2013 review

Challenges to marrying atomic and continuum modeling of materials

[Review of ]. CURRENT OPINION IN SOLID STATE & MATERIALS SCIENCE, 17(6), 257–262.

By: D. Brenner n

co-author countries: United States of America πŸ‡ΊπŸ‡Έ
author keywords: Multiscale modeling; Molecular modeling; Finite element analysis
Source: Web Of Science
Added: August 6, 2018

Abstract As the engineering and characterization of bulk materials has progressed down to the nanometer scale, atomic-level modeling has moved from the realm of chemistry and physics to become an important tool for mechanical and materials engineers. However, connecting even the largest atomic simulations currently carried out in three dimensions to full engineering scales is a major challenge. The purpose of this brief article is to comment on these challenges and on the future of approaches that marry atomic and continuum modeling with the goal of increasing the spatial domain accessible to molecular modeling of the mechanical properties of materials.