Computational nanomechanics of materials

Liu, Wing Kam (Department of Mechanical Engineering, Northwestern University); Jun, Sukky; Qian, Dong

Source: Journal of Computational and Theoretical Nanoscience, v 5, n 5, May, 2008, p 970-996

ISSN: 1546-1955

Publisher: American Scientific Publishers

Abstract: We present a review of computational methods and their applications for nanoscale mechanics of materials. Brief introductory overviews of first-principles calculations and molecular dynamics simulations are first provided, followed by various applications such as fracture mechanics and plasticity at the nanoscale. Next, recent advancement of multiscale materials modeling is reviewed, spanning from electronic scale to continuum scale. Among many multiscale methods, two newly proposed methods, the multiscale continuum theory and the virtual atom cluster model, are introduced with more details. Copyright © 2008 American Scientific Publishers. All rights reserved. (202 refs.)

terms:  Dynamics  -  Computational methods  -  Continuum mechanics  -  Electronic scales  -  Fracture fixation  -  Fracture mechanics  -  Mechanics  -  Molecular dynamics  -  Nanostructured materials  -  Nanotechnology  -  Quantum chemistry  -  Speed  -  Strength of materials