy (Ph.D)


James Worth Bagley College of Engineering


Computational Engineering Program


Methods designed for incorporation into multiscale modeling polycrystals are presented in this work in two tasks. This work contains mesoscale methods for capturing the effects of both the interactions of slip dislocations encountering twin grain boundaries and the simultaneous growth of multiple twin grain volume fractions on mechanical hardening and texture evolution. These are implemented in a crystal plasticity framework using the Los Alamos visco-plastic self consistent code, VPSC-7. Presented here, the effects of simultaneous growth in multiple twin variants on textural evolution is tracked using a Kalidindi-type twin volume transfer scheme. In Task 1, the implementation of this scheme in order to simulate the texture of Twinning Induced Plasticity steels (TWIP) subjected to Equal Channel Angular Pressing (ECAP) are summarized. In Task 2, the hardening effects of two types of interactions between slip dislocations and encountered twin grain boundaries, namely dislocation transmutation and dissociation, are captured by way of modifying the dislocation density based hardening model of [14]. Interactions of the first type are presented in a constitutive relation calculating the amount of dislocation density apportioned to a given slip system contained within the encountered twin volume fraction from each interacting slip system in the parent volume fraction. The amount transmuted from each interacting slip system described using the Correspondence Method, an onto mapping of slip systems in a parent grain to slip systems in considered twin grains. Interactions of the second type are then introduced into this constitutive relation as a disassociation parameter, the value of which is established by observations gleaned from the results of the molecular dynamics simulations of [11] and [36]. These methods are implanted to simulate the anisotropic hardening behavior of HCP magnesium under multiple load paths.