Snehanshu Pal - Böcker

Molecular dynamics simulation is a significant technique to gain insight into the mechanical behavior of nanostructured (NS) materials and associated underlying deformation mechanisms at the atomic scale. The purpose of this book is to detect and correlate critically current achievements and properly assess the state of the art in the mechanical behavior study of NS material in the perspective of the atomic scale simulation of the deformation process. More precisely, the book aims to provide representative examples of mechanical behavior studies carried out using molecular dynamics simulations, which provide contributory research findings toward progress in the field of NS material technology.

The book focuses on the correlation of mechanical behavior with structural evaluation and the underlying mechanisms through molecular dynamics (MD) techniques using the Large-scale Atomic/Molecular Massively Parallel Simulator (LAMMPS) platform. It provides representative examples of deformation behavior studies carried out using MD simulations through the LAMMPS platform, which provide contributory research findings toward the field of material technology. It also gives a general idea about the architecture of the coding used in LAMMPS and basic information about the syntax.Features:Provides a fundamental understanding of molecular dynamics simulation through LAMMPSIncludes training on how to write LAMMPS input file scriptsDiscusses basics of molecular dynamics and fundamentals of nanoscale deformation behaviorExplores molecular statics and Monte Carlo simulation techniqueReviews key syntax implemented during simulation runs in LAMMPS, along with their functionsThis book is focused on researchers and graduate students in materials science, metallurgy, and mechanical engineering.

The book focuses on the correlation of mechanical behavior with structural evaluation and the underlying mechanisms through molecular dynamics (MD) techniques using the Large-scale Atomic/Molecular Massively Parallel Simulator (LAMMPS) platform. It provides representative examples of deformation behavior studies carried out using MD simulations through the LAMMPS platform, which provide contributory research findings toward the field of material technology. It also gives a general idea about the architecture of the coding used in LAMMPS and basic information about the syntax.Features:Provides a fundamental understanding of molecular dynamics simulation through LAMMPSIncludes training on how to write LAMMPS input file scriptsDiscusses basics of molecular dynamics and fundamentals of nanoscale deformation behaviorExplores molecular statics and Monte Carlo simulation techniqueReviews key syntax implemented during simulation runs in LAMMPS, along with their functionsThis book is focused on researchers and graduate students in materials science, metallurgy, and mechanical engineering.

The content of the book includes processing of and characterization of materials, sustainable energy materials, defense materials, functionally graded materials, and composites which has significant impact on cutting-edge applications.