For understanding the rock microscopic damage and dynamic mechanical properties subjected to recurrent freeze-thaw cycles, experiments for five groups of homogeneous sandstone under different freeze-thaw cycles were c...For understanding the rock microscopic damage and dynamic mechanical properties subjected to recurrent freeze-thaw cycles, experiments for five groups of homogeneous sandstone under different freeze-thaw cycles were conducted. After freezethaw, nuclear magnetic resonance(NMR) tests and impact loading tests were carried out, from which microscopic damage characteristics of sandstone and dynamic mechanical parameters were obtained. The results indicate that the porosity increases with the increase of cycle number, the rate of porosity growth descends at the beginning of freeze-thaw, yet accelerates after a certain number of cycles. The proportion of pores with different sizes changes dynamically and the multi-scale distribution of pores tends to develop on pore structure with the continuing impact of freeze-thaw and thawing. Dynamic compressive stress-strain curve of sandstone undergoing freeze-thaw can be divided into four phases, and the phase of compaction is inconspicuous compared with the static curve. Elastic modulus and dynamic peak intensity of sandstone gradually decrease with freeze-thaw cycles, while peak strain increases. The higher the porosity is, the more serious the degradation of dynamic intensity is. The porosity is of a polynomial relationship with the dynamic peak intensity.展开更多
Agonist binding of A2A adenosine receptor (A2AAR) shows protective effects against inflammatory and immune. Efforts are exerted in understanding the general mechanism and developing A2AAR selectively binding agonist...Agonist binding of A2A adenosine receptor (A2AAR) shows protective effects against inflammatory and immune. Efforts are exerted in understanding the general mechanism and developing A2AAR selectively binding agonists. Using molecular dynamics (MD) simula- tions, we have studied the interactions between A2AAR and its agonist (adenosine), and analyzed the induced dynamic behaviors of the receptor. Key residues interacting with adenosine are identified: A63^2.61,I66^2.64,V84^3.32,L85^3.33,T88^3.36,F168^5.29,M177^5.38,L249^6.51,H250^6.52 and N253^6.55 interacting with adenosine with affinities larger than 0.5 kcal/mol. Moreover, no interaction between adenosine and L167^5.28 is observed, which supports our previous findings that L1675^5.28 is an antagonist specific binding reside. The dynamic be- haviors of agonist bound A2AAR are found to be different from apo-A2AAR in three typical functional switches: (i) tight "ionic lock" forms in adenosine-A2AAR, but it is in equilibrium between formation and breakage in apo-A2AAR; (ii) the "rotamer toggle switch", T88^3.36/F242^6.44/W246^6.48, adopted different rotameric conformations in adenosin-A2AAR and apo-A2AAR; (iii) adenosine-A2AAR has a flexible intracellular loop 2 (IC2) and s-helical IC3, while apo-A2AAR preferred s-helical IC2 and flexible IC3. Our results indicate that agonist binding induced different conformational rearrangements of these characteristic functional switches in adenosine-A2AAR and apo-A2AAR.展开更多
To improve the vibration-isolation performance of cab seats,the optimization model of the seat suspension system of construction machinery cabs is proposed based on the negative stiffness structure.The negative stiffn...To improve the vibration-isolation performance of cab seats,the optimization model of the seat suspension system of construction machinery cabs is proposed based on the negative stiffness structure.The negative stiffness nonlinear kinetic equation is established by designing the seat negative stiffness suspension structure(NSS).Using MATLAB,the different parameters of the suspension system and their influences on the dynamic stiffness are analyzed.The ideal configuration parameter range of the suspension system is obtained.Meanwhile,the optimization model of NSS is proposed,and the vibration transmissibility characteristics are simulated and analyzed by different methods.The results show that the displacement and acceleration amplitudes of the optimized seat suspension system are evidently reduced,and the four-time power vibration dose value and root mean square calculation values in the vertical vibration direction of the seat decrease by 86%and 87%,respectively.Seat effective amplitude transmissibility(SEAT)and the vibration transmissibility ratio values also decrease.Moreover,the peak frequencies of the vibration transmitted to the driver deviate from the key frequency values,which easily cause human discomfort.Thus,the design of the seat suspension system has no effect on the health condition of the driver after being vibrated.The findings also illustrate that the NSS suspension system has good vibration-isolation performance,and the driver's ride comfort is improved.展开更多
The dynamic equivalent continuum modeling method of the mast which is based on energy equivalency principle was investigated. And three kinds of mast dynamic model were established, which were equivalent continuum mod...The dynamic equivalent continuum modeling method of the mast which is based on energy equivalency principle was investigated. And three kinds of mast dynamic model were established, which were equivalent continuum model, finite element model and simulation model, respectively. The mast frequencies and mode shapes were calculated by these models and compared with each other. The error between the equivalent continuum model and the finite element model is less than 5% when the mast length is longer. Dynamic responses of the mast with different lengths are tested, the mode frequencies and mode shapes are compared with finite element model. The mode shapes match well with each other, while the frequencies tested by experiments are lower than the results of the finite element model, which reflects the joints lower the mast stiffness. The nonlinear dynamic characteristics are presented in the dynamic responses of the mast under different excitation force levels. The joint nonlinearities in the deployable mast are identified as nonlinear hysteresis contributed by the coulomb friction which soften the mast stiffness and lower the mast frequencies.展开更多
Damage in the structures alters the structural dynamic behavior. Damage generally occurs locally in the components of structures, and its effect often exhibits in the changes of both local and global characteristics o...Damage in the structures alters the structural dynamic behavior. Damage generally occurs locally in the components of structures, and its effect often exhibits in the changes of both local and global characteristics of structures. Better understanding of this relationship helps to monitor and assess the condition of structures and develop dynamics-based structural health monitoring techniques. In this study, the relationship between the local damage and structural dynamic behavior is investigated. To validate the concept, an experiment of a three-dimensional (3-D) steel frame structure with different magnitudes of local damage is illustrated. The experimental results indicate that the change of global resonant response between the intact and damage structure is not obvious. The change of local resonant responses measured near the location of saw-cut crack damage is quite significant. The experimental study conducted indicates that the local resonant responses at the low order resonance can be used as an effective damage identification method to detect and quantify the local damage in the 3D frame structures.展开更多
Room temperature ionic liquids(RTILs) with dispersed carbon pieces exhibit distinctive physiochemical properties. To explore the molecular mechanism, RTILs/carbon pieces mixture was investigated by molecular dynamics(...Room temperature ionic liquids(RTILs) with dispersed carbon pieces exhibit distinctive physiochemical properties. To explore the molecular mechanism, RTILs/carbon pieces mixture was investigated by molecular dynamics(MD) simulation in this work. Rigid and flexible carbon pieces in the form of graphene with different thicknesses and carbon nanotubes in different sizes were dispersed in a representative RTIL 1-butyl-3-methyl-imidazolium dicyanamide([Bmim][DCA]). This study demonstrated that the diffusion coefficients of RTILs in the presence of flexible carbons are similar to those of bulk RTILs at varying temperatures, which is in contrast to the decreased diffusion of RTILs in the presence of rigid carbons. In addition, interfacial ion number density at rigid carbon surfaces was higher than that at flexible ones, which is correlated with the accessible external surface area of carbon pieces. The life time of cation-anion pair in the presence of carbon pieces also exhibited a dependence on carbon flexibility. RTILs with dispersed rigid carbon pieces showed longer ion pair life time than those with flexible ones, in consistence with the observation in diffusion coefficients. This work highlights the necessity of including the carbon flexibility when performing MD simulation of RTILs in the presence of dispersed carbon pieces in order to obtain the reliable dynamical and interfacial structural properties.展开更多
The structural and dynamic properties of nanoscale ethanol film on a mica surface are investigated via molecular dynamics simulations. We observe a dense, almost fiat ethanol bilayer formed in the vicinity of the mica...The structural and dynamic properties of nanoscale ethanol film on a mica surface are investigated via molecular dynamics simulations. We observe a dense, almost fiat ethanol bilayer formed in the vicinity of the mica surface, with the hydrophobic alkyl groups pointing outward from the surface. Remarkably, such ethanol bilayer is laterally well-ordered with patterned adsorption sites. Each ethanol molecule in the first layer donates one hydrogen bond to the surface basal oxygen atoms and accepts one hydrogen bond from that in the second layer. The ethanol molecules within the bilayer exhibit constrained lateral mobility and delayed dynamics as compared with bulk ethanol, whereas those on top of the bilayer have bulk-like characteristics.展开更多
基金Project(2013YQ17046310)supported by the National Key Scientific Instrument and Equipment Development Project of ChinaProject(2013M542138)supported by China Postdoctoral Science FoundationProjects(20130162110010,20130162120012)supported by Specialized Research Fund for the Doctoral Program of Higher Education of China
文摘For understanding the rock microscopic damage and dynamic mechanical properties subjected to recurrent freeze-thaw cycles, experiments for five groups of homogeneous sandstone under different freeze-thaw cycles were conducted. After freezethaw, nuclear magnetic resonance(NMR) tests and impact loading tests were carried out, from which microscopic damage characteristics of sandstone and dynamic mechanical parameters were obtained. The results indicate that the porosity increases with the increase of cycle number, the rate of porosity growth descends at the beginning of freeze-thaw, yet accelerates after a certain number of cycles. The proportion of pores with different sizes changes dynamically and the multi-scale distribution of pores tends to develop on pore structure with the continuing impact of freeze-thaw and thawing. Dynamic compressive stress-strain curve of sandstone undergoing freeze-thaw can be divided into four phases, and the phase of compaction is inconspicuous compared with the static curve. Elastic modulus and dynamic peak intensity of sandstone gradually decrease with freeze-thaw cycles, while peak strain increases. The higher the porosity is, the more serious the degradation of dynamic intensity is. The porosity is of a polynomial relationship with the dynamic peak intensity.
文摘Agonist binding of A2A adenosine receptor (A2AAR) shows protective effects against inflammatory and immune. Efforts are exerted in understanding the general mechanism and developing A2AAR selectively binding agonists. Using molecular dynamics (MD) simula- tions, we have studied the interactions between A2AAR and its agonist (adenosine), and analyzed the induced dynamic behaviors of the receptor. Key residues interacting with adenosine are identified: A63^2.61,I66^2.64,V84^3.32,L85^3.33,T88^3.36,F168^5.29,M177^5.38,L249^6.51,H250^6.52 and N253^6.55 interacting with adenosine with affinities larger than 0.5 kcal/mol. Moreover, no interaction between adenosine and L167^5.28 is observed, which supports our previous findings that L1675^5.28 is an antagonist specific binding reside. The dynamic be- haviors of agonist bound A2AAR are found to be different from apo-A2AAR in three typical functional switches: (i) tight "ionic lock" forms in adenosine-A2AAR, but it is in equilibrium between formation and breakage in apo-A2AAR; (ii) the "rotamer toggle switch", T88^3.36/F242^6.44/W246^6.48, adopted different rotameric conformations in adenosin-A2AAR and apo-A2AAR; (iii) adenosine-A2AAR has a flexible intracellular loop 2 (IC2) and s-helical IC3, while apo-A2AAR preferred s-helical IC2 and flexible IC3. Our results indicate that agonist binding induced different conformational rearrangements of these characteristic functional switches in adenosine-A2AAR and apo-A2AAR.
基金The National Natural Science Foundation of China(No.11902207,No.52072072)the Natural Science Foundation of Hebei Province(A2020210018)Higher Education Teaching Research Project(No.Y2020-15).
文摘To improve the vibration-isolation performance of cab seats,the optimization model of the seat suspension system of construction machinery cabs is proposed based on the negative stiffness structure.The negative stiffness nonlinear kinetic equation is established by designing the seat negative stiffness suspension structure(NSS).Using MATLAB,the different parameters of the suspension system and their influences on the dynamic stiffness are analyzed.The ideal configuration parameter range of the suspension system is obtained.Meanwhile,the optimization model of NSS is proposed,and the vibration transmissibility characteristics are simulated and analyzed by different methods.The results show that the displacement and acceleration amplitudes of the optimized seat suspension system are evidently reduced,and the four-time power vibration dose value and root mean square calculation values in the vertical vibration direction of the seat decrease by 86%and 87%,respectively.Seat effective amplitude transmissibility(SEAT)and the vibration transmissibility ratio values also decrease.Moreover,the peak frequencies of the vibration transmitted to the driver deviate from the key frequency values,which easily cause human discomfort.Thus,the design of the seat suspension system has no effect on the health condition of the driver after being vibrated.The findings also illustrate that the NSS suspension system has good vibration-isolation performance,and the driver's ride comfort is improved.
基金Projects(50935002, 11002039) supported by the National Natural Science Foundation of ChinaProject(HIT.KLOF.2009062) supported by Key Laboratory Opening Funding of Aerospace Mechanism and Control Technology,Chinasupport by "111 Project" (Grant No.B07018)
文摘The dynamic equivalent continuum modeling method of the mast which is based on energy equivalency principle was investigated. And three kinds of mast dynamic model were established, which were equivalent continuum model, finite element model and simulation model, respectively. The mast frequencies and mode shapes were calculated by these models and compared with each other. The error between the equivalent continuum model and the finite element model is less than 5% when the mast length is longer. Dynamic responses of the mast with different lengths are tested, the mode frequencies and mode shapes are compared with finite element model. The mode shapes match well with each other, while the frequencies tested by experiments are lower than the results of the finite element model, which reflects the joints lower the mast stiffness. The nonlinear dynamic characteristics are presented in the dynamic responses of the mast under different excitation force levels. The joint nonlinearities in the deployable mast are identified as nonlinear hysteresis contributed by the coulomb friction which soften the mast stiffness and lower the mast frequencies.
基金supported by the National Natural Science Foundation of China (Grant Nos. 11132003 and 51079045)
文摘Damage in the structures alters the structural dynamic behavior. Damage generally occurs locally in the components of structures, and its effect often exhibits in the changes of both local and global characteristics of structures. Better understanding of this relationship helps to monitor and assess the condition of structures and develop dynamics-based structural health monitoring techniques. In this study, the relationship between the local damage and structural dynamic behavior is investigated. To validate the concept, an experiment of a three-dimensional (3-D) steel frame structure with different magnitudes of local damage is illustrated. The experimental results indicate that the change of global resonant response between the intact and damage structure is not obvious. The change of local resonant responses measured near the location of saw-cut crack damage is quite significant. The experimental study conducted indicates that the local resonant responses at the low order resonance can be used as an effective damage identification method to detect and quantify the local damage in the 3D frame structures.
基金supported by the National Natural Science Foundation of China (51406060)the Natural Science Foundation of Hubei Province of China (2014CFA089)+2 种基金the Fundamental Research Funds for the Central Universities (2015ZZGH008)the support from the Fluid Interface Reactions, Structures and Transport (FIRST), an Energy Frontier Research Center funded by the U.S. Department of Energy, Office of Science, Office of Basic Energy Sciencesthe National Energy Research Scientific Computing Center, which is supported by the Office of Science of the U.S. Department of Energy under Contract DEAC02-05CH11231
文摘Room temperature ionic liquids(RTILs) with dispersed carbon pieces exhibit distinctive physiochemical properties. To explore the molecular mechanism, RTILs/carbon pieces mixture was investigated by molecular dynamics(MD) simulation in this work. Rigid and flexible carbon pieces in the form of graphene with different thicknesses and carbon nanotubes in different sizes were dispersed in a representative RTIL 1-butyl-3-methyl-imidazolium dicyanamide([Bmim][DCA]). This study demonstrated that the diffusion coefficients of RTILs in the presence of flexible carbons are similar to those of bulk RTILs at varying temperatures, which is in contrast to the decreased diffusion of RTILs in the presence of rigid carbons. In addition, interfacial ion number density at rigid carbon surfaces was higher than that at flexible ones, which is correlated with the accessible external surface area of carbon pieces. The life time of cation-anion pair in the presence of carbon pieces also exhibited a dependence on carbon flexibility. RTILs with dispersed rigid carbon pieces showed longer ion pair life time than those with flexible ones, in consistence with the observation in diffusion coefficients. This work highlights the necessity of including the carbon flexibility when performing MD simulation of RTILs in the presence of dispersed carbon pieces in order to obtain the reliable dynamical and interfacial structural properties.
基金Supported by Grants from Chinese Academy of Sciences,the National Natural Science Foundation of China under Grant No. 10825520National Basic Research Program of China under Grant No. 2007CB936000China Postdoctoral Science Foundation under Grant No. 20100480645
文摘The structural and dynamic properties of nanoscale ethanol film on a mica surface are investigated via molecular dynamics simulations. We observe a dense, almost fiat ethanol bilayer formed in the vicinity of the mica surface, with the hydrophobic alkyl groups pointing outward from the surface. Remarkably, such ethanol bilayer is laterally well-ordered with patterned adsorption sites. Each ethanol molecule in the first layer donates one hydrogen bond to the surface basal oxygen atoms and accepts one hydrogen bond from that in the second layer. The ethanol molecules within the bilayer exhibit constrained lateral mobility and delayed dynamics as compared with bulk ethanol, whereas those on top of the bilayer have bulk-like characteristics.