
Molecular Dynamics for Materials Modeling
Description
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Features:
Provides a fundamental understanding of molecular dynamics simulation through LAMMPS
Includes training on how to write LAMMPS input file scripts
Discusses basics of molecular dynamics and fundamentals of nanoscale deformation behavior
Explores molecular statics and Monte Carlo simulation technique
Reviews key syntax implemented during simulation runs in LAMMPS, along with their functions
This book is focused on researchers and graduate students in materials science, metallurgy, and mechanical engineering.
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Persons
Snehanshu Pal leads the Computational Materials Engineering and Process Modeling Research Group at NIT, Rourkela, a group dedicated to realizing the underlying physics behind the mechanical behavior of materials and simulating metallurgical processes (http://www.snehanshuresearchlab.org). He has published more than 100 high-impact research articles in internationally reputed journals. He has supervised three doctoral theses and several master's theses. He is an investigator of numerous sponsored research projects and industrial projects. He has active research collaborations with esteemed universities across the globe (such as the University of Florida, the University of Manitoba, Universite Lille, and the National Academy of Science of Belarus). In addition, Snehanshu Pal is associated with various esteemed technical and scientific societies such as the Indian Institute of Metals and Indian Institute of Engineers.
K. Vijay Reddy is a postdoctoral researcher in KU Leuven, Belgium, working primarily in the eld of computational materials engineering. He did his PhD at the Department of Metallurgical and Materials Engineering, National Institute of Technology (NIT), Rourkela, India, working on nanoscale behavior of materials and design of nano-processing techniques using atomistic simulation techniques. His doctoral research focuses on investigating the material processing of nanoscale metallic systems using molecular dynamics simulation processes. Apart from the doctoral research eld, he has worked on multiple research projects and published more than 30 research articles in high-quality journals over the years. He has demonstrated a strong command of computational skills, has been involved in developing many in-house simulation codes, and has gathered vast knowledge from all of his research experiences. Together with Dr. Snehanshu Pal, he has also been associated with various collaborations with esteemed universities across the globe (such as the University of Florida, University of Manitoba, and University of California Irvine). Apart from atomistic simulations, he has also worked with industrial collaborator Dr. Chandan Halder (manager, Mishra Dhatu Nigam Limited) in the eld of microstructure modeling. Vijay Reddy is an integral part of the Computational Materials Engineering and Process Modeling Research Group that is led by Dr. Snehanshu Pal at the National Institute of Technology, Rourkela, a group dedicated to realizing the underlying physics behind the mechanical behavior and processing of materials and simulating metallurgical processes (http://www.snehanshuresearchlab.org).
Content
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