A5076388568- Energetic Materials and Combustion
- High-pressure geophysics and materials
- Thermal and Kinetic Analysis
- Advanced Chemical Physics Studies
- Chemical Thermodynamics and Molecular Structure
- High-Velocity Impact and Material Behavior
- Mineral Processing and Grinding
- Thermodynamic and Structural Properties of Metals and Alloys
- Minerals Flotation and Separation Techniques
- Catalytic Processes in Materials Science
- Oil and Gas Production Techniques
- Laser-Plasma Interactions and Diagnostics
- Magnetic confinement fusion research
- Crystallization and Solubility Studies
- Radioactive element chemistry and processing
- Fusion materials and technologies
- Combustion and Detonation Processes
- Extraction and Separation Processes
- Machine Learning in Materials Science
- thermodynamics and calorimetric analyses
- Microstructure and mechanical properties
- Nuclear Materials and Properties
Bhabha Atomic Research Centre
2010-2023
Indian Institute of Management Visakhapatnam
2011
A multi-scale model has been developed to generate and validate spallation (dynamic fracture) parameters for metallic single crystals. The uses Molecular Dynamic (MD) simulations at the atomic scales obtain a dynamic fracture called Nucleation Growth (NAG) model. obtained from MD are then used describe nucleation growth of voids in macroscopic hydrodynamic material impact spallation. spall strength thickness have earlier computed compared with experimental results crystal copper (Cu),...
We present results of theoretical calculation the equation state Al covering several orders magnitude density and temperature. The data is generated using a QEOS model. have been used to calculate Us - Up P V hugoniots. calculated hugoniots show good agreement with experimental cold curve by model has compared FP-LAPW for compressed states found. also AIMD simulation expanded not good. These comparisons confirm that are accurate less low temperature Al.
The parameter sets of the ReaxFF potential distributed with open source, Large-scale Atomic/Molecular Massively Parallel Simulator (LAMMPS) code, is validated for simulating crystal RDX. These parameters are used to model RDX and obtain its unit cell size bulk modulus. It seen that supplied LAMMPS (5-April, 2011 release) do not reproduce modulus as reported by experiments other simulations using potential. simulation method relevant parts code implementing has been earlier Cu. We conclude...
This paper reports a computational optimization study for an inverse z-pinch magnetized target fusion system (MTF). has been carried out by varying various parameters such as the magnetizing current, initial liner radius and thickness, length, etc. One-dimensional (1D) magneto-hydrodynamic (MHD) calculations are used this purpose. Capacitor bank held constant, is also inner conductor radius. The Kadomtsev stability parameter Q0 kept constant at 0.9 maximum plasma β 0.4. yielded several...
Molecular dynamics (MD) simulations of RDX is carried out using the ReaxFF force field supplied with Large‐scale Atomic/Molecular Massively Parallel Simulator (LAMMPS). Validation to model by extracting (i) crystal unit cell parameters, (ii) bulk modulus and (iii) thermal expansion coefficient comparing reported values from both experiments simulations.
Distribution ratio models play an important role in simulation of any mass transfer operation. Mass balance being same on a stage, concentration solutes calculated depends the distribution values. Specific to nuclear fuel reprocessing, available for calculation ratios are mostly empirical. Robust based thermodynamics phase equilibrium not at present. A recursive thermodynamic model has been developed U + HNO3 Pu system contacted with tri-n-butyl phosphate using predictive activity...