© 2010

Trends in Computational Nanomechanics

Transcending Length and Time Scales

  • Traian Dumitrica

Part of the Challenges and Advances in Computational Chemistry and Physics book series (COCH, volume 9)

Table of contents

  1. Front Matter
    Pages i-xviii
  2. Gianpietro Moras, Rathin Choudhury, James R. Kermode, Gabor CsÁnyi, Michael C. Payne, Alessandro De Vita
    Pages 1-23
  3. Bernd Ensing, Steven O. Nielsen
    Pages 25-59
  4. Ishwar K. Puri, Sohrail Murad
    Pages 135-150
  5. Ricardo W. Nunes, JoÃo F. Justo
    Pages 173-191
  6. J. Xiao, W. Zhou, Y. Huang, J.M. Zuo, K.C. Hwang
    Pages 323-333
  7. Yuzhou Sun, K.M. Liew
    Pages 367-388
  8. Seyoung Im, Sungjin Kwon, Jong Youn Park
    Pages 389-419
  9. Wei Quan Tian, Lei Vincent Liu, Ya Kun Chen, Yan Alexander Wang
    Pages 421-471
  10. Sinan Keten, Jeremie Bertaud, Dipanjan Sen, Zhiping Xu, Theodor Ackbarow, Markus J. Buehler
    Pages 473-533
  11. E.A. Sander, A.M. Stein, M.J. Swickrath, V.H. Barocas
    Pages 557-602

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.


Advanced Quantum Chemistry Approaches Multiscale Methods Nanomechanics Nanostructures Nanotube Time and Length Scales carbon nanotubes nanotechnology

Editors and affiliations

  • Traian Dumitrica
    • 1
  1. 1.Dept. Mechanical EngineeringUniversity of MinnesotaMinneapolisU.S.A.

About the editors

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.

Bibliographic information

Industry Sectors
Oil, Gas & Geosciences