Current Research Projects:

Understanding the Structure-Property Relations in Cu-Nb Multilayered Nanocomposites using Atomistic Simulations

In the current work, the plan is to utilize molecular dynamic simulations to study the uniaxial (tension and compression) and biaxial (tension-tension, tension-compression, and compression-compression) mechanical response of Cu-Nb multilayered nanocomposites under extremes of strain rate, temperature, and He irradiation. In specific, the aim is to decouple the interface dominated deformation mechanisms from that of layer thickness dominated deformations. 

An integrated computational approach to predict microstructure-property relationships in additive manufactured alloys

This work will provide a generic computation-based path towards the prediction of microstructure property relations in AM metals and alloys that can be extended to other alloy systems. The framework will allow for the correlation of non-equilibrium features and defects that form at the solidification-scale to mechanical behavior. The idea is to relate crucial aspects of solidification (e.g., primary dendritic arm spacing microsegregation, microporosity, intermetallic phases) to mechanical behavior.

Molecular Dynamics study on multilayers_

The Grain Boundary Relaxation (GBR) Approach for Manufacturing High Strength Nanocrystalline Metals (Funding: DOE AMO)

The goal of this project is to (1) design and establish a manufacturing approach that addresses the technological limitations of the manufacturing approach for lightweight metals based on theoretical predictions and (2) evaluate, experimentally validate, and optimize the individual manufacturing steps to mitigate the technological and economic limitations of bulk manufacturing of lightweight metals.

Microstructural-sensitive Fatigue Modeling of Additively Manufactured Polycrystalline Materials

In this work, we use the crystal plasticity finite element approach to analyze the influence of microstructural heterogeneities on the low cycle fatigue of large-grained polycrystals. A set of microstructurally differing statistically equivalent microstructures is subjected to strain-controlled fatigue to analyze transgranular and intergranular crack paths in dependence on microstructural characteristics. 

Computational Modeling of the Stability of Sapphire+Metal Cladding System in Molten Salts (Funding: DOE-ARPA-E)

The goal of this project is to perform DFT and CALPHAD modeling to evaluate the compatibility of sapphire and silica fibers with both chloride and fluoride salts. The key objectives of the research are: (1) evaluation of the stability of unclad sapphire and silica in chloride and fluoride salts between 500°C to 900°C and (2) evaluation of the influence of various metallic claddings e.g, Ni, Au and Mo on the stability of sapphire.