Elastic behaviors of protein-like chains are investigated by Pruned-Enriched-Rosenbluth method and modified orientation-dependent monomer-monomer interactions model. The protein-like chain is pulled away from the attr...Elastic behaviors of protein-like chains are investigated by Pruned-Enriched-Rosenbluth method and modified orientation-dependent monomer-monomer interactions model. The protein-like chain is pulled away from the attractive surface slowly with elastic force acting on it. Strong adsorption interaction and no adsorption interaction are both considered. We calculate the characteristic ratio and shape factor of protein-like chains in the process of elongation. The conformation change of the protein-like chain is well depicted. The shape of chain changes from “rod” to “sphere” at the beginning of elongation. Then, the shape changes from “sphere” to “rod”. In the end, the shape becomes a “sphere” as the chain leaves away from the surface. In the meantime, we discuss average Helmoholtz free energy per bond, average energy per bond, average adsorbed energy per bond, average α-helical energy per bond, average β-sheet energy per bond and average contact energy per bond. On the other hand, elastic force is also studied. It is found that elastic force has a long plateau during the tensile elongation when there exists adsorption interaction. This result is consistent with SMFS experiment of general polymers. Energy contribution to elastic force and contact energy contribution to elastic force are both discussed. These investigations can provide some insights into the elastic behaviors of adsorbed protein chains.展开更多
Based on the nonlinear displacement-strain relationship,the virtual work principle method was used to establish the nonlinear equilibrium equations of steel beams with semi-rigid connections under vertical uniform loa...Based on the nonlinear displacement-strain relationship,the virtual work principle method was used to establish the nonlinear equilibrium equations of steel beams with semi-rigid connections under vertical uniform loads and temperature change.Considering the non-uniform temperature distribution across the thickness of beams,the formulas for stresses and vertical displacements were presented.On the basis of a flowchart for analysis of the numerical example,the effect of temperature change on the elastic behavior of steel beams was investigated.It is found that the maximal stress is mainly influenced by axial temperature change,and the maximal vertical displacement is principally affected by temperature gradients.And the effect of temperature gradients on the maximal vertical displacement decreases with the increase of rotational stiffness of joints.Both the maximal stress and vertical displacement decrease with the increase of rotational stiffness of joints.It can be concluded that the effects of temperature changes and rotational stiffness of joints on the elastic behavior of steel beams are significant.However,the influence of rotational stiffness becomes smaller when the rotational stiffness is larger.展开更多
Elastic behavior of 4-branched star polymer chain with different chain length N adsorbed on attractive surface is investigated using steered molecular dynamics （SMD） simulation method based on the united-atom （UA）...Elastic behavior of 4-branched star polymer chain with different chain length N adsorbed on attractive surface is investigated using steered molecular dynamics （SMD） simulation method based on the united-atom （UA） model for branched alkanes. The simulation is realized by pulling up the chain via a linear spring with a constant velocity v = 0.005 nm/ps. At the beginning, the chain lies extensionally on adsorbed surface and suffers continuous deformations during the tensile process. Statistical parameters as mean-square radii of gyration 〈S2〉xy, 〈S2〉z, shape factor 〈δ〉, describing the conformational changes, sectional density 〈den〉 which gives the states of the chain, and average surface attractive energy 〈Ua〉, average total energy 〈U〉, average force 〈f〉 probed by the spring, which characterize the thermodynamic properties, are calculated in the stimulant process. Remarkably, distinguishing from the case in linear chains that there only exists one long plateau in the curve of 〈f 〉, the force plateau in our study for star chains is multiple, denoting different steps of desorption, and this agrees well with the experimental results in essence. We find during the tensile process, there are three characteristic distances Zc, Zt and Z0 from the attractive surface, and these values vary with N. When Z = Zc, the chain is stripped from the surface, but due to the form of wall-monomer interaction, the surface retains weak influence on the chain till Z = Zc. From Z = Zt, parameters 〈Ua〉, 〈U〉 and 〈f〉 respectively reach a stable value, while the shape and the size of the chain still need adjustments after Zt till Zo to reach their equilibrium states. Specifically, for short chain of N = 41, Zt and Z0 are incorporated. These results may help us to deepen the knowledge about the elastic behavior of adsorbed star polymer chains.展开更多
The elastic behavior of the polymer chain was investigated in a three-dimensional off-lattice model. We sample more than 109 conformations of each kind of polymer chain by using a Monte Carlo algorithm, then analyze t...The elastic behavior of the polymer chain was investigated in a three-dimensional off-lattice model. We sample more than 109 conformations of each kind of polymer chain by using a Monte Carlo algorithm, then analyze them with the non-Gaussian theory of rubberlike elasticity, and end with a statistical study. Through observing the effect of the chain flexibility and the stretching ratio on the mean-square end-to-end distance, the average energy, the average Helmholtz free energy, the elastic force, the contribution of energy to the elastic force, and the entropy contribution to elastic force of the polymer chain, we find that a rigid polymer chain is much easier to stretch than a flexible polymer chain. Also, a rigid polymer chain will become difficult to stretch only at a quite high stretching ratio because of the effect of the entropy contribution. These results of our simulation calculation may explain some of the macroscopic phenomena of polymer and biomacromolecular elasticity.展开更多
The objective of this study was to determine the overall thermal elastic behavior of composites by homogenization method. The results obtained were compared with those by other well-known methods such as mean field me...The objective of this study was to determine the overall thermal elastic behavior of composites by homogenization method. The results obtained were compared with those by other well-known methods such as mean field method , self-consistent method and etc. A good agreement is achieved and thus a reliable nwthod for predicting the effective behavior of composite is presented. It is very easy to extend this method to multi-phase composite. The materiol properties determined here include elastic modulus, Poisson ratio and thermal expansion coefficient （CTE）.展开更多
The conformational properties and elastic behaviors of protein-like single chains in the process of tensileelongation were investigated by means of Monte Carlo method.The sequences of protein-like single chains contai...The conformational properties and elastic behaviors of protein-like single chains in the process of tensileelongation were investigated by means of Monte Carlo method.The sequences of protein-like single chains contain two typesof residues:hydrophobic(H)and hydrophilic(P).The average conformations and thermodynamics statistical properties ofprotein-like single chains with various elongation ratio λ were calculated.It was found that the mean-square end-to-enddistance<R^2>(?).increases with elongation ratio λ.The tensor eigenvalues ratio of<L_2~2>:<L_1~2>decreases with elongationratio λ for short(HP)_x protein-like polymers,however,the ratio of<L_3~2>:<L_1~2>increases with elongation ratio λ,especially for long (H)_x sequence.Average energy per bond increases with elongation ratio λ,especially for (H)_xprotein-like single chains.Helmholtz free energy per bond also increases with elongation ratio λ.Elastic force(f),energycontribution to force(f_U)and entropy contribution to force(fs)for different protein-like single chains were also calculated.These investigations may provide some insights into elastic behaviors of proteins.展开更多
Transurethral ureteral lithotripsy (TUL) is a treatment that breaks stones by irradiating a pulsed laser through an optical fiber. Heat and impulsive force of the laser may affect nearby tissues during treatment. A bu...Transurethral ureteral lithotripsy (TUL) is a treatment that breaks stones by irradiating a pulsed laser through an optical fiber. Heat and impulsive force of the laser may affect nearby tissues during treatment. A bubble induced by the pulsed laser plays an important role in laser lithotripsy. It is important to understand effects of the bubble on the surroundings by simulating treatment in a narrow space such as in a ureter. In this study, we observe behaviors of the bubble in the narrow space inside a soft material simulating under <em>i</em><em></em><em>n vivo</em> condition. The bubble formed under various laser irradiation conditions exhibits characteristic behavior, and the surrounding elastic wall is compressed and bulged when the bubble grows and collapses. In the case of bubble formed near the elastic wall, the bubble contacts with the elastic wall during growth, and severe large deformation of the elastic wall is observed at bubble collapse. According to the temperature measurement, a temperature rise of 25<span style="white-space:nowrap;">℃</span> - 30<span style="white-space:nowrap;">℃</span> occurs in the area where the bubbles are in contact. From the above, by presenting the deformation of the elastic wall and temperature increase, we can show useful information to improve the safety for treatment at narrow space.展开更多
In early winter it is usual, in cold regions, that ice features approach offshore structures, like offshore platforms, impacting them, in a slow process of constant deformation build up. Interaction follows, in many c...In early winter it is usual, in cold regions, that ice features approach offshore structures, like offshore platforms, impacting them, in a slow process of constant deformation build up. Interaction follows, in many cases, up to the point where ice-failure caused by bending fracture takes place. This supposes very large contact forces that the structure has to resist. Therefore, quantification of these efforts is of vital importance to the structural design of platforms. In several designs, these platforms are constructed with inclined walls so as to cause ice to fail in a flex-compression mode. In such a case the ice feature is analyzed as a beam constituted of a linear elastic material in brittle state with constant ice thickness. The simplification renders the problem solvable in a close form. However, this hypothesis goes against field observations. Marine currents action, wind and the sequence of contacts among features lead to thickness variations. Here this factor is addressed in the construction of a model, for harmonic forms of variation of thickness profile, and the accompanying curvature variations, whose solution determines field variables used to address the failure question. Due to the deformation dependency of the loading, a numerical scheme for the two-point boundary value problem in the semi-infinite space is developed. Failure pressures are computed based on a Rankine locus of failure. Variations of the order of 20% in the failure loads, as compared to the uniform beam model, are observed.展开更多
The elastic behavior of a single chain transporting through complex channel which can be seen as the combination of three different channels （left channel, middle channel, and right channel, respectively） is investi...The elastic behavior of a single chain transporting through complex channel which can be seen as the combination of three different channels （left channel, middle channel, and right channel, respectively） is investigated using the new pruned-enriched Rosenbluth method with importance sampling. The elastic force during the translocation process is calculated. At the entrance into the middle channel, there is the first plateau in the curve of the elastic force f （f〉0） versus x, here x represents the position of the first monomer along the x-axis direction. When the first monomer moves to a certain position, a second plateau is observed with the elastic force f〈0, which represents spontaneous translocation. The free energy difference between the subchain in the right channel and the subchain in the left channel may drive the transloeation. The influence of chain length and width of the left and right channels on the translocation process are also investigated. From the simulation results, more detailed explanations for the reason why the component translocation time is not the same for different channels can be presented.展开更多
The relationship between texture and elastic properties of chemical vapor deposition （CVD） diamond films was analyzed based on the phenomenological theory, which reveals the influence of crystalline orientation and ...The relationship between texture and elastic properties of chemical vapor deposition （CVD） diamond films was analyzed based on the phenomenological theory, which reveals the influence of crystalline orientation and texture on the residual macro-strain and macro-stress. The phenomenological calculations indicated that the difference in Young＇s modulus could be 15% in single diamond crystals and 5% in diamond films with homogeneously distributed strong fiber texture. The experimentally measured residual strains of free-standing CVD diamond films were in good agreement with the correspondingly calculated Young＇s modulus in connection with the multi-fiber textures in the films, though the difference in Young＇s modulus induced by texture was only around 1%. It is believed that texture should be one of the important factors influencing the residual stress and strain of CVD diamond films.展开更多
The reliability and service life of wind turbines are influenced by the complex loading applied on the hub, especially amidst a poor external wind environment. A three-point elastic support, which includes the main be...The reliability and service life of wind turbines are influenced by the complex loading applied on the hub, especially amidst a poor external wind environment. A three-point elastic support, which includes the main bearing and two torque arms, was considered in this study. Based on the flexibilities of the planet carrier and the housing, a coupled dynamic model was developed for a wind turbine drive train. Then, the dynamic behaviors of the drive train for different elastic support parameters were computed and analyzed. Frequency response functions were used to examine how different elastic support parameters influence the dynamic behaviors of the drive train. Results showed that the elastic support parameters considerably influenced the dynamic behaviors of the wind turbine drive train. A large support stiffness of the torque arms decreased the dynamic response of the planet carrier and the main bearing, whereas a large support stiffness of the main bearing decreased the dynamic response of planet carrier while increasing that of the main bearing. The findings of this study provide the foundation for optimizing the elastic support stiffness of the wind turbine drive train.展开更多
基金ACKNOWLEDGMENT This work was supported by the National Natural Science Foundation of China （No.20904047）.
文摘Elastic behaviors of protein-like chains are investigated by Pruned-Enriched-Rosenbluth method and modified orientation-dependent monomer-monomer interactions model. The protein-like chain is pulled away from the attractive surface slowly with elastic force acting on it. Strong adsorption interaction and no adsorption interaction are both considered. We calculate the characteristic ratio and shape factor of protein-like chains in the process of elongation. The conformation change of the protein-like chain is well depicted. The shape of chain changes from “rod” to “sphere” at the beginning of elongation. Then, the shape changes from “sphere” to “rod”. In the end, the shape becomes a “sphere” as the chain leaves away from the surface. In the meantime, we discuss average Helmoholtz free energy per bond, average energy per bond, average adsorbed energy per bond, average α-helical energy per bond, average β-sheet energy per bond and average contact energy per bond. On the other hand, elastic force is also studied. It is found that elastic force has a long plateau during the tensile elongation when there exists adsorption interaction. This result is consistent with SMFS experiment of general polymers. Energy contribution to elastic force and contact energy contribution to elastic force are both discussed. These investigations can provide some insights into the elastic behaviors of adsorbed protein chains.
基金Project(50478075) supported by the National Natural Science Foundation of ChinaProject(YBJJ0817) supported by Scientific Research Foundation of Graduate School of Southeast University
文摘Based on the nonlinear displacement-strain relationship,the virtual work principle method was used to establish the nonlinear equilibrium equations of steel beams with semi-rigid connections under vertical uniform loads and temperature change.Considering the non-uniform temperature distribution across the thickness of beams,the formulas for stresses and vertical displacements were presented.On the basis of a flowchart for analysis of the numerical example,the effect of temperature change on the elastic behavior of steel beams was investigated.It is found that the maximal stress is mainly influenced by axial temperature change,and the maximal vertical displacement is principally affected by temperature gradients.And the effect of temperature gradients on the maximal vertical displacement decreases with the increase of rotational stiffness of joints.Both the maximal stress and vertical displacement decrease with the increase of rotational stiffness of joints.It can be concluded that the effects of temperature changes and rotational stiffness of joints on the elastic behavior of steel beams are significant.However,the influence of rotational stiffness becomes smaller when the rotational stiffness is larger.
基金supported by the National Natural Science Foundation of China(Nos.20904047,10947104).
文摘Elastic behavior of 4-branched star polymer chain with different chain length N adsorbed on attractive surface is investigated using steered molecular dynamics （SMD） simulation method based on the united-atom （UA） model for branched alkanes. The simulation is realized by pulling up the chain via a linear spring with a constant velocity v = 0.005 nm/ps. At the beginning, the chain lies extensionally on adsorbed surface and suffers continuous deformations during the tensile process. Statistical parameters as mean-square radii of gyration 〈S2〉xy, 〈S2〉z, shape factor 〈δ〉, describing the conformational changes, sectional density 〈den〉 which gives the states of the chain, and average surface attractive energy 〈Ua〉, average total energy 〈U〉, average force 〈f〉 probed by the spring, which characterize the thermodynamic properties, are calculated in the stimulant process. Remarkably, distinguishing from the case in linear chains that there only exists one long plateau in the curve of 〈f 〉, the force plateau in our study for star chains is multiple, denoting different steps of desorption, and this agrees well with the experimental results in essence. We find during the tensile process, there are three characteristic distances Zc, Zt and Z0 from the attractive surface, and these values vary with N. When Z = Zc, the chain is stripped from the surface, but due to the form of wall-monomer interaction, the surface retains weak influence on the chain till Z = Zc. From Z = Zt, parameters 〈Ua〉, 〈U〉 and 〈f〉 respectively reach a stable value, while the shape and the size of the chain still need adjustments after Zt till Zo to reach their equilibrium states. Specifically, for short chain of N = 41, Zt and Z0 are incorporated. These results may help us to deepen the knowledge about the elastic behavior of adsorbed star polymer chains.
基金This work was supported by the National Science Fund for Distinguished Young Scholars （No.20525416）, the National Natural Science Foundation of China （No.20490220, No.20374050, and No.90403022）, and the National Basic Research Program of China （No.2005CB623800）.
文摘The elastic behavior of the polymer chain was investigated in a three-dimensional off-lattice model. We sample more than 109 conformations of each kind of polymer chain by using a Monte Carlo algorithm, then analyze them with the non-Gaussian theory of rubberlike elasticity, and end with a statistical study. Through observing the effect of the chain flexibility and the stretching ratio on the mean-square end-to-end distance, the average energy, the average Helmholtz free energy, the elastic force, the contribution of energy to the elastic force, and the entropy contribution to elastic force of the polymer chain, we find that a rigid polymer chain is much easier to stretch than a flexible polymer chain. Also, a rigid polymer chain will become difficult to stretch only at a quite high stretching ratio because of the effect of the entropy contribution. These results of our simulation calculation may explain some of the macroscopic phenomena of polymer and biomacromolecular elasticity.
文摘The objective of this study was to determine the overall thermal elastic behavior of composites by homogenization method. The results obtained were compared with those by other well-known methods such as mean field method , self-consistent method and etc. A good agreement is achieved and thus a reliable nwthod for predicting the effective behavior of composite is presented. It is very easy to extend this method to multi-phase composite. The materiol properties determined here include elastic modulus, Poisson ratio and thermal expansion coefficient （CTE）.
基金The research was financially supported by the National Natural Science Foundation of China(Nos.20174036,20274040)the Natural Science Foundation of Zhejiang Province(No.R404047).
文摘The conformational properties and elastic behaviors of protein-like single chains in the process of tensileelongation were investigated by means of Monte Carlo method.The sequences of protein-like single chains contain two typesof residues:hydrophobic(H)and hydrophilic(P).The average conformations and thermodynamics statistical properties ofprotein-like single chains with various elongation ratio λ were calculated.It was found that the mean-square end-to-enddistance<R^2>(?).increases with elongation ratio λ.The tensor eigenvalues ratio of<L_2~2>:<L_1~2>decreases with elongationratio λ for short(HP)_x protein-like polymers,however,the ratio of<L_3~2>:<L_1~2>increases with elongation ratio λ,especially for long (H)_x sequence.Average energy per bond increases with elongation ratio λ,especially for (H)_xprotein-like single chains.Helmholtz free energy per bond also increases with elongation ratio λ.Elastic force(f),energycontribution to force(f_U)and entropy contribution to force(fs)for different protein-like single chains were also calculated.These investigations may provide some insights into elastic behaviors of proteins.
文摘Transurethral ureteral lithotripsy (TUL) is a treatment that breaks stones by irradiating a pulsed laser through an optical fiber. Heat and impulsive force of the laser may affect nearby tissues during treatment. A bubble induced by the pulsed laser plays an important role in laser lithotripsy. It is important to understand effects of the bubble on the surroundings by simulating treatment in a narrow space such as in a ureter. In this study, we observe behaviors of the bubble in the narrow space inside a soft material simulating under <em>i</em><em></em><em>n vivo</em> condition. The bubble formed under various laser irradiation conditions exhibits characteristic behavior, and the surrounding elastic wall is compressed and bulged when the bubble grows and collapses. In the case of bubble formed near the elastic wall, the bubble contacts with the elastic wall during growth, and severe large deformation of the elastic wall is observed at bubble collapse. According to the temperature measurement, a temperature rise of 25<span style="white-space:nowrap;">℃</span> - 30<span style="white-space:nowrap;">℃</span> occurs in the area where the bubbles are in contact. From the above, by presenting the deformation of the elastic wall and temperature increase, we can show useful information to improve the safety for treatment at narrow space.
文摘In early winter it is usual, in cold regions, that ice features approach offshore structures, like offshore platforms, impacting them, in a slow process of constant deformation build up. Interaction follows, in many cases, up to the point where ice-failure caused by bending fracture takes place. This supposes very large contact forces that the structure has to resist. Therefore, quantification of these efforts is of vital importance to the structural design of platforms. In several designs, these platforms are constructed with inclined walls so as to cause ice to fail in a flex-compression mode. In such a case the ice feature is analyzed as a beam constituted of a linear elastic material in brittle state with constant ice thickness. The simplification renders the problem solvable in a close form. However, this hypothesis goes against field observations. Marine currents action, wind and the sequence of contacts among features lead to thickness variations. Here this factor is addressed in the construction of a model, for harmonic forms of variation of thickness profile, and the accompanying curvature variations, whose solution determines field variables used to address the failure question. Due to the deformation dependency of the loading, a numerical scheme for the two-point boundary value problem in the semi-infinite space is developed. Failure pressures are computed based on a Rankine locus of failure. Variations of the order of 20% in the failure loads, as compared to the uniform beam model, are observed.
基金ACKNOWLEDGMENTS This work was supported by the National Natural Science Foundation of China （No.20574052 and No.20774066）, the Program for New Century Excellent Talents in University （NCET-05-0538）, and the Natural Science Foundation of Zhejiang Province （No.R404047）.
文摘The elastic behavior of a single chain transporting through complex channel which can be seen as the combination of three different channels （left channel, middle channel, and right channel, respectively） is investigated using the new pruned-enriched Rosenbluth method with importance sampling. The elastic force during the translocation process is calculated. At the entrance into the middle channel, there is the first plateau in the curve of the elastic force f （f〉0） versus x, here x represents the position of the first monomer along the x-axis direction. When the first monomer moves to a certain position, a second plateau is observed with the elastic force f〈0, which represents spontaneous translocation. The free energy difference between the subchain in the right channel and the subchain in the left channel may drive the transloeation. The influence of chain length and width of the left and right channels on the translocation process are also investigated. From the simulation results, more detailed explanations for the reason why the component translocation time is not the same for different channels can be presented.
基金This work was financially supported by the National Natural Science Foundation of China (No.50372007).
文摘The relationship between texture and elastic properties of chemical vapor deposition （CVD） diamond films was analyzed based on the phenomenological theory, which reveals the influence of crystalline orientation and texture on the residual macro-strain and macro-stress. The phenomenological calculations indicated that the difference in Young＇s modulus could be 15% in single diamond crystals and 5% in diamond films with homogeneously distributed strong fiber texture. The experimentally measured residual strains of free-standing CVD diamond films were in good agreement with the correspondingly calculated Young＇s modulus in connection with the multi-fiber textures in the films, though the difference in Young＇s modulus induced by texture was only around 1%. It is believed that texture should be one of the important factors influencing the residual stress and strain of CVD diamond films.
基金The authors are grateful for the financial support given by the National Natural Science Foundation of China （Grant Nos. 51405043 and 51575060） and the Innovation Project of the City of Chongqing （Grant Nos. cstc2015zdcy-ztzx70010 and cstc2015zdcy-ztzx70012）.
文摘The reliability and service life of wind turbines are influenced by the complex loading applied on the hub, especially amidst a poor external wind environment. A three-point elastic support, which includes the main bearing and two torque arms, was considered in this study. Based on the flexibilities of the planet carrier and the housing, a coupled dynamic model was developed for a wind turbine drive train. Then, the dynamic behaviors of the drive train for different elastic support parameters were computed and analyzed. Frequency response functions were used to examine how different elastic support parameters influence the dynamic behaviors of the drive train. Results showed that the elastic support parameters considerably influenced the dynamic behaviors of the wind turbine drive train. A large support stiffness of the torque arms decreased the dynamic response of the planet carrier and the main bearing, whereas a large support stiffness of the main bearing decreased the dynamic response of planet carrier while increasing that of the main bearing. The findings of this study provide the foundation for optimizing the elastic support stiffness of the wind turbine drive train.
