The numerical control (NC) precision bending process of thin-walled tube is on e of advanced plastic forming processes with high efficiency, forming precision, strength/weight ratio and low cost, thus it is playing mo...The numerical control (NC) precision bending process of thin-walled tube is on e of advanced plastic forming processes with high efficiency, forming precision, strength/weight ratio and low cost, thus it is playing more and more important role in manufacturing parts in aerospace and automobile industries. However, the determination of parameters crucial to make sure tube parts qualified is heavil y experience-based and involves repeated trial-and-errors in practice, which makes the production efficiency reduce drastically and does not fulfill the deve lopment of high technology. With quick development of computer technology and gr adual perfect of plastic forming theory, computer numerical simulation based on finite element method (FEM) has become one of important tools of researching and developing plastic forming technology. Development trend of NC precision bendin g process of tube is simulating its forming process by FEM. Because NC tube bend ing is of 3D nature, it is of great importance to analyze the forming mechanism and find out the influence law of forming parameters on forming process in the N C precision bending process of thin-walled tube quantitatively by 3D FE simulat ion. Based on the rigid-plastic finite element method (FEM) principle, a 3-dimens ional (3D) rigid-plastic FE simulation system named TBS -3D (tube bending simu lation by 3D FEM) for the NC bending process of thin-walled tube has been devel oped, a reasonable FEM model has been established. By use of this FEM simulation system, a NC bending process of thin-walled has been simulated. And deformed m eshes under different bending stages, stress distribution along bending directio n, relationship between maximal wall thickness changing ratio and bending angle have been obtained. And then some forming laws of NC tube bending obtained are a s follows: (1) NC bending process make tube elongate to some extent; (2) Charact eristic of stress distribution is that the outer area is undergoing tensile stre ss, the inner area is undergoing compression stress, and stress neutral layer mo ves close to the inner area, which is in good accordance with the practice; (3) Maximal wall thinning ratio in the outer tensile area changes only a little with increase of bending angle, and maximal wall thickening ratio in the inner compr ession area increases linearly with bending angle. The above results show that 3 D FE simulation is an important and valid tool of analyzing NC bending process o f tube, this research is beneficial for the practical tube bending process, and it may serve as a significant guide to the practice of the relevant processes.展开更多
Internal ballistic simulation(IBS)method of multi-burning-rate solid rocket motor(SRM)was developed based on 3-D burning regression method by parameterized feature CAD model(PFCADM)and lumped parameter,in consideratio...Internal ballistic simulation(IBS)method of multi-burning-rate solid rocket motor(SRM)was developed based on 3-D burning regression method by parameterized feature CAD model(PFCADM)and lumped parameter,in consideration of time-dependent,erosive-burning-effect from internal ballistic numerical algorithm.By driving multi-parameter CAD model based on PFCADM,the approach is capable of conducting the geometric regression simulation of various grain combinations of complex configurations with different burning rates.Through suitably simplifying the internal ballistic numerical algorithm,the problems of coupling geometric regression simulation of sub-grains of different burning rates and high computational consumption of internal ballistic calculation were solved.One tri-burning-rate grain motor,which had been firing-tested,was used as the validation case of simulation.The results show that,with the 3-D grain regression model and sufficient accurate internal ballistic algorithm,the method realizes IBS of the case in low computationalconsumption prediction of its performance within the accuracy of 2% during 1hclock-time.The application of the method provides a practical approach to aid SRM design of multi-burning-rate grain.展开更多
The humic acid（HA） sample obtained from the alluvial soil was characterized by elemental composition, pyrolysis gas chromatography-mass spectrometry（Py-GC-MS） and solid-state 13C nuclear magnetic resonance （13C ...The humic acid（HA） sample obtained from the alluvial soil was characterized by elemental composition, pyrolysis gas chromatography-mass spectrometry（Py-GC-MS） and solid-state 13C nuclear magnetic resonance （13C NMR） spectroscopy. There is high fat content and a few nitrogen-containing functional groups in HA. Py-GC-MS demonstrates the characterization and structural identification of HA. One long list of identified pyrolysis products was proposed for the construction of conceptual model of HA. Solid-state 13C NMR data indicate there are higher values of alkyl-C, O-alkyl-C and aryl-C in HA. The elemental composition, structural carbon distribution and L3C NMR spectroscopy of simulated HA are consistent with those of experimental HA. HyperChem was used to simulate the three-dimensional molecular structure of the monomer, which was optimized by the molecular mechanics of the optimized potential for liquid simulations（OPLS） force field and molecular dynamics simulation to get the stable and balanced conformation. The deprotonation process study depicts that the degree of ionization of HA gets deeper, while the electronegativity of HA and the energy of van der Waals（vdW） increase. Moreover, the 3D structure of humic acid with -4 charges is the most stable. The deprotonation process is an endothermic process.展开更多
It has been found recently that an ultrasmall nanoparticle whose size is smaller than the thickness of a cell membrane has unique roles in biomedical applications including the development of next generation of drugs ...It has been found recently that an ultrasmall nanoparticle whose size is smaller than the thickness of a cell membrane has unique roles in biomedical applications including the development of next generation of drugs or advanced nanoscale cargo carriers.However,the effect of physical properties of an ultrasmall nanoparticle on its adhesion to a bilayer membrane,which is a key step for Nano-Bio interaction as well as the biomedical applications,is still largely unknown.By using molecular dynamics,we find that both size and shape of an ultrasmall nanoparticle strongly affect its adhesion states on a bilayer membrane(e.g.,adhesion,separation or entwined by polymer chains).Interestingly,our simulations show that with decreasing particle size,the effect of particle shape becomes even more evident for the adhesion behavior.It is indicated that the competition between nanoparticle-polymer binding and polymer chain deformation,both of which are influenced by particle size and shape,determines the final adhesion states of an ultrasmall nanoparticle.Our results are helpful for the full understanding of interaction mechanism between nanoparticles and cell membranes and the practical applications of such ultrasmall nanoparticles.展开更多
A generic coarse-grained bead-and-spring model,mapped onto comb-shaped polycarboxylate-based(PCE)superplasticizers,is developed and studied by Langevin molecular dynamics simulations with implicit solvent and explicit...A generic coarse-grained bead-and-spring model,mapped onto comb-shaped polycarboxylate-based(PCE)superplasticizers,is developed and studied by Langevin molecular dynamics simulations with implicit solvent and explicit counterions.The agreement on the radius of gyration of the PCEs with experiments shows that our model can be useful in studying the equilibrium sizes of PCEs in solution.The effects of ionic strength,side-chain number,and side-chain length on the conformational behavior of PCEs in solution are explored.Single-chain equilibrium properties,including the radius of gyration,end-to-end distance and persistenee length of the polymer backbone,shape-asphericity parameter,and the mean span dimension,are determined.It is found that with the increase of ionic strength,the equilibrium sizes of the polymers decrease only slightly,and a linear dependenew of the persistence length of backbone on the Debye screening length is found,in good agreement with the theory developed by Dobrynin.Increasing side-chain numbers and/or side-chain lengths increases not only the equilibrium sizes(radius of gyration and mean span)of the polymer as a whole,but also the persistence length of the backbone due to excluded volume interactions.展开更多
文摘The numerical control (NC) precision bending process of thin-walled tube is on e of advanced plastic forming processes with high efficiency, forming precision, strength/weight ratio and low cost, thus it is playing more and more important role in manufacturing parts in aerospace and automobile industries. However, the determination of parameters crucial to make sure tube parts qualified is heavil y experience-based and involves repeated trial-and-errors in practice, which makes the production efficiency reduce drastically and does not fulfill the deve lopment of high technology. With quick development of computer technology and gr adual perfect of plastic forming theory, computer numerical simulation based on finite element method (FEM) has become one of important tools of researching and developing plastic forming technology. Development trend of NC precision bendin g process of tube is simulating its forming process by FEM. Because NC tube bend ing is of 3D nature, it is of great importance to analyze the forming mechanism and find out the influence law of forming parameters on forming process in the N C precision bending process of thin-walled tube quantitatively by 3D FE simulat ion. Based on the rigid-plastic finite element method (FEM) principle, a 3-dimens ional (3D) rigid-plastic FE simulation system named TBS -3D (tube bending simu lation by 3D FEM) for the NC bending process of thin-walled tube has been devel oped, a reasonable FEM model has been established. By use of this FEM simulation system, a NC bending process of thin-walled has been simulated. And deformed m eshes under different bending stages, stress distribution along bending directio n, relationship between maximal wall thickness changing ratio and bending angle have been obtained. And then some forming laws of NC tube bending obtained are a s follows: (1) NC bending process make tube elongate to some extent; (2) Charact eristic of stress distribution is that the outer area is undergoing tensile stre ss, the inner area is undergoing compression stress, and stress neutral layer mo ves close to the inner area, which is in good accordance with the practice; (3) Maximal wall thinning ratio in the outer tensile area changes only a little with increase of bending angle, and maximal wall thickening ratio in the inner compr ession area increases linearly with bending angle. The above results show that 3 D FE simulation is an important and valid tool of analyzing NC bending process o f tube, this research is beneficial for the practical tube bending process, and it may serve as a significant guide to the practice of the relevant processes.
文摘Internal ballistic simulation(IBS)method of multi-burning-rate solid rocket motor(SRM)was developed based on 3-D burning regression method by parameterized feature CAD model(PFCADM)and lumped parameter,in consideration of time-dependent,erosive-burning-effect from internal ballistic numerical algorithm.By driving multi-parameter CAD model based on PFCADM,the approach is capable of conducting the geometric regression simulation of various grain combinations of complex configurations with different burning rates.Through suitably simplifying the internal ballistic numerical algorithm,the problems of coupling geometric regression simulation of sub-grains of different burning rates and high computational consumption of internal ballistic calculation were solved.One tri-burning-rate grain motor,which had been firing-tested,was used as the validation case of simulation.The results show that,with the 3-D grain regression model and sufficient accurate internal ballistic algorithm,the method realizes IBS of the case in low computationalconsumption prediction of its performance within the accuracy of 2% during 1hclock-time.The application of the method provides a practical approach to aid SRM design of multi-burning-rate grain.
基金the National Natural Science Foundation of China
文摘The humic acid（HA） sample obtained from the alluvial soil was characterized by elemental composition, pyrolysis gas chromatography-mass spectrometry（Py-GC-MS） and solid-state 13C nuclear magnetic resonance （13C NMR） spectroscopy. There is high fat content and a few nitrogen-containing functional groups in HA. Py-GC-MS demonstrates the characterization and structural identification of HA. One long list of identified pyrolysis products was proposed for the construction of conceptual model of HA. Solid-state 13C NMR data indicate there are higher values of alkyl-C, O-alkyl-C and aryl-C in HA. The elemental composition, structural carbon distribution and L3C NMR spectroscopy of simulated HA are consistent with those of experimental HA. HyperChem was used to simulate the three-dimensional molecular structure of the monomer, which was optimized by the molecular mechanics of the optimized potential for liquid simulations（OPLS） force field and molecular dynamics simulation to get the stable and balanced conformation. The deprotonation process study depicts that the degree of ionization of HA gets deeper, while the electronegativity of HA and the energy of van der Waals（vdW） increase. Moreover, the 3D structure of humic acid with -4 charges is the most stable. The deprotonation process is an endothermic process.
基金the financial support of the project from the National Basic Research Program of China(No.2012CB821500)the National Natural Science Foundation of China(Nos.91027040,31061160496,21374074,11104192 and 21106114)the support of the Natural Science Foundation of Jiangsu Province of China(Nos.BK20131194 and BK2012177)
文摘It has been found recently that an ultrasmall nanoparticle whose size is smaller than the thickness of a cell membrane has unique roles in biomedical applications including the development of next generation of drugs or advanced nanoscale cargo carriers.However,the effect of physical properties of an ultrasmall nanoparticle on its adhesion to a bilayer membrane,which is a key step for Nano-Bio interaction as well as the biomedical applications,is still largely unknown.By using molecular dynamics,we find that both size and shape of an ultrasmall nanoparticle strongly affect its adhesion states on a bilayer membrane(e.g.,adhesion,separation or entwined by polymer chains).Interestingly,our simulations show that with decreasing particle size,the effect of particle shape becomes even more evident for the adhesion behavior.It is indicated that the competition between nanoparticle-polymer binding and polymer chain deformation,both of which are influenced by particle size and shape,determines the final adhesion states of an ultrasmall nanoparticle.Our results are helpful for the full understanding of interaction mechanism between nanoparticles and cell membranes and the practical applications of such ultrasmall nanoparticles.
文摘A generic coarse-grained bead-and-spring model,mapped onto comb-shaped polycarboxylate-based(PCE)superplasticizers,is developed and studied by Langevin molecular dynamics simulations with implicit solvent and explicit counterions.The agreement on the radius of gyration of the PCEs with experiments shows that our model can be useful in studying the equilibrium sizes of PCEs in solution.The effects of ionic strength,side-chain number,and side-chain length on the conformational behavior of PCEs in solution are explored.Single-chain equilibrium properties,including the radius of gyration,end-to-end distance and persistenee length of the polymer backbone,shape-asphericity parameter,and the mean span dimension,are determined.It is found that with the increase of ionic strength,the equilibrium sizes of the polymers decrease only slightly,and a linear dependenew of the persistence length of backbone on the Debye screening length is found,in good agreement with the theory developed by Dobrynin.Increasing side-chain numbers and/or side-chain lengths increases not only the equilibrium sizes(radius of gyration and mean span)of the polymer as a whole,but also the persistence length of the backbone due to excluded volume interactions.
