To explore the influence of the meso-mechanical behaviors of the wet coal dust layers on the contact stiffness of mechanical bonding surfaces,a three-body contact model incorporating an interface with wet coal dust wa...To explore the influence of the meso-mechanical behaviors of the wet coal dust layers on the contact stiffness of mechanical bonding surfaces,a three-body contact model incorporating an interface with wet coal dust was constructed based on breakage theory.The model considered the mechanical surface morphology and contact characteristics of the wet coal dust.The force chain evolution laws of the wet coal dust layer were elucidated under the effects of gap filling and the cover layer,and the bearing characteristics of the three-body contact bonding surfaces were revealed by quantitative analyses of the number,length,collimation coefficient,and coordination number of the force chains within the wet coal dust layer.Finally,the three-body normal contact stiffness under various preload forces was computed and experimentally validated.The results demonstrate that the external load transfer path of the three-body contact bonding surfaces was from mechanical surface(macroscopic stress)to wet coal dust layer(mesoscopic force chains)and then to mechanical surface(peaks and valleys).The interactions among these three elements contributed to transforming the distributions of the macroscopic stresses and mesoscopic force chains to the locations at the peaks and valleys of the mechanical surface.Among them,the proportion of short force chains in the wet coal dust layer increased from approximately 0.8%–91%,while the proportion of long force chains exhibited an opposite changing trend.The force chain collimation coefficient initially increased and subsequently stabilized,reaching a maximum value of 0.93.A large number of broken,small particles in the wet coal dust layer mainly served to fill the gaps among large particles.The maximum relative error between the experimental and simulated values on the three-body contact stiffness is 7.26%,indicating that the simulation results can be an approximate substitute for the experimental results with a certain degree of accuracy and practicality.The research results are of great significance for understanding the contact characteristics of mechanical surfaces containing particulate media.展开更多
The dispersion behavior and spatial distribution of nanoparticles(NPs)in ring polymer melts are explored by using molecular dynamics(MD)simulations.As polymer-NP interactions increase,three general categories of polym...The dispersion behavior and spatial distribution of nanoparticles(NPs)in ring polymer melts are explored by using molecular dynamics(MD)simulations.As polymer-NP interactions increase,three general categories of polymer-mediated NP organization are observed,namely,contact aggregation,bridging,and steric dispersion,consistent with the results of equivalent linear ones in previous studies.In the case of direct contact aggregation among NPs,the explicit aggregation-dispersion transition of NPs in ring polymer melts can be induced by increasing the chain stiffness or applying a steady shear flow.Results further indicate that NPs can achieve an optimal dispersed state with the appropriate chain stiffness and shear flow.Moreover,shear flow cannot only improve the dispersion of NPs in ring polymer melts but also control the spatial distribution of NPs into a well-ordered structure.This improvement becomes more evident under stronger polymer-NP interactions.The observed induced-dispersion or ordered distribution of NPs may provide efficient access to the design and manufacture of high-performance polymer nanocomposites(PNCs).展开更多
In this paper, we present the coil-to-globule(CG) transitions of homopolymers and multiblock copolymers with different topology and stiffness by using molecular dynamics with integrated tempering sampling method. The ...In this paper, we present the coil-to-globule(CG) transitions of homopolymers and multiblock copolymers with different topology and stiffness by using molecular dynamics with integrated tempering sampling method. The sampling method was a novel enhanced method that efficiently sampled the energy space with low computational costs. The method proved to be efficient and precise to study the structural transitions of polymer chains with complex topological constraint, which may not be easily done by using conventional Monte Carlo method. The topological constraint affects the globule shape of the polymer chain, thus further influencing the CG transition. We found that increasing the topological constraint generally decreased CG transition temperature for homopolymers. For semiflexible chains, an additional first-order like symmetry-broken transition emerged. For block copolymers, the topological constraint did not obviously change the transition temperature, but greatly reduced the energy signal of the CG transition.展开更多
在有盐环境下贮藏和加工凉粉草胶必须了解其多糖分子对盐的敏感性,该文绘制了凉粉草胶多糖在不同离子强度N aC l、KC l、M gC l2和C aC l2溶液中的Hugg ins'图,分别计算其分子链在这4种离子溶液中的耐盐度S、链刚性度B等值,结果发现...在有盐环境下贮藏和加工凉粉草胶必须了解其多糖分子对盐的敏感性,该文绘制了凉粉草胶多糖在不同离子强度N aC l、KC l、M gC l2和C aC l2溶液中的Hugg ins'图,分别计算其分子链在这4种离子溶液中的耐盐度S、链刚性度B等值,结果发现:凉粉草胶多糖在4种离子溶液中,其耐盐性由强到弱的顺序为:K+>N a+>M g++>C a++,其分子链的构象在4种离子溶液中由柔到刚的顺序为:K+>N a+>M g++>C a++,这说明凉粉草胶多糖适合在KC l溶液中贮藏和加工。与其他多糖分子链在N aC l溶液中的B值比较后发现,凉粉草胶多糖的分子链构象较海藻酸钠要刚,较黄原胶要柔,这说明凉粉草胶比黄原胶更适合在N aC l溶液中贮藏和加工。展开更多
基金the National Natural Science Foundation of China(grant No.52204214)the China Postdoctoral Science Foundation(grant No.2023M741502)the University-local government scientific and technical cooperation cultivation project of Ordos Institute-LNTU(grant No.YJY-XD-2023-009).
文摘To explore the influence of the meso-mechanical behaviors of the wet coal dust layers on the contact stiffness of mechanical bonding surfaces,a three-body contact model incorporating an interface with wet coal dust was constructed based on breakage theory.The model considered the mechanical surface morphology and contact characteristics of the wet coal dust.The force chain evolution laws of the wet coal dust layer were elucidated under the effects of gap filling and the cover layer,and the bearing characteristics of the three-body contact bonding surfaces were revealed by quantitative analyses of the number,length,collimation coefficient,and coordination number of the force chains within the wet coal dust layer.Finally,the three-body normal contact stiffness under various preload forces was computed and experimentally validated.The results demonstrate that the external load transfer path of the three-body contact bonding surfaces was from mechanical surface(macroscopic stress)to wet coal dust layer(mesoscopic force chains)and then to mechanical surface(peaks and valleys).The interactions among these three elements contributed to transforming the distributions of the macroscopic stresses and mesoscopic force chains to the locations at the peaks and valleys of the mechanical surface.Among them,the proportion of short force chains in the wet coal dust layer increased from approximately 0.8%–91%,while the proportion of long force chains exhibited an opposite changing trend.The force chain collimation coefficient initially increased and subsequently stabilized,reaching a maximum value of 0.93.A large number of broken,small particles in the wet coal dust layer mainly served to fill the gaps among large particles.The maximum relative error between the experimental and simulated values on the three-body contact stiffness is 7.26%,indicating that the simulation results can be an approximate substitute for the experimental results with a certain degree of accuracy and practicality.The research results are of great significance for understanding the contact characteristics of mechanical surfaces containing particulate media.
基金Project supported by the National Natural Science Foundation of China(Nos.21674082 and 21973070)the Natural Science Foundation of Zhejiang Province(No.LY19B040006),China。
文摘The dispersion behavior and spatial distribution of nanoparticles(NPs)in ring polymer melts are explored by using molecular dynamics(MD)simulations.As polymer-NP interactions increase,three general categories of polymer-mediated NP organization are observed,namely,contact aggregation,bridging,and steric dispersion,consistent with the results of equivalent linear ones in previous studies.In the case of direct contact aggregation among NPs,the explicit aggregation-dispersion transition of NPs in ring polymer melts can be induced by increasing the chain stiffness or applying a steady shear flow.Results further indicate that NPs can achieve an optimal dispersed state with the appropriate chain stiffness and shear flow.Moreover,shear flow cannot only improve the dispersion of NPs in ring polymer melts but also control the spatial distribution of NPs into a well-ordered structure.This improvement becomes more evident under stronger polymer-NP interactions.The observed induced-dispersion or ordered distribution of NPs may provide efficient access to the design and manufacture of high-performance polymer nanocomposites(PNCs).
基金supported by the National Basic Research Program of China(2012CB821500)the National Natural Science Foundation of China(21025416)Jilin Province Science and Technology Development Plan(20140519004JH)
文摘In this paper, we present the coil-to-globule(CG) transitions of homopolymers and multiblock copolymers with different topology and stiffness by using molecular dynamics with integrated tempering sampling method. The sampling method was a novel enhanced method that efficiently sampled the energy space with low computational costs. The method proved to be efficient and precise to study the structural transitions of polymer chains with complex topological constraint, which may not be easily done by using conventional Monte Carlo method. The topological constraint affects the globule shape of the polymer chain, thus further influencing the CG transition. We found that increasing the topological constraint generally decreased CG transition temperature for homopolymers. For semiflexible chains, an additional first-order like symmetry-broken transition emerged. For block copolymers, the topological constraint did not obviously change the transition temperature, but greatly reduced the energy signal of the CG transition.
文摘在有盐环境下贮藏和加工凉粉草胶必须了解其多糖分子对盐的敏感性,该文绘制了凉粉草胶多糖在不同离子强度N aC l、KC l、M gC l2和C aC l2溶液中的Hugg ins'图,分别计算其分子链在这4种离子溶液中的耐盐度S、链刚性度B等值,结果发现:凉粉草胶多糖在4种离子溶液中,其耐盐性由强到弱的顺序为:K+>N a+>M g++>C a++,其分子链的构象在4种离子溶液中由柔到刚的顺序为:K+>N a+>M g++>C a++,这说明凉粉草胶多糖适合在KC l溶液中贮藏和加工。与其他多糖分子链在N aC l溶液中的B值比较后发现,凉粉草胶多糖的分子链构象较海藻酸钠要刚,较黄原胶要柔,这说明凉粉草胶比黄原胶更适合在N aC l溶液中贮藏和加工。
