Challenges and Advances in Computational Chemistry and Physics

Trends in Computational Nanomechanics

Transcending Length and Time Scales

Editors: Dumitrica, Trajan (Ed.)

  • Presents recent developments in theoretical and computational methods for studying problems in which multiple length and/or time scales must be simultaneously resolved
  • Includes example applications in nanomechanics
  • The only review volume to summarize important research efforts involving multi-scale methods and the solution of multi-scale problems
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eBook $409.00
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Hardcover $519.00
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  • ISBN 978-1-4020-9784-3
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Softcover $519.00
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  • ISBN 978-94-007-3109-7
  • Free shipping for individuals worldwide
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About this book

Situated at the intersection of Computational Chemistry, Solid State Physics, and Mechanical Engineering, Computational Nanomechanics has emerged as a new interdisciplinary research area that has already played a pivotal role in understanding the complex mechanical response of the nano-scale. Many important nanomechanical problems concern phenomena contained in the microscopic or the continuum phenomenological scale. Thus, they can be simulated with traditional computational approaches, such as molecular dynamics (for the microscopic scale) and finite elements (for the continuum scale). More recently, significant advances in computational methodologies have made it possible to go beyond the distinct approaches mentioned above. By seamlessly linking the previously separated discipline methodologies, multi-scale aspects of the behaviour of nano-materials can now be simulated and studied from both fundamental and engineering-application viewpoints.  

Trends in Computational Nanomechanics: Transcending Length and Time Scales reviews recent results generated via the application of individual or blended microscopic (from ab initio to tight binding to empirical force field) and continuum modeling techniques. It illustrates the significant progresses and challenges in developing multi-scale computational tools that aim to describe the nanomechanical response over multiple time scales and length scales ranging from the atomistic, through the microstructure or transitional, and up to the continuum, as well as the tremendous opportunities in using atomistic-to-continuum nanomechanical strategies in the bio-materials arena.  

Trends in Computational Nanomechanics: Transcending Length and Time Scales is a useful tool of reference for professionals, graduates, and undergraduates interested in Computational Chemistry and Physics, Materials Science, and Engineering.

About the authors

Dr. Traian Dumitrica received a doctorate in physics from Texas A&M University in 2000. Since then he has worked at Rice University, Freie Universitaet Berlin, and Universitaet Kassel. He joined the University of Minnesota faculty in 2005. His research focuses in understanding the mechanical properties of materials using atomistic computational methods. System of interest include carbon nanotubes, silicon nanoparticles, and coherent phonons in semiconductors.

Table of contents (19 chapters)

  • Hybrid Quantum/Classical Modeling of Material Systems: The “Learn on the Fly” Molecular Dynamics Scheme

    Moras, Gianpietro (et al.)

    Pages 1-23

  • Multiscale Molecular Dynamics and the Reverse Mapping Problem

    Ensing, Bernd (et al.)

    Pages 25-59

  • Transition Path Sampling Studies of Solid-Solid Transformations in Nanocrystals under Pressure

    GrÜnwald, Michael (et al.)

    Pages 61-84

  • Nonequilibrium Molecular Dynamics and Multiscale Modeling of Heat Conduction in Solids

    Gill, Simon P.A.

    Pages 85-134

  • A Multiscale Methodology to Approach Nanoscale Thermal Transport

    Puri, Ishwar K. (et al.)

    Pages 135-150

Buy this book

eBook $409.00
price for USA (gross)
  • ISBN 978-1-4020-9785-0
  • Digitally watermarked, DRM-free
  • Included format: EPUB, PDF
  • ebooks can be used on all reading devices
  • Immediate eBook download after purchase
Hardcover $519.00
price for USA
  • ISBN 978-1-4020-9784-3
  • Free shipping for individuals worldwide
  • Usually dispatched within 3 to 5 business days.
Softcover $519.00
price for USA
  • ISBN 978-94-007-3109-7
  • Free shipping for individuals worldwide
  • Usually dispatched within 3 to 5 business days.
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Bibliographic Information

Bibliographic Information
Book Title
Trends in Computational Nanomechanics
Book Subtitle
Transcending Length and Time Scales
Editors
  • Trajan Dumitrica
Series Title
Challenges and Advances in Computational Chemistry and Physics
Series Volume
9
Copyright
2010
Publisher
Springer Netherlands
Copyright Holder
Springer Science+Business Media B.V.
eBook ISBN
978-1-4020-9785-0
DOI
10.1007/978-1-4020-9785-0
Hardcover ISBN
978-1-4020-9784-3
Softcover ISBN
978-94-007-3109-7
Series ISSN
2542-4491
Edition Number
1
Number of Pages
XVIII, 620
Topics