Purdue University Graduate School

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Multiscale Modeling of the Mechanical Behaviors and Failures of Additive Manufactured Titanium Metal Matrix Composites and Titanium Alloys Based on Microstructure Heterogeneity

posted on 2022-04-14, 18:23 authored by Mohamed G ElkhateebMohamed G Elkhateeb

This study is concerned with the predictive modeling of the machining and the mechanical behaviors of additive manufactured (AMed) Ti6AlV/TiC composites and Ti6Al4V, respectively, using microstructure-based hierarchical multiscale modeling. The predicted results could constitute as a basis for optimizing the parameters of machining and AM of the current materials.

Through hierarchical flow of material behaviors from the atomistic, to the microscopic and the macroscopic scales, multiscale heterogeneous models (MHMs) coupled to the finite element method (FEM) are employed to simulate the conventional and the laser assisted machining (LAM) of Ti6AlV/TiC composites. In the atomistic level, molecular dynamics (MD) simulations are used to determine the traction-separation relationship for the cohesive zone model (CZM) describing the Ti6AlV/TiC interface. Bridging the microstructures across the scales in MHMs is achieved by representing the workpiece by macroscopic model with the microscopic heterogeneous structure including the Ti6Al4V matrix, the TiC particles, and their interfaces represented by the parameterized CZM. As a result, MHMs are capable of revealing the possible reasons of the peculiar high thrust forces behavior during conventional machining of Ti6Al4V/TiC composites, and how laser assisted machining can improve this behavior, which has not been conducted before.

Extending MHMs to predict the mechanical behaviors of AMed Ti6Al4V would require including the heterogeneous microstructure at the grain level, which could be computational expensive. To solve this issue, the extended mechanics of structure genome (XMSG) is introduced as a novel multiscale homogenization approach to predict the mechanical behavior of AMed Ti6Al4V in a computationally efficient manner. This is realized by embedding the effects of microstructure heterogeneity, porosity growth, and crack propagation in the multiscale calculations of the mechanical behavior of the AMed Ti6Al4V using FEM. In addition, the XMSG can predict the asymmetry in the Young’s modulus of the AMed Ti6Al4V under tensile and compression loading as well as the anisotropy in the mechanical behaviors. The applicability of XMSG to fatigue life prediction with valid results is conducted by including the energy dissipations associated with cyclic loading/unloading in the calculations of the cyclic response of the material.


Degree Type

  • Doctor of Philosophy


  • Mechanical Engineering

Campus location

  • West Lafayette

Advisor/Supervisor/Committee Chair

Yung C. Shin

Additional Committee Member 2

Weinong W. Chen

Additional Committee Member 3

Benxin Wu

Additional Committee Member 4

Kejie Zhao