Systematic comparison between computer simulation results and those predicted by Scheutjens-Fleer (SF) self-consistent-field theory is presented for the adsorption of diblock copolymers from a non-selective solvent on...Systematic comparison between computer simulation results and those predicted by Scheutjens-Fleer (SF) self-consistent-field theory is presented for the adsorption of diblock copolymers from a non-selective solvent on attractive surface. It is shown that although SF is a mean-field theory, it can qualitatively describe the adsorption phenomena of diblock copolymers. However, systematic discrepancy between the theory and simulation still exists. The approximations inherited in the mean-field theory such as random mixing inside a layer and the allowance of direct back folding may be responsible to those deviations.展开更多
An aggregate generation and packing algorithm based on Monte-Carlo method is developed to express the aggregate random distribution in cement concrete. A mesoscale model is proposed on the basis of the algorithm. In t...An aggregate generation and packing algorithm based on Monte-Carlo method is developed to express the aggregate random distribution in cement concrete. A mesoscale model is proposed on the basis of the algorithm. In this model, the concrete con- sists of three parts, namely coarse aggregate, cement matrix and the interracial transition zone （ITZ） between them. To verify the proposed model, a three-point bending beam test was performed and a series of two-dimensional mesoscale concrete mod- els were generated for crack behavior investigation. The results indicate that the numerical model proposed in this study is helpful in modeling crack behavior of concrete, and that treating concrete as heterogeneous material is very important in frac- ture modeling.展开更多
基金Supported by the National Natural Science Foundation of China(No. 20025618)the Doctoral Research Foundation by Ministry of Education of China (No.1999025103) and the Dawn Project of Education Committee of Shanghai.
文摘Systematic comparison between computer simulation results and those predicted by Scheutjens-Fleer (SF) self-consistent-field theory is presented for the adsorption of diblock copolymers from a non-selective solvent on attractive surface. It is shown that although SF is a mean-field theory, it can qualitatively describe the adsorption phenomena of diblock copolymers. However, systematic discrepancy between the theory and simulation still exists. The approximations inherited in the mean-field theory such as random mixing inside a layer and the allowance of direct back folding may be responsible to those deviations.
基金supported by the Specialized Research Fund for the Doctoral Program (SRFDP) of Higher Education of China (Grant No.20100092110049)Jiangsu Provincial Science Foundation Program of China (Grant No. BK2009259)+1 种基金the National Basic Research Program of China ("973" Project) (Grant No. 2009CB623202)the National Natural Science Foundation of China (Grant No. 11072060)
文摘An aggregate generation and packing algorithm based on Monte-Carlo method is developed to express the aggregate random distribution in cement concrete. A mesoscale model is proposed on the basis of the algorithm. In this model, the concrete con- sists of three parts, namely coarse aggregate, cement matrix and the interracial transition zone （ITZ） between them. To verify the proposed model, a three-point bending beam test was performed and a series of two-dimensional mesoscale concrete mod- els were generated for crack behavior investigation. The results indicate that the numerical model proposed in this study is helpful in modeling crack behavior of concrete, and that treating concrete as heterogeneous material is very important in frac- ture modeling.
