Molecular Dynamics Simulation

Fundamentals and Applications

Häftad, Engelska, 2022

1 922 kr

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Beskrivning

Molecular 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.

Provides a comprehensive overview of the underlying theories of molecular dynamics (MD) simulation
Presents application-based examples pertaining to a broad range of mechanical, thermal, and mass transport problems
Explores innovative modeling techniques for simulating typical nanomaterials and nanostructures and for characterizing crystalline, amorphous, and liquid systems

Produktinformation

Utgivningsdatum:2022-02-14
Mått:152 x 229 x 37 mm
Vikt:450 g
Format:Häftad
Språk:Engelska
Antal sidor:374
Förlag:Elsevier Science
ISBN:9780128164198

Utforska kategorier

Maskinteknik och material inom Naturvetenskap och teknik

Mer om författaren

Kun 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.

Innehållsförteckning

1. Fundamentals of classical molecular dynamics (MD) simulation2. Potential energy functions3. Control techniques of MD simulation4. Advanced ab initio MD and coarse-grained MD5. Application of MD simulation in mechanical problems6. Application of MD simulation in thermal problems7. Application of MD simulation in mass transport problems8. Application of MD simulation in other problems