Showing 2001 · cond-mat.mtrl-sciShow all

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cond-mat.mtrl-sci2001★ 115 cited

A Dynamic Atomistic-Continuum Method for the Simulation of Crystalline Materials

Weinan E, Zhongyi Huang

We present a coupled atomistic-continuum method for the modeling of defects and interface dynamics of crystalline materials. The method uses atomistic models such as molecular dyna…

cond-mat.mtrl-sci2001★ 336 cited

Single- and multi-walled carbon nanotubes viewed as elastic tubes with Young's moduli dependent on layer number

Zhan-chun Tu, Zhong-can Ou-Yang

The complete energy expression of a deformed single-walled carbon nanotube (SWNT) is derived in the continuum limit from the local density approximation model proposed by Lenosky {…

cond-mat.mtrl-sci2001★ 168 cited

Matching Conditions in Atomistic-Continuum Modeling of Materials

Weinan E, Zhongyi Huang

A new class of matching condition between the atomistic and continuum regions is presented for the multi-scale modeling of crystals. They ensure the accurate passage of large scale…

cond-mat.mtrl-sci2001

Soft modes in two- and eight-direction order-disorder ferroelectrics

Zhi-Rong Liu, Wenhui Duan, Bing-Lin Gu +1

The soft modes in the two- and eight-direction order-disorder ferroelectrics are calculated under the mean-field approximation. We find that the conventional method of the pseudosp…

cond-mat.mtrl-sci2001★ 20 cited

Proportion of frozen local polarization in relaxor ferroelectrics

Zhi-Rong Liu, Yong Zhang, Bing-Lin Gu +1

A Landau-type phenomenological cluster theory was presented to model the freezing process of local polarization in relaxors. Based on the theory, the proportion of frozen polarizat…