Xiaowei Zeng1
CMES-Computer Modeling in Engineering & Sciences, Vol.74, No.3&4, pp. 183-202, 2011, DOI:10.3970/cmes.2011.074.183
Abstract This paper presents an atomistic field theory and its application in modeling and simulation of nano/micro materials. Atomistic formulation and finite element implementation of the atomistic field theory is briefly introduced. Numerical simulations based on the field theory are performed to investigate the material behaviors of bcc iron at coarse-grained scale and we have obtained the mechanical strength and elastic modulus, which are in good agreement with results by first principles calculations. Also the nanoscale deformation and failure mechanism are revealed in bcc iron nanorods under simple tension. It is interesting to observe that under More >
Login
Register
