A nickel-diimine catalyst [N, N'-bis(2,6-diisopropylphenyl)-1,4-diaza-2,3-dimethyl-1, 3-butadiene nickel dibromide, DMN] was supported on palygorskite clay for ethylene slurry polymerization. The effect of support...A nickel-diimine catalyst [N, N'-bis(2,6-diisopropylphenyl)-1,4-diaza-2,3-dimethyl-1, 3-butadiene nickel dibromide, DMN] was supported on palygorskite clay for ethylene slurry polymerization. The effect of supporting methods on the catalyst impregnation was studied and compared. Pretreatment of the support with methylalumi-noxane (MAO) followed by DMN impregnation gave higher catalyst loading and catalytic activity than the direct impregnation of DMN. Catalyst activity as high as 5.42×105g PE·molNi-1·h-1 was achieved at ethylene pressure of 6.87×105 Pa and polymerization temperature of 20℃. In particular, the morphological change of the support during MAO treatment was characterized and analyzed. It was found that nano-fiber clusters formed during the support pretreatment, which increased the surface area of the support and favored the impregnation of the catalyst. The investigation of polymerization behavior of supported catalyst revealed that the polymerization rate could be kept at a relatively high level for a long time, different from the homogeneous catalyst. By analyzing the SEM photographs of the polymer produced by the supported catalyst, the morphological evolution of polymer particles was preliminarily studied.展开更多
HZSM-5 coating using three colloidal silica binders, acidic colloidal silica (ACS), neutral colloidal silica (NCS) and basic colloidal silica (BCS), was prepared to study the effect of hinders on their adhesion ...HZSM-5 coating using three colloidal silica binders, acidic colloidal silica (ACS), neutral colloidal silica (NCS) and basic colloidal silica (BCS), was prepared to study the effect of hinders on their adhesion and catalytic activity. Scanning electron microscopy characterization indicated that the zeolite coating using BCS shows the smoothest surface with higher homogeneity and adherence strength. The specific surface area, relative crystallization and acid site strength of zeolites are also dependent on the binder used. Catalytic cracking of supercritical n- dodecane over the series of zeolite coating with various binders indicated that HZSM-5 coating with BCS exhibits the highest and the most stable catalytic activity compared with other kinds of binders, and also exhibits a stable catalytic activity ascribed to its proper acid property and microstructure.展开更多
A new type of drainage channel with an energy dissipation structure has been proposed based on previous engineering experiences and practical requirements for hazard mitigation in earthquakeaffected areas.Experimental...A new type of drainage channel with an energy dissipation structure has been proposed based on previous engineering experiences and practical requirements for hazard mitigation in earthquakeaffected areas.Experimental studies were performed to determine the characteristics of viscous debris flow in a drainage channel of this type with a slope of 15%.The velocity and depth of the viscous debris flow were measured,processed,and subsequently used to characterize the viscous debris flow in the drainage channel.Observations of this experiment showed that the surface of the viscous debris flow in a smooth drainage channel was smoother than that of a similar debris flow passing through the energy dissipation section in a channel of the new type studied here.However,the flow patterns in the two types of channels were similar at other points.These experimental results show that the depth of the viscous debris flow downstream of the energy dissipation structure increased gradually with the length of the energy dissipation structure.In addition,in the smooth channel,the viscous debris-flow velocity downstream of the energy dissipation structure decreased gradually with the length of the energy dissipation structure.Furthermore,theviscous debris-flow depth and velocity were slightly affected by variations in the width of the energy dissipation structure when the channel slope was 15%.Finally,the energy dissipation ratio increased gradually as the length and width of the energy dissipation structure increased;the maximum energy dissipation ratio observed was 62.9%(where B = 0.6m and L/w = 6.0).展开更多
By means of HAAKE RS105L cone and plate rheometer the concentrated solution, including viscous flow activation energy, non-Newtonian index, structural viscosity index and relaxation time of the PMIA solution were stud...By means of HAAKE RS105L cone and plate rheometer the concentrated solution, including viscous flow activation energy, non-Newtonian index, structural viscosity index and relaxation time of the PMIA solution were studied. The effect of concentration and temperature of the solution and molecular weight of the polymer on its non-Newtonian behavior was investigated. The results showed that PMIA concentrated solution prepared via low temperature condensation was of non-Newtonian fluid. With the decrease of temperature, increase of solution concentration and PMIA molecular weight, the deviation of the solution from Newtonian behavior decreased. The molecular weight of the polymer and the concentration of the solution affected the non- Newtonian behavior mete intensively.展开更多
The transport properties of ionic liquids(ILs) are crucial properties in view of their applications in electrochemical devices. One of the most important advantages of ILs is that their chemical–physical properties a...The transport properties of ionic liquids(ILs) are crucial properties in view of their applications in electrochemical devices. One of the most important advantages of ILs is that their chemical–physical properties and consequently their bulk performances can be well tuned by optimizing the chemical structures of their ions. This will require elucidating the structural features of the ions that fundamentally determine the characteristics of the nanostructures and the viscosities of ILs. Here we showed for the first time that the "rigidity", the order,and the compactness of the three-dimensional ionic networks generated by the anions and the cation head groups determine the formation and the sizes of the nanostructures in the apolar domains of ILs. We also found that the properties of ionic networks are governed by the conformational flexibility and the symmetry of the anion and/or the cation head group. The thermal stability of the nanostructures of ILs was shown to be controlled by the sensitivity of the conformational equilibrium of the anion to the change of temperature. We showed that the viscosity of ILs is strongly related to the symmetry and the flexibility of the constitute ions rather than to the size of the nanostructures of ILs. Therefore, the characteristics of the nanostructures and the viscosities of ILs, especially the thermal stability of the nanostructures, can be fine-tuned by tailoring the symmetry and the conformational flexibility of the anion.展开更多
The electronic structures,chemical bonding,elastic and optical properties of the novel hP24 phase WB3 were investigated by using density-functional theory(DFT) within generalized gradient approximation(GGA).The calcul...The electronic structures,chemical bonding,elastic and optical properties of the novel hP24 phase WB3 were investigated by using density-functional theory(DFT) within generalized gradient approximation(GGA).The calculated energy band structures show that the hP24 phase WB3 is metallic material.The density of state(DOS) and the partial density of state(PDOS) calculations show that the DOS near the Fermi level is mainly from the W 5d and B 2p states.Population analysis suggests that the chemical bonding in hP24-WB3 has predominantly covalent characteristics with mixed covalent-ionic characteristics.Basic physical properties,such as lattice constant,bulk modulus,shear modulus and elastic constants Cij were calculated.The elastic modulus E and Poisson ratio υ were also predicted.The results show that hP24-WB3 phase is mechanically stable and behaves in a brittle manner.Detailed analysis of all optical functions reveals that WB3 is a better dielectric material,and reflectivity spectra show that WB3 can be promised as good coating material in the energy regions of 8.5-11.4 eV and 14.5-15.5 eV.展开更多
Based on the characteristics of sea ice drifting and ridging at meso-small scale, the Drucker-Prager (D-P) yield criteria was introduced into the Viscoelastic-Plastic (VEP) constitutive model for the study of sea ...Based on the characteristics of sea ice drifting and ridging at meso-small scale, the Drucker-Prager (D-P) yield criteria was introduced into the Viscoelastic-Plastic (VEP) constitutive model for the study of sea ice dynamics. In this model, the Kelvin-Vogit viscoelastic model was adopted in the elastic stage, and the associated normal flow rule was used in the plastic stage. Using the VEP model, the sea ice ridging process was simulated in an idealized rectangular basin, and the simulation results show that the simulated ice ridge thickness is consistent with the analytical solution. Moreover, the VEP model with the D-P yield criteria was also applied for the sea ice simulation of Bohai Sea, and the ice thickness, concentration, velocity, and ice stress were obtained in 48 h. The simulated thickness distributions agree well with the satellite images. The singular problem in the Mohr^7oulomb (M-C) yield criteria was overcome by the D-P yield criteria, and the computational efficiency was also improved. In the numerical simulations described above, the smoothed particle hydrodynamics was applied.展开更多
The influences of time on clays are discussed first,and the concept of the instant normal compression line is proposed by analyzing the existing theories and experimental results.Based on the creep law,the relationshi...The influences of time on clays are discussed first,and the concept of the instant normal compression line is proposed by analyzing the existing theories and experimental results.Based on the creep law,the relationship between the aging time and the overconsolidation parameter is built.With the reloading equation of the UH model(unified hardening model for overconsolidated clays) used to calculate the instant compression deformation,a one-dimensional stress-strain-time relationship is proposed.Furthermore,the evolution of this relationship is analyzed,and the characteristic rate that is a function of the overconsolidation parameter is defined.Then a three-dimensional elastic-viscous-plastic constitutive model is suggested by incorporating equivalent time into the current yield function of the UH model.The new model can describe not only creep,rate effect and other viscous phenomena,but also shear dilatancy,strain softening and other behaviors of overconsolidated clays.Besides,compared with the modified Cam-clay model it requires only one additional parameter(the coefficient of secondary compression) to consider the creep law.Finally,because the proposed model can be changed into the UH model under instantaneous loading,the elastic-plastic and elastic-viscous-plastic frameworks are unified.展开更多
In this paper,a primary model is established for MD(molecular dynamics) simulation for the PBXs(polymer-bonded explosives) with RDX(cyclotrimethylene trinitramine) as base explosive and PS as polymer binder.A series o...In this paper,a primary model is established for MD(molecular dynamics) simulation for the PBXs(polymer-bonded explosives) with RDX(cyclotrimethylene trinitramine) as base explosive and PS as polymer binder.A series of results from the MD simulation are compared between two PBX models,which are represented by PBX1 and PBX2,respectively,including one PS molecular chain having 46 repeating units and two PS molecular chains with each having 23 repeating units.It has been found that their structural,interaction energy and mechanical properties are basically consistent between the two models.A systematic MD study for the PBX2 is performed under NPT conditions at five different temperatures,i.e.,195 K,245 K,295 K,345 K,and 395 K.We have found that with the temperature increase,the maximum bond length(L max) of RDX N N trigger bond increases,and the interaction energy(E N-N) between two N atoms of the N-N trigger bond and the cohesive energy density(CED) decrease.These phenomena agree with the experimental fact that the PBX becomes more sensitive as the temperature increases.Therefore,we propose to use the maximum bond length L max of the trigger bond of the easily decomposed and exploded component and the interaction energy E N-N of the two relevant atoms as theoretical criteria to judge or predict the relative degree of heat and impact sensitivity for the energetic composites such as PBXs and solid propellants.展开更多
Tuning microstructures by adding nanoparticles is a promising way of improving the performance of cementitious composites.In this study,nanoclay was introduced to polyvinyl alcohol(PVA)fiber reinforced ultra high toug...Tuning microstructures by adding nanoparticles is a promising way of improving the performance of cementitious composites.In this study,nanoclay was introduced to polyvinyl alcohol(PVA)fiber reinforced ultra high toughness cementitious composites(UHTCCs).The mechanical properties,crack patterns,water permeation resistance,and microstructures of UHTCCs with different dosages of nanoclay were studied.The addition of a proper dosage of nanoclay shows few effects on the compressive strength of UHTCCs,however,the compressive strength is decreased when an excessive amount of nanoclay is added.The flexural deformation capacity of UHTCCs is independent of nanoclay dosage,whereas the flexural strength generally decreases with an increasing dosage of nanoclay.Different cracking patterns were observed in the ultra high toughness cementitious composites containing nanoclay(NC-UHTCC)specimens subject to bending tests.A UHTCC with 1%(in weight)nanoclay shows the best water permeation resistance and the lowest water permeability.Variations in the mechanical properties and the water permeation resistance of UHTCCs containing different dosages of nanoclay could be ascribed to the synthetic effects of filling and heterogeneous nucleation of nanoclay at low dosages and the agglomeration effect of nanoclay at high dosages.This study is to optimize the water permeation resistance of UHTCCs,paving a path for the future application of UHTCCs in the fields of construction,decoration,and repair.展开更多
A sandwich beam model consisting of two face sheets and a foam core bonded by a viscoelastic adhesive layer is considered in order to investigate interfacial fracture behavior. Firstly, a cohesive zone model in conjun...A sandwich beam model consisting of two face sheets and a foam core bonded by a viscoelastic adhesive layer is considered in order to investigate interfacial fracture behavior. Firstly, a cohesive zone model in conjunction with a Maxwell element in parallel, or with a Kelvin element in series, respectively, is employed to describe the characteristics of viscoelasticity for the adhesive layer. The models can be implemented into the implicit finite element code. Next, the parametric study shows that the in- fluences of loading rates on the cohesive zone energy and strength are quite different for different models. Finally, a sandwich double cantilever beam model is adopted to simulate the interface crack growth between the face sheet and core. Numerical examples are presented for various loading rates to demonstrate the efficacy of the rate-dependent cohesive models.展开更多
Separation of trivalent lanthanides (Ln(Ⅲ)) and actinides (An(Ⅲ)) is a key issue in the advanced spent nuclear fuel repro- cessing. In the well-known trivalent actinide lanthanide separation by phosphorus re...Separation of trivalent lanthanides (Ln(Ⅲ)) and actinides (An(Ⅲ)) is a key issue in the advanced spent nuclear fuel repro- cessing. In the well-known trivalent actinide lanthanide separation by phosphorus reagent extraction from aqueous komplexes (TALSPEAK) process, the organophosphorus ligand HDEHP (di-(2-ethylhexyl) phosphoric acid) has been used as an efficient reagent for the partitioning of Ln(Ⅲ) from An(Ⅲ) with the combination of a holdback reagent in aqueous lactate buffer solu- tion. In this work, the structural and electronic properties of Eu3+ and Am3+ complexes with HDEHP in nitric acid solution have been systematically explored by using scalar-relativistic density functional theory (DFT). It was found that HDEHP can coordinate with M(Ⅲ) (M=Eu, Am) cations in the form of hydrogen-bonded dimers HL2 (L=DEHP), and the metal ions pre- fer to coordinate with the phosphoryl oxygen atom of the ligand. For all the extraction complexes, the metal-ligand bonds are mainly ionic in nature. Although Eu(Ⅲ) complexes have higher interaction energies, the HL2- dimer shows comparable affini- ty for Eu(Ⅲ) and Am(Ⅲ) according to thermodynamic analysis, nonahydrate. It is expected that this work could provide insightful HDEHP at the molecular level. which may be attributed to the higher stabilities of Eu(Ⅲ) information on the complexation of An(Ⅲ) and Ln(Ⅲ) with展开更多
Based on the concept of melt residual bonds, a calculating model quantitatively describing the evolution of the residual bond structure of titanium melt at the melting point or in a certain range above the melting poi...Based on the concept of melt residual bonds, a calculating model quantitatively describing the evolution of the residual bond structure of titanium melt at the melting point or in a certain range above the melting point was established; i.e., both the size ds and the bond number n of the residual bond structure decrease monotonously with the increase of temperature. By mathe- matical deduction, a linear relationship between the residual bond structure size ds and the dynamic viscosity 17 of Titanium melt was revealed, i.e., η= 0.876 + 0.471·ds, which is of great significance to the investigation of the relationship between the melt microstructure and the macroscopic properties of metals with high melting temperature.展开更多
基金Supported by the National Natural Science Foundation of China (No. 20376069).
文摘A nickel-diimine catalyst [N, N'-bis(2,6-diisopropylphenyl)-1,4-diaza-2,3-dimethyl-1, 3-butadiene nickel dibromide, DMN] was supported on palygorskite clay for ethylene slurry polymerization. The effect of supporting methods on the catalyst impregnation was studied and compared. Pretreatment of the support with methylalumi-noxane (MAO) followed by DMN impregnation gave higher catalyst loading and catalytic activity than the direct impregnation of DMN. Catalyst activity as high as 5.42×105g PE·molNi-1·h-1 was achieved at ethylene pressure of 6.87×105 Pa and polymerization temperature of 20℃. In particular, the morphological change of the support during MAO treatment was characterized and analyzed. It was found that nano-fiber clusters formed during the support pretreatment, which increased the surface area of the support and favored the impregnation of the catalyst. The investigation of polymerization behavior of supported catalyst revealed that the polymerization rate could be kept at a relatively high level for a long time, different from the homogeneous catalyst. By analyzing the SEM photographs of the polymer produced by the supported catalyst, the morphological evolution of polymer particles was preliminarily studied.
基金Supported by the National Natural Science Foundation of China(91116001)
文摘HZSM-5 coating using three colloidal silica binders, acidic colloidal silica (ACS), neutral colloidal silica (NCS) and basic colloidal silica (BCS), was prepared to study the effect of hinders on their adhesion and catalytic activity. Scanning electron microscopy characterization indicated that the zeolite coating using BCS shows the smoothest surface with higher homogeneity and adherence strength. The specific surface area, relative crystallization and acid site strength of zeolites are also dependent on the binder used. Catalytic cracking of supercritical n- dodecane over the series of zeolite coating with various binders indicated that HZSM-5 coating with BCS exhibits the highest and the most stable catalytic activity compared with other kinds of binders, and also exhibits a stable catalytic activity ascribed to its proper acid property and microstructure.
基金supported by the Key Deployment Project of Chinese Academy of Sciences (Grant No.KZZD-EW-05-01)the National Natural Science Foundation of China (Grant No.41302283)the West Light Foundation of Chinese Academy of Sciences
文摘A new type of drainage channel with an energy dissipation structure has been proposed based on previous engineering experiences and practical requirements for hazard mitigation in earthquakeaffected areas.Experimental studies were performed to determine the characteristics of viscous debris flow in a drainage channel of this type with a slope of 15%.The velocity and depth of the viscous debris flow were measured,processed,and subsequently used to characterize the viscous debris flow in the drainage channel.Observations of this experiment showed that the surface of the viscous debris flow in a smooth drainage channel was smoother than that of a similar debris flow passing through the energy dissipation section in a channel of the new type studied here.However,the flow patterns in the two types of channels were similar at other points.These experimental results show that the depth of the viscous debris flow downstream of the energy dissipation structure increased gradually with the length of the energy dissipation structure.In addition,in the smooth channel,the viscous debris-flow velocity downstream of the energy dissipation structure decreased gradually with the length of the energy dissipation structure.Furthermore,theviscous debris-flow depth and velocity were slightly affected by variations in the width of the energy dissipation structure when the channel slope was 15%.Finally,the energy dissipation ratio increased gradually as the length and width of the energy dissipation structure increased;the maximum energy dissipation ratio observed was 62.9%(where B = 0.6m and L/w = 6.0).
文摘By means of HAAKE RS105L cone and plate rheometer the concentrated solution, including viscous flow activation energy, non-Newtonian index, structural viscosity index and relaxation time of the PMIA solution were studied. The effect of concentration and temperature of the solution and molecular weight of the polymer on its non-Newtonian behavior was investigated. The results showed that PMIA concentrated solution prepared via low temperature condensation was of non-Newtonian fluid. With the decrease of temperature, increase of solution concentration and PMIA molecular weight, the deviation of the solution from Newtonian behavior decreased. The molecular weight of the polymer and the concentration of the solution affected the non- Newtonian behavior mete intensively.
基金Supported by the National Natural Science Foundation of China(21076224,21276271)the Science Foundation of China University of Petroleum,Beijing(qzdx-2011-01)
文摘The transport properties of ionic liquids(ILs) are crucial properties in view of their applications in electrochemical devices. One of the most important advantages of ILs is that their chemical–physical properties and consequently their bulk performances can be well tuned by optimizing the chemical structures of their ions. This will require elucidating the structural features of the ions that fundamentally determine the characteristics of the nanostructures and the viscosities of ILs. Here we showed for the first time that the "rigidity", the order,and the compactness of the three-dimensional ionic networks generated by the anions and the cation head groups determine the formation and the sizes of the nanostructures in the apolar domains of ILs. We also found that the properties of ionic networks are governed by the conformational flexibility and the symmetry of the anion and/or the cation head group. The thermal stability of the nanostructures of ILs was shown to be controlled by the sensitivity of the conformational equilibrium of the anion to the change of temperature. We showed that the viscosity of ILs is strongly related to the symmetry and the flexibility of the constitute ions rather than to the size of the nanostructures of ILs. Therefore, the characteristics of the nanostructures and the viscosities of ILs, especially the thermal stability of the nanostructures, can be fine-tuned by tailoring the symmetry and the conformational flexibility of the anion.
基金Project(11271121)supported by the National Natural Science Foundation of ChinaProject(11JJ2002)supported by the Natural Science Foundation of Hunan Province,China+1 种基金Project(11K038)supported by Key Laboratory of Computational and Stochastic Mathematics of Ministry of Education of ChinaProject(2013GK3130)supported by the Scientific and Technological Plan of Hunan Province,China
文摘The electronic structures,chemical bonding,elastic and optical properties of the novel hP24 phase WB3 were investigated by using density-functional theory(DFT) within generalized gradient approximation(GGA).The calculated energy band structures show that the hP24 phase WB3 is metallic material.The density of state(DOS) and the partial density of state(PDOS) calculations show that the DOS near the Fermi level is mainly from the W 5d and B 2p states.Population analysis suggests that the chemical bonding in hP24-WB3 has predominantly covalent characteristics with mixed covalent-ionic characteristics.Basic physical properties,such as lattice constant,bulk modulus,shear modulus and elastic constants Cij were calculated.The elastic modulus E and Poisson ratio υ were also predicted.The results show that hP24-WB3 phase is mechanically stable and behaves in a brittle manner.Detailed analysis of all optical functions reveals that WB3 is a better dielectric material,and reflectivity spectra show that WB3 can be promised as good coating material in the energy regions of 8.5-11.4 eV and 14.5-15.5 eV.
基金Project supported by the National Natural Science Foundation of China (Grant No: 40206004)
文摘Based on the characteristics of sea ice drifting and ridging at meso-small scale, the Drucker-Prager (D-P) yield criteria was introduced into the Viscoelastic-Plastic (VEP) constitutive model for the study of sea ice dynamics. In this model, the Kelvin-Vogit viscoelastic model was adopted in the elastic stage, and the associated normal flow rule was used in the plastic stage. Using the VEP model, the sea ice ridging process was simulated in an idealized rectangular basin, and the simulation results show that the simulated ice ridge thickness is consistent with the analytical solution. Moreover, the VEP model with the D-P yield criteria was also applied for the sea ice simulation of Bohai Sea, and the ice thickness, concentration, velocity, and ice stress were obtained in 48 h. The simulated thickness distributions agree well with the satellite images. The singular problem in the Mohr^7oulomb (M-C) yield criteria was overcome by the D-P yield criteria, and the computational efficiency was also improved. In the numerical simulations described above, the smoothed particle hydrodynamics was applied.
基金supported by the National Natural Science Foundation of China (Grant Nos. 51179003,11072016,11272031)the Specialized Research Fund for the Doctoral Program of Higher Education (Grant No.20091102110030)
文摘The influences of time on clays are discussed first,and the concept of the instant normal compression line is proposed by analyzing the existing theories and experimental results.Based on the creep law,the relationship between the aging time and the overconsolidation parameter is built.With the reloading equation of the UH model(unified hardening model for overconsolidated clays) used to calculate the instant compression deformation,a one-dimensional stress-strain-time relationship is proposed.Furthermore,the evolution of this relationship is analyzed,and the characteristic rate that is a function of the overconsolidation parameter is defined.Then a three-dimensional elastic-viscous-plastic constitutive model is suggested by incorporating equivalent time into the current yield function of the UH model.The new model can describe not only creep,rate effect and other viscous phenomena,but also shear dilatancy,strain softening and other behaviors of overconsolidated clays.Besides,compared with the modified Cam-clay model it requires only one additional parameter(the coefficient of secondary compression) to consider the creep law.Finally,because the proposed model can be changed into the UH model under instantaneous loading,the elastic-plastic and elastic-viscous-plastic frameworks are unified.
基金supported by the National Key Laboratory of Shock Wave and Detonation Physics,Institute of Fluid Physics,China Academy of Engineering Physics(076100-1197F)the Defence Industrial Technology Development Program(B1520110002)the State Key Laboratory of Explosion Science and Technology,Beijing Institute of Technology(KFJJ09-5)
文摘In this paper,a primary model is established for MD(molecular dynamics) simulation for the PBXs(polymer-bonded explosives) with RDX(cyclotrimethylene trinitramine) as base explosive and PS as polymer binder.A series of results from the MD simulation are compared between two PBX models,which are represented by PBX1 and PBX2,respectively,including one PS molecular chain having 46 repeating units and two PS molecular chains with each having 23 repeating units.It has been found that their structural,interaction energy and mechanical properties are basically consistent between the two models.A systematic MD study for the PBX2 is performed under NPT conditions at five different temperatures,i.e.,195 K,245 K,295 K,345 K,and 395 K.We have found that with the temperature increase,the maximum bond length(L max) of RDX N N trigger bond increases,and the interaction energy(E N-N) between two N atoms of the N-N trigger bond and the cohesive energy density(CED) decrease.These phenomena agree with the experimental fact that the PBX becomes more sensitive as the temperature increases.Therefore,we propose to use the maximum bond length L max of the trigger bond of the easily decomposed and exploded component and the interaction energy E N-N of the two relevant atoms as theoretical criteria to judge or predict the relative degree of heat and impact sensitivity for the energetic composites such as PBXs and solid propellants.
基金Project supported by the National Natural Science Foundation of China(No.51978624)the Zhejiang Provincial Natural Science Foundation of China(No.LY19E080030)+3 种基金the Production and Construction Group’s Programs for Science and Technology Development(No.2019AB016)the Zhejiang Cultural Relics Protection Science and Technology Project(No.2014009)the 2017 Hangzhou Transportation Society Scientific Research Project(No.14)the First-class Disciplines Project of Civil Engineering in Zhejiang Province,China。
文摘Tuning microstructures by adding nanoparticles is a promising way of improving the performance of cementitious composites.In this study,nanoclay was introduced to polyvinyl alcohol(PVA)fiber reinforced ultra high toughness cementitious composites(UHTCCs).The mechanical properties,crack patterns,water permeation resistance,and microstructures of UHTCCs with different dosages of nanoclay were studied.The addition of a proper dosage of nanoclay shows few effects on the compressive strength of UHTCCs,however,the compressive strength is decreased when an excessive amount of nanoclay is added.The flexural deformation capacity of UHTCCs is independent of nanoclay dosage,whereas the flexural strength generally decreases with an increasing dosage of nanoclay.Different cracking patterns were observed in the ultra high toughness cementitious composites containing nanoclay(NC-UHTCC)specimens subject to bending tests.A UHTCC with 1%(in weight)nanoclay shows the best water permeation resistance and the lowest water permeability.Variations in the mechanical properties and the water permeation resistance of UHTCCs containing different dosages of nanoclay could be ascribed to the synthetic effects of filling and heterogeneous nucleation of nanoclay at low dosages and the agglomeration effect of nanoclay at high dosages.This study is to optimize the water permeation resistance of UHTCCs,paving a path for the future application of UHTCCs in the fields of construction,decoration,and repair.
基金supported by the National Natural Science Foundation of China (Grant Nos. 10672027 and 90816025)the National Basic Research Program of China (Grant No. 2006CB601205)
文摘A sandwich beam model consisting of two face sheets and a foam core bonded by a viscoelastic adhesive layer is considered in order to investigate interfacial fracture behavior. Firstly, a cohesive zone model in conjunction with a Maxwell element in parallel, or with a Kelvin element in series, respectively, is employed to describe the characteristics of viscoelasticity for the adhesive layer. The models can be implemented into the implicit finite element code. Next, the parametric study shows that the in- fluences of loading rates on the cohesive zone energy and strength are quite different for different models. Finally, a sandwich double cantilever beam model is adopted to simulate the interface crack growth between the face sheet and core. Numerical examples are presented for various loading rates to demonstrate the efficacy of the rate-dependent cohesive models.
基金the National Natural Science Foundation of China (21201166, 11275090)the Major Research Plan of Natural Science Foundation of China (91426302, 91326202)+2 种基金the Strategic Priority Research Program of the Chinese Academy of Sciences (XDA030104)the Natural Science Foundation of Hunan Province (12JJ9006)the Scientific Research Fund of Hunan Provincial Education Department (12A116)
文摘Separation of trivalent lanthanides (Ln(Ⅲ)) and actinides (An(Ⅲ)) is a key issue in the advanced spent nuclear fuel repro- cessing. In the well-known trivalent actinide lanthanide separation by phosphorus reagent extraction from aqueous komplexes (TALSPEAK) process, the organophosphorus ligand HDEHP (di-(2-ethylhexyl) phosphoric acid) has been used as an efficient reagent for the partitioning of Ln(Ⅲ) from An(Ⅲ) with the combination of a holdback reagent in aqueous lactate buffer solu- tion. In this work, the structural and electronic properties of Eu3+ and Am3+ complexes with HDEHP in nitric acid solution have been systematically explored by using scalar-relativistic density functional theory (DFT). It was found that HDEHP can coordinate with M(Ⅲ) (M=Eu, Am) cations in the form of hydrogen-bonded dimers HL2 (L=DEHP), and the metal ions pre- fer to coordinate with the phosphoryl oxygen atom of the ligand. For all the extraction complexes, the metal-ligand bonds are mainly ionic in nature. Although Eu(Ⅲ) complexes have higher interaction energies, the HL2- dimer shows comparable affini- ty for Eu(Ⅲ) and Am(Ⅲ) according to thermodynamic analysis, nonahydrate. It is expected that this work could provide insightful HDEHP at the molecular level. which may be attributed to the higher stabilities of Eu(Ⅲ) information on the complexation of An(Ⅲ) and Ln(Ⅲ) with
基金supported by the National Basic Research Program of China (Grant Nos. 2007CB613803 and 2007CB613702)
文摘Based on the concept of melt residual bonds, a calculating model quantitatively describing the evolution of the residual bond structure of titanium melt at the melting point or in a certain range above the melting point was established; i.e., both the size ds and the bond number n of the residual bond structure decrease monotonously with the increase of temperature. By mathe- matical deduction, a linear relationship between the residual bond structure size ds and the dynamic viscosity 17 of Titanium melt was revealed, i.e., η= 0.876 + 0.471·ds, which is of great significance to the investigation of the relationship between the melt microstructure and the macroscopic properties of metals with high melting temperature.