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OverviewMolecular Dynamic Simulation: Fundamentals and Applications explains the basic principles of MD simulation and explores its recent developments and roles in advanced modeling approaches. The implementation of MD simulation and its application to various aspects of materials science and engineering including mechanical, thermal, mass transportation, and physical/chemical reaction problems are illustrated. Innovative modeling techniques that apply MD to explore the mechanics of typical nanomaterials and nanostructures and to characterize crystalline, amorphous, and liquid systems are also presented. The rich research experience of the authors in MD simulation will ensure that the readers are provided with both an in-depth understanding of MD simulation and clear technical guidance. Full Product DetailsAuthor: Kun Zhou (Associate Professor, School of Mechanical and Aerospace Engineering, Nanyang Technological University (NTU), Singapore) , Bo Liu (Associate Professor, School of Mechanical and Vehicle Engineering, Hunan University, China)Publisher: Elsevier Science Publishing Co Inc Imprint: Elsevier Science Publishing Co Inc Weight: 0.450kg ISBN: 9780128164198ISBN 10: 0128164190 Pages: 374 Publication Date: 14 February 2022 Audience: Professional and scholarly , Professional & Vocational Format: Paperback Publisher's Status: Active Availability: Manufactured on demand  We will order this item for you from a manufactured on demand supplier. Table of Contents1. Fundamentals of classical molecular dynamics (MD) simulation 2. Potential energy functions 3. Control techniques of MD simulation 4. Advanced ab initio MD and coarse-grained MD 5. Application of MD simulation in mechanical problems 6. Application of MD simulation in thermal problems 7. Application of MD simulation in mass transport problems 8. Application of MD simulation in other problemsReviewsAuthor InformationKun Zhou is an Associate Professor at the School of Mechanical and Aerospace Engineering, Nanyang Technological University (NTU), Singapore. His research interests focus on mechanics of materials, modelling and simulation and additive manufacturing and he has published one book and over 380 journal articles. He has founded the journal Smart Manufacturing and serves as its Editor-in-Chief. He has also co-founded the journal of Micromechanics and molecular physics and serves as its Co Editor-in-Chief. Bo Liu is an Associate Professor at the School of Mechanical and Vehicle Engineering, Hunan University, China. He obtained his Ph.D. from Nanyang Technological University in 2015 and subsequently worked there as a postdoctoral fellow in Nanyang Environment and Water Research Institute for two years. He has rich experience in MD simulation and has published over 40 journal articles in the field of atomistic modeling. Tab Content 6Author Website:Countries AvailableAll regions |
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