Our current research interests are in the area of modeling of energy storage systems such as rechargeable batteries, mechanics and electronics of nanomaterials (e.g., graphene) and other two-dimensional materials such as Transition Metal Dichalcogenides (TMDs), modeling of imperfections in crystalline materials, and nanomaterials for biological problems.
Modeling of Energy Storage Systems:
Understanding and computational modeling of different phenomena in Lithium and other ion batteries (Sodium, Calcium): diffusion mechanism, interface fracture, phase-boundary motion, Solid-Electrolyte-Interface (SEI) formation. Two-dimensional nanomaterials such as graphene, Transition Metal Dichalcogenides (TMDs) e.g., MoS2, WS2 for high-capacity energy storage applications. The design of cost-effective, stable, environmentally benign NCA type cathode materials.
Mechanics and Electronics of Nanomaterials:
Fracture, Friction, Thermal characteristics of nanomaterials. Mechanics of heterostructures of nanomaterials. In-phase growth, Valleytronics of TMD materials. Computational design of antioxidant, defect-free TMD materials.
Modeling of Imperfections in Crystalline Materials:
Atomistic and molecular modeling of dislocation. Phase field modeling of grain-boundary, crystal growth problems.
Nanomaterials for Biological Problems:
Nanomaterials (e.g. graphene) for drug-delivery applications. The interface of nanomaterials with biological cells.
Nanoparticles in pathophysiological diseases and characterization:
* To study the effectiveness of graphene nanoparticles in drug delivery in biological system.
* Understanding the physiochemical interactions, bio-distribution of nano particle in biological systems.
* To study the role of graphene nanoparticles tagged with commercially available drugs for treatment of human pathophysiological diseases like arthritis, inflammation etc.
Some selected Past Research
Electrochemistry of Energy Storage Materials
Chemistry of Phase Boundary Motion
Nanotechnology for Medical Science
Electrical properties of crystalline materials
Level-Set based damage model – Thick Level Set (TLS) Method (developed by Dr. Nicolas Moes)
References : Non-local Front Damage Model
Impact Mechanics of Aircraft Fan Blade
References: Extreme Loading of Aircraft Fan Blade
Homogenized characteristics of composites material made of fiber embedded in a matrix
Physics of Thin Film
Physics of Fluid