Overview
- Introduces forcefields/interatomic potentials used in the atomistic-scale simulations and molecular dynamics
- Covers the mechanism, recent development, methods, and case studies of different interatomic potentials
- Introduces various applications of atomistic-scale simulations
Part of the book series: Lecture Notes in Applied and Computational Mechanics (LNACM, volume 99)
Access this book
Tax calculation will be finalised at checkout
Other ways to access
Table of contents (17 chapters)
Keywords
About this book
This book describes the forcefields/interatomic potentials that are used in the atomistic-scale and molecular dynamics simulations. It covers mechanisms, salient features, formulations, important aspects and case studies of various forcefields utilized for characterizing various materials (such as nuclear materials and nanomaterials) and applications. This book gives many help to students and researchers who are studying the forcefield potentials and introduces various applications of atomistic-scale simulations to professors who are researching molecular dynamics.
Editors and Affiliations
About the editors
Prof. Dr. Shigenobu Ogata is working as Full Professor in the Department of Mechanical Science and Bioengineering in Osaka University. He is also Professor of the Elements Strategy Initiative for Structural Materials, Kyoto University. He received Ph.D. degree in Mechanical Engineering from Osaka University in 1998. He is an editor of Progress in Materials Science (Elsevier). He was Visiting Research Scientist in the Department of Nuclear Science and Engineering at MIT 2001–2002 and Research Affiliate at MIT 2003–now. He and his group aim to develop reliable theoretical models for describing various nonlinear multiscale and/or multiphysics phenomena that appear in solid materials and then to design materials with novel functions and a deformation process controlled at an atomic level in a predictive manner. Some mature and widely accepted models involve amorphous materials, deformation and strength of materials (such as describing the ideal shear strain of different materials and named the maximum shear strain shearability; revealing the formation mechanism of the shear band in metallic glass and amorphous metals), dislocation modelling, diffusion modelling, constitutive model, fundamental algorithms, structural materials and nanostructure. He has published over 170 peer-reviewed journal articles and received 6800+ citations. He also has published four books. His awards include Japanese Society of Mechanical Engineers (JSME) Young Engineer Award (2004), Japanese Society of Materials Science (JSMS) Award for Promising Researcher (2005), JSME Medal for Outstanding Paper (2007), The Japan Institute of Metals Best Paper Awards (Materials Physics 2010, Engineering Materials 2014, Mechanics 2017, Materials Physics 2021), Lee Hsun Lecture Award of Institute of Metal Research, China (2014), JSME Computational Mechanics Division, Computational Mechanics Achievement Award (2015), and JSMS Award for Academic Contribution (2016).
Bibliographic Information
Book Title: Forcefields for Atomistic-Scale Simulations: Materials and Applications
Editors: Akarsh Verma, Sanjay Mavinkere Rangappa, Shigenobu Ogata, Suchart Siengchin
Series Title: Lecture Notes in Applied and Computational Mechanics
DOI: https://doi.org/10.1007/978-981-19-3092-8
Publisher: Springer Singapore
eBook Packages: Chemistry and Materials Science, Chemistry and Material Science (R0)
Copyright Information: The Editor(s) (if applicable) and The Author(s), under exclusive license to Springer Nature Singapore Pte Ltd. 2022
Hardcover ISBN: 978-981-19-3091-1Published: 20 August 2022
Softcover ISBN: 978-981-19-3094-2Published: 21 August 2023
eBook ISBN: 978-981-19-3092-8Published: 19 August 2022
Series ISSN: 1613-7736
Series E-ISSN: 1860-0816
Edition Number: 1
Number of Pages: VI, 398
Number of Illustrations: 29 b/w illustrations, 86 illustrations in colour
Topics: Materials Science, general, Theoretical and Computational Chemistry, Nanotechnology, Atomic/Molecular Structure and Spectra, Atomic, Molecular, Optical and Plasma Physics