The Team
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I am an Assistant Professor at the Department of Mechanical Engineering, National Institute of Technology (NIT) Warangal. My general research interests include the prediction of the behavior of various materials using the combination of density functional theory, molecular dynamics and machine learning techniques. I specifically look at materials that have applications in energy storage (batteries), alloys and Carbon and boron-nitride based nanostructures.
Before joining NIT Warangal, I was a post-doctoral research associate at the Department of Materials Science and Engineering, University of Arizona, Tucson, Arizona, USA. Before that I was Institute of Eminence postdoctoral fellow at the Indian Institute of Science, Bengaluru.
I received my Ph.D. and M.Tech. degrees from the Department of Mechanical Engineering, Indian Institute of Technology, Indore, while I received my B.E. degree in Mechanical Engineering from Ujjain Engineering College, Ujjain, Madhya Pradesh in 2014. During my Ph.D., I received the Shastri Indo-Canadian doctoral fellowship award to extend my research work at Carleton University, Canada in the nanomechanics group. During my Masters, I received the Institute Medal for securing the first rank in Indian Institute of Technology Indore among all post-graduate students.
Dr Vijay Choyal , Assistant Professor
Principal Investigator
About Our Group
Our research group at NITW and IIT Indore , headed by me is at the forefront of cutting-edge materials science, exploring a diverse range of topics that drive innovation and address critical challenges. Our multidisciplinary approach combines computational modeling, experimental techniques, and data-driven insights to unlock new possibilities in materials design and performance.
- Computational Materials Science: We delve into the virtual realm, leveraging quantum mechanical simulations (such as Density Functional Theory, DFT) and molecular dynamics (MD) to understand material behavior at the atomic and electronic levels. By predicting properties and interactions, we accelerate the discovery of novel materials.
- Energy Storage Devices (Batteries): Our team pioneers breakthroughs in energy storage technologies. From lithium-ion batteries to emerging solid-state designs, we investigate electrode materials, electrolytes, and interfaces. Our goal? Enhancing energy density, cycle life, and safety for a sustainable future.
- High-Entropy Alloys (HEAs): HEAs, also known as multi-principal element alloys, captivate us. Their unique combination of elements leads to exceptional mechanical strength, corrosion resistance, and thermal stability. We explore their composition–structure–properties relationship, aiming to tailor HEAs for specific applications.
- Machine Learning Integration: Data-driven approaches are transforming materials research. We harness machine learning algorithms to analyze vast datasets, predict material properties, and optimize compositions. This synergy between AI and materials science accelerates discovery.
- Materials Design: Our group pioneers materials by design. Whether it’s graphene, boron nitride nanotubes (BNNTs), or other multifunctional materials, we seek to engineer properties for targeted applications. From lightweight composites to high-temperature ceramics, our designs push boundaries.
- Multiscale Modeling: Bridging length scales, we combine DFT, MD, finite element methods (FEM), and machine learning. This holistic approach allows us to simulate material behavior across macroscopic structures down to atomic interactions.
- Smart Materials and Hybrid Composites: We explore smart materials that respond to external stimuli (temperature, light, stress) and hybrid composites that merge dissimilar materials. These innovations find applications in sensors, actuators, and adaptive structures.
Join us on this exciting journey as we unravel the mysteries of materials and shape a sustainable, technology-driven future.
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