In the article the Grand Canonical Monte Carlo (GCMC), molecular dynamics(MD), and kinetic Monte Carlo (KMC) simulations with particular focus on ascertaining the loading dependence of benzene diffusion in the z...In the article the Grand Canonical Monte Carlo (GCMC), molecular dynamics(MD), and kinetic Monte Carlo (KMC) simulations with particular focus on ascertaining the loading dependence of benzene diffusion in the zeolite were performed. First, a realistic representation of the structure of the sorbate-sorbent system was obtained based on GCMC simulation. The simulation clearly shows the characteristics of the adsorption sites of the benzene-NaY system, from which two kinds of preferably adsorbing sites for benzene molecules, called SⅡ and W sites, are identified. The structure thus obtained was then used as a basis for KMC and MD simulations. A compara-tive study by introducing and comparing two different mechanisms underlying jump diffusion in the zeolite of in-terest shows that the.MS diffusivity values predicted by the KMC and MD methods are fairly close to each other,leading to the conclusion that for benzene diffusion in NaY, the SⅡ→W→SⅡ jumps of benzene molecules are dominated,while the W→Wjumps do not exist in the process. These findings provide further support to our previous conclusion about the absence of the W→W jumps in the process of benzene diffusion in NaY. Finally, to relations, for predicting the self-and MS difthsivities were derived and found to be in fair agreement with the KMC and MD simulations.展开更多
We investigate the in-medium interparticle potential of hot gauge system with bound states by employing the QED and scalar QED coupling. At the finite temperature an oscillatory behavior of the potential has been foun...We investigate the in-medium interparticle potential of hot gauge system with bound states by employing the QED and scalar QED coupling. At the finite temperature an oscillatory behavior of the potential has been found as well as its variation in terms of different free parameters. We expect the competition among the parameters will lead to an appropriate interparticle potential, which could be extended to discuss the fluid properties of QGP with scalar bound states.展开更多
Biological macromolecules, such as proteins and polysaccharides, are widely used in food systems because their interactions impart a desirable texture to food products. Plant proteins interact with food components via...Biological macromolecules, such as proteins and polysaccharides, are widely used in food systems because their interactions impart a desirable texture to food products. Plant proteins interact with food components via protein-protein and protein-polysaccharide associations, and the formation of a matrix, which can entrap other food components such as water, lipids and flavors. These networks provide structural integrity to food products and can serve as important functional ingredients in processed foods. Intermolecular interactions of typical polysaccharides result either in simple associations or in the form of a double or triple helix. The linear double helical segments may then interact to form a super junction and a three-dimensional gel network. The formation of these structural networks takes place during processing and involves the transformation from a liquid or viscous sol into a solid material with elastic properties. Interests in the behavior of mixed gels center on the prospects of enhanced flexibility in their mechanical and structural properties compared to those of pure gels. Findings on molecular interactions between plant proteins (e.g., soy, canola and pea proteins) and polysaccharides (e.g., guar gum, carrageenan, and pectin) allow for the modification of physical and textural characteristics of mixed biopolymers to meet desired functional property.展开更多
This paper focuses on the 1/2 sub-harmonic resonance of an aircraft’s rotor system under hovering flight that can be modeled as a maneuver load G in the equations of motion.The effect on the rotor system is analyzed ...This paper focuses on the 1/2 sub-harmonic resonance of an aircraft’s rotor system under hovering flight that can be modeled as a maneuver load G in the equations of motion.The effect on the rotor system is analyzed by using theoretical methods.It is shown that the sub-harmonic resonance may occur due to maneuvering flight conditions.The larger the eccentricity E and the maneuver load G,the greater the sub-harmonic resonance.The effects of nonlinear stiffness,damping of the system,maneuver load,and eccentricity on the sub-harmonic resonance region in parameter planes are also investigated.Bifurcation diagrams of the analytical solutions are in good agreement with that of the numerical simulation solutions.These results will contribute to the understanding of the nonlinear dynamic behaviors of maneuvering rotor systems.展开更多
"Active" components can be introduced into a passive system to completely change its physical behavior from its typical behavior at thermodynamic equilibrium. To reveal the interaction mechanisms between ind..."Active" components can be introduced into a passive system to completely change its physical behavior from its typical behavior at thermodynamic equilibrium. To reveal the interaction mechanisms between individuals, researchers have designed unique self-propelled particles to mimic the collective behavior of biological systems. This review focuses on recent theoretical and experimental advances in the study of self-propelled particle systems and their individual and collective behaviors. The potential applications of active particles in chemical, biological and environmental sensing and single particle imaging are discussed.展开更多
基金Supported by the StaLe Key Development Program for Basic Research of China (2004CB719505), and the National Natural Science Foundation of China (20625621).
文摘In the article the Grand Canonical Monte Carlo (GCMC), molecular dynamics(MD), and kinetic Monte Carlo (KMC) simulations with particular focus on ascertaining the loading dependence of benzene diffusion in the zeolite were performed. First, a realistic representation of the structure of the sorbate-sorbent system was obtained based on GCMC simulation. The simulation clearly shows the characteristics of the adsorption sites of the benzene-NaY system, from which two kinds of preferably adsorbing sites for benzene molecules, called SⅡ and W sites, are identified. The structure thus obtained was then used as a basis for KMC and MD simulations. A compara-tive study by introducing and comparing two different mechanisms underlying jump diffusion in the zeolite of in-terest shows that the.MS diffusivity values predicted by the KMC and MD methods are fairly close to each other,leading to the conclusion that for benzene diffusion in NaY, the SⅡ→W→SⅡ jumps of benzene molecules are dominated,while the W→Wjumps do not exist in the process. These findings provide further support to our previous conclusion about the absence of the W→W jumps in the process of benzene diffusion in NaY. Finally, to relations, for predicting the self-and MS difthsivities were derived and found to be in fair agreement with the KMC and MD simulations.
基金Supported by National Natural Science Foundation of China under Grant Nos. 10747135, 10675052 and 10875050
文摘We investigate the in-medium interparticle potential of hot gauge system with bound states by employing the QED and scalar QED coupling. At the finite temperature an oscillatory behavior of the potential has been found as well as its variation in terms of different free parameters. We expect the competition among the parameters will lead to an appropriate interparticle potential, which could be extended to discuss the fluid properties of QGP with scalar bound states.
文摘Biological macromolecules, such as proteins and polysaccharides, are widely used in food systems because their interactions impart a desirable texture to food products. Plant proteins interact with food components via protein-protein and protein-polysaccharide associations, and the formation of a matrix, which can entrap other food components such as water, lipids and flavors. These networks provide structural integrity to food products and can serve as important functional ingredients in processed foods. Intermolecular interactions of typical polysaccharides result either in simple associations or in the form of a double or triple helix. The linear double helical segments may then interact to form a super junction and a three-dimensional gel network. The formation of these structural networks takes place during processing and involves the transformation from a liquid or viscous sol into a solid material with elastic properties. Interests in the behavior of mixed gels center on the prospects of enhanced flexibility in their mechanical and structural properties compared to those of pure gels. Findings on molecular interactions between plant proteins (e.g., soy, canola and pea proteins) and polysaccharides (e.g., guar gum, carrageenan, and pectin) allow for the modification of physical and textural characteristics of mixed biopolymers to meet desired functional property.
基金supported by the National Natural Science Foundation of China(Grant No.10632040)
文摘This paper focuses on the 1/2 sub-harmonic resonance of an aircraft’s rotor system under hovering flight that can be modeled as a maneuver load G in the equations of motion.The effect on the rotor system is analyzed by using theoretical methods.It is shown that the sub-harmonic resonance may occur due to maneuvering flight conditions.The larger the eccentricity E and the maneuver load G,the greater the sub-harmonic resonance.The effects of nonlinear stiffness,damping of the system,maneuver load,and eccentricity on the sub-harmonic resonance region in parameter planes are also investigated.Bifurcation diagrams of the analytical solutions are in good agreement with that of the numerical simulation solutions.These results will contribute to the understanding of the nonlinear dynamic behaviors of maneuvering rotor systems.
基金supported by the National Natural Science Foundation of China (21425519)the Tsinghua University Startup Fund
文摘"Active" components can be introduced into a passive system to completely change its physical behavior from its typical behavior at thermodynamic equilibrium. To reveal the interaction mechanisms between individuals, researchers have designed unique self-propelled particles to mimic the collective behavior of biological systems. This review focuses on recent theoretical and experimental advances in the study of self-propelled particle systems and their individual and collective behaviors. The potential applications of active particles in chemical, biological and environmental sensing and single particle imaging are discussed.