Our group is primarily involved in the mathematical and computational modeling of mechanical properties of solids. These studies involve nanostructured and bulk crystalline metals, beside the glassy metallic alloys. The scope of modeling encompasses various scales of length and time. The computational strategies include molecular dynamics, stochastic modeling, phase filed simulations, cellular automata, and various aspects of material informatics. Currently, the major themes of investigations are:
1. Modeling and computer simulations of the structure and behavior of crystal dislocations
2. Materials informatics
3. Atomistic simulations of deformation of metallic glasses
4. Evolution of dislocation microstructure in deforming nanocrystalline metals
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Limitations of meta-atom potential for analyzing dislocation core structure in TWIP steel Pulagam S.S.R., Dutta A. By Mechanics of Materials 178 104563- (2023)
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Vacancy-mediated diffusion of atoms at Ge/Si interfaces: An atomistic perspective Kumari S., Dutta A. By Materialia 11 100666- (2020)
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Assessment of meta-atom scheme for nucleation of dislocation loops in TWIP steel Kumari S., Dutta A. By Computational Materials Science 209 - (2022)
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Peierls Nabarro modeling of twinning dislocations in fcc metals Pulagam S.S.R., Dutta A. By Computational Materials Science 206 - (2022)
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A novel method of determining interatomic potential for Al and Al-Li alloys and studying strength of Al-Al3Li interphase using evolutionary algorithms Roy S., Dutta A. , Chakraborti N. By Comp. Mat. Sci. 190 110258- (2021)
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Atomistic design of nanocrystalline samples: A Bayesian approach Mondal S., Dutta A. By Materials Letters 300 - (2021)
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Core-structure and lattice friction of twinning dislocation in platinum Pulagam S. R., Kumari S. , Dutta A. By Materials Today: Proceedings 44 2968-2971 (2021)
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Nucleation of twinning dislocation loops in fcc metals S., Dutta A. By Mech. Mater. 160 103934- (2021)
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Atomistic simulation and evolutionary optimization of Fe-Cr nanoparticles Singhal S., Sijaria A. , Pai V. , Dutta A. , Chakraborti N. By Mater. Manuf. Process. 35 652-657 (2020)
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Design of high-manganese nanostructured austenitic steel with particle swarm optimization Dash S., Dutta A. By Mater. Manuf. Process. 35 635-642 (2020)
Principal Investigator
- Development of AI based Optimization Model to Find the Targets for Treatment of Low Si High P Hot Metal in BOF Process
Ph. D. Students
Debopriyo Banerjee
Area of Research: Computational Materials Science
M.Maheshwari
Area of Research: Computational Materials Science
Raashid Firoz
Area of Research: Mechanical behavior of high temperature alloy
Ranesh Kumar Saha
Area of Research: Computational Materials Engineering
Sankalp Biswal
Area of Research: Fatigue crack propagation in high temperature materials
Sri Sadgun Reddy Pulagam
Area of Research: Computational Material Science
Sweta Kumari
Area of Research: Computational Material Science