At present, I am a postdoctoral researcher(2024-present) at the University of Michigan, Ann Arbor. Here I am working on two projects.

• In the first project, the primary objective is to study the screw dislocation mobility in Refractory Complex Concentrated Alloys(RCCAs) and the effect of different alloying elements on the strengthening mechanism of such alloys. Once the strengthening mechanism is understood, a surrogate model will be developed to search for different alloy compositions for better strength and dislocation mobility-induced ductility at room temperature. At present, the focus is on elements in group 4(Ti), 5(Nb, Ta), and 6(Mo).

• In another project, the objective is to explore the effect of different alloying elements on the nucleation events(dislocation, twin) near a crack tip in the Refractory Complex Concentrated Alloys(RCCAs). The objective is to enhance the room temperature ductility in RCCAs by exploring the means by which different plastic deformation mechanisms can be activated at the crack tip. Since studying the crack tip in a proper length scale, yet at atomic resolution, is important, we are using a coupled concurrent model by coupling MD(LAMMPS) with CPFE(MOOSE), which I developed during my PhD, to achieve our objective.

During my postdoc(2021-2024), at Los Alamos National Laboratory(LANL), I developed a dislocation transport-based crystal plasticity model that incorporates the dislocation transport within the grain and across the grain boundary. The model is useful to study the interaction of dislocations with grain boundary in polycrystalline materials and it’s macroscopic implication in the deformation behavior of the material. I have implemented the model into the open-source code MOOSE. The process involves developing crystal plasticity material class, different volumetric kernels, boundary kernels, interface kernels and auxkernels. Also some base-classes for array variables. The code is open-sourced and available in the LANL Github page with name DiscofluxM.

During my Ph.D., at the department of Mechanical Engineering of Johns Hopkins University, I have worked extensively in the realm of atomistic modeling of metallic materials using Accelerated Molecular Dynamics(Hyperdynamics). I have developed a concurrent multiscale model by coupling Molecular Dynamics(MD) with density-based Crystal Plasticity(CPFE) to extend the spatial scale of the atomistic model. For MD model, I have used LAMMPS and also incorporated new features into the LAMMPS for the time acceleration(Hyperdynamics) of the MD model.

Tags:    Crystal Plasticity FE, MOOSE,  Accelerated Molecular Dynamics(MD),  LAMMPS,   Alloy Design, High Entropy Alloys(HEAs), Refractory Complex Concentrated Alloys(RCCAs), Additive Manufacturing for Metals and Alloys,  Defect  Interaction,  Phase Field,   Meshless RKPM,   XFEM.

My research EXPERIENCES include:

• Deformation Mechanisms of materials(metallic): Characterization and quantification of different deformation mechanisms of structural materials at the atomic scale using classical MD and time-accelerated MD. I have worked on both fcc and bcc metals and alloys.
• Atomistic-Continuum coupled multiscale model: I have developed multiple concurrent multiscale models by coupling Finite Element(CPFE, thermo-elasticity) and Molecular Dynamics(MD). These models are further used to study atomic-scale deformation mechanisms as well as to extract defect evolution laws.
• Time-accelerated Molecular Dynamics: I have extensive working experience on long-time scale MD by leveraging the concept of time-accelerated MD (Hyperdynamics). I have implemented this method within LAMMPS and used it to study the strain rate effect in defect nucleation and evolution in both fcc and bcc metals and alloys.

**More in “My Research” page.