Based on the discrete wavenumber method, we calculate the fields of dynamic Coulomb rupture stress changes and static stress changes caused by M6.5 earthquake in Wuding, and study their relationship with the subsequen...Based on the discrete wavenumber method, we calculate the fields of dynamic Coulomb rupture stress changes and static stress changes caused by M6.5 earthquake in Wuding, and study their relationship with the subsequent after- shocks. The results show that the spatial distribution patterns of the positive region of dynamic stress peak value and static stress peak value are similarly asymmetric, which are basically identical with distribution features of aftershock. The dynamic stress peak value and the static stress in the positive region are more than 0.1 MPa and 0.01 MPa of the triggering threshold, respectively, which indicates that the dynamic and static stresses are helpful for the occurrence of aftershock. This suggests that both influences of dynamic and static stresses should be con- sidered other than only either of them when studying aftershock triggering in near field.展开更多
Dynamic changes of a microbial community for lignocellulose degradation were explored in details. Community composition and development were investigated by the means of denaturing gradient gel electrophoresis （DGGE...Dynamic changes of a microbial community for lignocellulose degradation were explored in details. Community composition and development were investigated by the means of denaturing gradient gel electrophoresis （DGGE）, and results showed that the microbial community was constituted of 14 kinds of bacteria and presented the fluctuation in some degrees with fermentation. Furthmore, the result of cluster analysis of DGGE pattern was accordant with growth curve, and the degradation process was divided into three stages： initial stage （0-12 h）, intermediate stage （24-144 h） and end stage （144-216 h）.展开更多
Surfactant molecules, when dispersed in solution, have been shown to spontaneously form aggregates. Our previous studies on molecular dynamics(MD) calculations have shown that ionic sodium dodecyl sulfate molecules qu...Surfactant molecules, when dispersed in solution, have been shown to spontaneously form aggregates. Our previous studies on molecular dynamics(MD) calculations have shown that ionic sodium dodecyl sulfate molecules quickly aggregated even when the aggregation number is small. The aggregation rate, however, decreased for larger aggregation numbers. In addition, studies have shown that micelle formation was not completed even after a 100 ns-long MD run(Chem. Phys. Lett. 2016, 646, 36). Herein, we analyze the free energy change of micelle formation based on chemical species model combined with molecular dynamics calculations. First, the free energy landscape of the aggregation, ?G_(i+j)^+, where two aggregates with sizes i and j associate to form the(i + j)-mer, was investigated using the free energy of micelle formation of the i-mer, G_i^+, which was obtained through MD calculations. The calculated ?G_(i+j)^+ was negative for all the aggregations where the sum of DS ions in the two aggregates was 60 or less. From the viewpoint of chemical equilibrium, aggregation to the stable micelle is desired. Further, the free energy profile along possible aggregation pathways was investigated, starting from small aggregates and ending with the complete thermodynamically stable micelles in solution. The free energy profiles, G(l, k), of the aggregates at l-th aggregation path and k-th state were evaluated by the formation free energy ∑_in_i( l,k)G_i^+ and the free energy of mixing ∑_in_i( l,k)k_BTln( n_i( l,k)/n( l,k)), where ni(l, k) is the number of i-mer in the system at the l-th i aggregation path and k-th state, with n(l,k)= ∑_n_i( l,k). All the aggregation pathways were obtained from the initial i state of 12 pentamers to the stable micelle with i = 60. All the calculated G(l, k) values monotonically decreased with increasing k. This indicates that there are no free energy barriers along the pathways. Hence, the slowdown is not due to the thermodynamic stability of the aggregates, but rather the kinetics that inhibit the association of the fragments. The time required for a collision between aggregates, one of the kinetic factors, was evaluated using the fast passage time, t_(FPT). The calculated t_(FPT) was about 20 ns for the aggregates with N = 31. Therefore, if aggregation is a diffusion-controlled process, it should be completed within the 100 ns-simulation. However, aggregation does not occur due to the free energy barrier between the aggregates, that is, the repulsive force acting on them. This may be caused by electrostatic repulsions produced by the overlap of the electric double layers, which are formed by the negative charge of the hydrophilic groups and counter sodium ions on the surface of the aggregates.展开更多
为精确刻画匝道合流区客货混行条件下的车辆微观换道行为,本文以量化客货交互为切入点,构建并验证考虑货车影响的微观换道模型。首先,引入“压迫”概念,构建改进Morse势函数模型描述周边货车行驶对小汽车横纵驾驶行为产生的“压迫”影响...为精确刻画匝道合流区客货混行条件下的车辆微观换道行为,本文以量化客货交互为切入点,构建并验证考虑货车影响的微观换道模型。首先,引入“压迫”概念,构建改进Morse势函数模型描述周边货车行驶对小汽车横纵驾驶行为产生的“压迫”影响;随后,分析小汽车换道过程中的横纵向“压迫”变化,提出一种考虑货车“压迫”影响的车辆换道决策模型(Modified Morse-Based Lane-Changing model,MMBLC);最后,基于实测轨迹数据进行数值仿真,验证模型的稳定性与有效性,并进一步利用Python与SUMO(Simulation of Urban Mobility)联合仿真,对比MMBLC模型和现有换道模型在交通流中的表现。结果表明:在稳定性分析中,MMBLC模型对交通流的影响更小,恢复稳定的速度更快;在货车占比30%和交通量3600 veh·h-1的主路3车道客货混行匝道合流区中,MMBLC模型相比LC2013和MOBIL(Model of Optimal Control Based on Interacting Trajectories)模型,换道成功率分别提高11.9%和53.1%,危险场景占比分别降低10.5%和52.8%。展开更多
文摘Based on the discrete wavenumber method, we calculate the fields of dynamic Coulomb rupture stress changes and static stress changes caused by M6.5 earthquake in Wuding, and study their relationship with the subsequent after- shocks. The results show that the spatial distribution patterns of the positive region of dynamic stress peak value and static stress peak value are similarly asymmetric, which are basically identical with distribution features of aftershock. The dynamic stress peak value and the static stress in the positive region are more than 0.1 MPa and 0.01 MPa of the triggering threshold, respectively, which indicates that the dynamic and static stresses are helpful for the occurrence of aftershock. This suggests that both influences of dynamic and static stresses should be con- sidered other than only either of them when studying aftershock triggering in near field.
基金Supported by National Key Technology R&D Program (2006BAD7A 10)National High-tech R&D Program (863 Program) (2007AA100705)
文摘Dynamic changes of a microbial community for lignocellulose degradation were explored in details. Community composition and development were investigated by the means of denaturing gradient gel electrophoresis （DGGE）, and results showed that the microbial community was constituted of 14 kinds of bacteria and presented the fluctuation in some degrees with fermentation. Furthmore, the result of cluster analysis of DGGE pattern was accordant with growth curve, and the degradation process was divided into three stages： initial stage （0-12 h）, intermediate stage （24-144 h） and end stage （144-216 h）.
基金This work was supported by FLAGSHIP2020,MEXT within Priority Study 5(Development of New Fundamental Technologies for High-Efficiency Energy Creation,Conversion/Storage and Use)Using Computational Resources of the K Computer Provided by the RIKEN Advanced
文摘Surfactant molecules, when dispersed in solution, have been shown to spontaneously form aggregates. Our previous studies on molecular dynamics(MD) calculations have shown that ionic sodium dodecyl sulfate molecules quickly aggregated even when the aggregation number is small. The aggregation rate, however, decreased for larger aggregation numbers. In addition, studies have shown that micelle formation was not completed even after a 100 ns-long MD run(Chem. Phys. Lett. 2016, 646, 36). Herein, we analyze the free energy change of micelle formation based on chemical species model combined with molecular dynamics calculations. First, the free energy landscape of the aggregation, ?G_(i+j)^+, where two aggregates with sizes i and j associate to form the(i + j)-mer, was investigated using the free energy of micelle formation of the i-mer, G_i^+, which was obtained through MD calculations. The calculated ?G_(i+j)^+ was negative for all the aggregations where the sum of DS ions in the two aggregates was 60 or less. From the viewpoint of chemical equilibrium, aggregation to the stable micelle is desired. Further, the free energy profile along possible aggregation pathways was investigated, starting from small aggregates and ending with the complete thermodynamically stable micelles in solution. The free energy profiles, G(l, k), of the aggregates at l-th aggregation path and k-th state were evaluated by the formation free energy ∑_in_i( l,k)G_i^+ and the free energy of mixing ∑_in_i( l,k)k_BTln( n_i( l,k)/n( l,k)), where ni(l, k) is the number of i-mer in the system at the l-th i aggregation path and k-th state, with n(l,k)= ∑_n_i( l,k). All the aggregation pathways were obtained from the initial i state of 12 pentamers to the stable micelle with i = 60. All the calculated G(l, k) values monotonically decreased with increasing k. This indicates that there are no free energy barriers along the pathways. Hence, the slowdown is not due to the thermodynamic stability of the aggregates, but rather the kinetics that inhibit the association of the fragments. The time required for a collision between aggregates, one of the kinetic factors, was evaluated using the fast passage time, t_(FPT). The calculated t_(FPT) was about 20 ns for the aggregates with N = 31. Therefore, if aggregation is a diffusion-controlled process, it should be completed within the 100 ns-simulation. However, aggregation does not occur due to the free energy barrier between the aggregates, that is, the repulsive force acting on them. This may be caused by electrostatic repulsions produced by the overlap of the electric double layers, which are formed by the negative charge of the hydrophilic groups and counter sodium ions on the surface of the aggregates.
文摘为精确刻画匝道合流区客货混行条件下的车辆微观换道行为,本文以量化客货交互为切入点,构建并验证考虑货车影响的微观换道模型。首先,引入“压迫”概念,构建改进Morse势函数模型描述周边货车行驶对小汽车横纵驾驶行为产生的“压迫”影响;随后,分析小汽车换道过程中的横纵向“压迫”变化,提出一种考虑货车“压迫”影响的车辆换道决策模型(Modified Morse-Based Lane-Changing model,MMBLC);最后,基于实测轨迹数据进行数值仿真,验证模型的稳定性与有效性,并进一步利用Python与SUMO(Simulation of Urban Mobility)联合仿真,对比MMBLC模型和现有换道模型在交通流中的表现。结果表明:在稳定性分析中,MMBLC模型对交通流的影响更小,恢复稳定的速度更快;在货车占比30%和交通量3600 veh·h-1的主路3车道客货混行匝道合流区中,MMBLC模型相比LC2013和MOBIL(Model of Optimal Control Based on Interacting Trajectories)模型,换道成功率分别提高11.9%和53.1%,危险场景占比分别降低10.5%和52.8%。
