Accurate 3-D fracture network model for rock mass in dam foundation is of vital importance for stability,grouting and seepage analysis of dam foundation.With the aim of reducing deviation between fracture network mode...Accurate 3-D fracture network model for rock mass in dam foundation is of vital importance for stability,grouting and seepage analysis of dam foundation.With the aim of reducing deviation between fracture network model and measured data,a 3-D fracture network dynamic modeling method based on error analysis was proposed.Firstly,errors of four fracture volume density estimation methods(proposed by ODA,KULATILAKE,MAULDON,and SONG)and that of four fracture size estimation methods(proposed by EINSTEIN,SONG and TONON)were respectively compared,and the optimal methods were determined.Additionally,error index representing the deviation between fracture network model and measured data was established with integrated use of fractal dimension and relative absolute error(RAE).On this basis,the downhill simplex method was used to build the dynamic modeling method,which takes the minimum of error index as objective function and dynamically adjusts the fracture density and size parameters to correct the error index.Finally,the 3-D fracture network model could be obtained which meets the requirements.The proposed method was applied for 3-D fractures simulation in Miao Wei hydropower project in China for feasibility verification and the error index reduced from 2.618 to 0.337.展开更多
The rapid solidification process of Mg7Zn3 alloy was simulated by the molecular dynamics method. The relationship between the local structure and the dynamics during the liquid-glass transition was deeply investigated...The rapid solidification process of Mg7Zn3 alloy was simulated by the molecular dynamics method. The relationship between the local structure and the dynamics during the liquid-glass transition was deeply investigated. It was found that the Mg-centered FK polyhedron and the Zn-centered icosahedron play a critical role in the formation of Mg7Zn3 metallic glass. The self-diffusion coefficients of Mg and Zn atoms deviate from the Arrhenius law near the melting temperature and then satisfy the power law. According to the time correlation functions of mean-square displacement, incoherent intermediate scattering function and non-Gaussian parameter, it was found that the β-relaxation in Mg7Zn3 supercooled liquid becomes more and more evident with decreasing temperature, and the α-relaxation time rapidly increases in the VFT law. Moreover, the smaller Zn atom has a faster relaxation behavior than the Mg atom. Some local atomic structures with short-range order have lower mobility, and they play a critical role in the appearance of cage effect in theβ-relaxation regime. The dynamics deviates from the Arrhenius law just at the temperature as the number of local atomic structures begins to rapidly increase. The dynamic glass transition temperature （Tc） is close to the glass transition point in structure （TgStr）.展开更多
Abundant evidences of higher sea levels from Jiangsu and Fujian coasts have proved a marine transgression event during 30–40 ka BP, suggesting that there was a stage with high sea level and a warm climate when ice sh...Abundant evidences of higher sea levels from Jiangsu and Fujian coasts have proved a marine transgression event during 30–40 ka BP, suggesting that there was a stage with high sea level and a warm climate when ice sheets shrank in the Northern Hemisphere. The duration of 30–40 ka BP spanned a period in the late Marine Isotope Stage 3（MIS 3） and was in nature an interstadial epoch during the Last Glacial period of the Quaternary. Different from the glacial period with a cold climate, this marine transgression considered as a penultimate higher sea level during the Quaternary remains a puzzle that why the evidence is contrary to the Quaternary glacial theory. It is important to understand sea level rise for these areas sensitively responding to the global changes in the future. To recognize the key issues on sea level changes, the eustatic sea level（H_S） was defined as the glaciation-climateforced sea levels, and the relative sea level change（H_R） was defined as that a sea level record was preserved in sediment that experienced multiple secondary actions of land and sea effects. On the basis as defined above, we constructed multi-level models of climate-driven glacio-eustatic changes and land-sea systems. By integrating data sets from eight borehole cores and prescribing the boundary conditions, we simulated the changes of HS and HR in the East China Sea and southern Yellow Sea areas in the late MIS 3. The marine transgression strata from the borehole core data was identified at ca. 30 m below present sea level as a result of the collective influence of ice melting water, neotectonic subsidence, sediment compaction and terrestrial sediment filling since ca. 35 ka ago,whereas the simulated relative sea-levels turned out to be –26.3––29.9 m a.s.l. The small error involved in the simulation results of ±（2.5–4.5） m demonstrated the credibility of the results. Our results indicated that sea level change in the late MIS 3 was dominated by glacial effects, in which the eustatic sea-level was between –19.2––22.1m a.s.l. The study sheds light on the nature of sea-level changes along the east coast of China in the late MIS 3 and contributes to understanding the characteristics of marine transgression under the effects of multiple complex land-sea interactions.展开更多
Janus kinase 3（JAK3） is a member of Janus kinase（JAK） family, and it represents a promising target for the treatment of immune diseases and cancers. However, no highly selective inhibitors of JAK3 have been develo...Janus kinase 3（JAK3） is a member of Janus kinase（JAK） family, and it represents a promising target for the treatment of immune diseases and cancers. However, no highly selective inhibitors of JAK3 have been developed. For discovering the binding mechanism of JAK3 and these inhibitors, a molecular modeling study combining molecular docking, three-dimensional quantitative structure-activity relationships（3D-QSAR）, molecular dynamics and binding free energy calculations was performed on a series of pyrimidine-based compounds which could bind with the unique residue Cys909 of JAK3 kinase as the selective inhibitors of JAK3 in this work. The optimum Co MFA and Co MSIA models were generated based on the conformations obtained by molecular docking. The results showed that the models have satisfactory predicted capacity in both internal and external validation. Furthermore, a 50 ns molecular dynamics simulation was carried out to determine the detailed binding process of inhibitors with different activities. It was demonstrated that hydrogen bond interactions with Leu828, Glu903, Tyr904, Leu905 and Leu956 of JAK3 are significant for activity increase, and the Van der Waals interaction is mainly responsible for stable complex.展开更多
Since programing complex and dynamic heat source model for welding simulation is a complex job,the parametric methods are studied in this paper.Firstly,an overall flow to achieve automatically modeling welding was int...Since programing complex and dynamic heat source model for welding simulation is a complex job,the parametric methods are studied in this paper.Firstly,an overall flow to achieve automatically modeling welding was introduced.Secondly,an expert module rule for selecting welding heat source model was founded,which is based on simulation knowledge and experiences.Thirdly,a modularity routine method was investigated using writing with C++programing,which automatically creates subroutines of 3D dynamic heat source model for user.To realize the dynamic weld path,the local weld path coordinate system was moved in the global coordinate system and it is used to model the direction of weld gun,welding path and welding pose.The weld path data file was prepared by the automatic tool for the welding heat source subroutines.All above functions were integrated in the user interface and the connection with architecture was introduced.At last,a laser beam welding heat source modeling was automatically modeled and the weld pool geometry was compared with the reported literature.It demonstrated that the automated tool is valid for welding simulation.Since modeling became convenient for welding simulation using the tool proposed,it could be easy and useful for welding engineers to acquire the needed information.展开更多
Hot compression tests of 3Cr2NiMnMo steel were performed at temperatures in the range of 850 to 1 100 ℃ and with strain rates of 10 ^-2 s^- 1 to 1 s ^-1. Both the constitutive equations and the hot deformation activa...Hot compression tests of 3Cr2NiMnMo steel were performed at temperatures in the range of 850 to 1 100 ℃ and with strain rates of 10 ^-2 s^- 1 to 1 s ^-1. Both the constitutive equations and the hot deformation activation energy were derived from the correlativity of flow stress, strain rate and temperature. The mathematical models of the dynamic recrystaIiization of 3Cr2NiMnMo steel, which inelude the dynamic recrystallization kinetics model and the crystalliza- tion grain size model, are based on Avrami＇s law and the results of thermosimulation experiments. By integrating de- rived dynamic recrystallization models with the thermal mechanical coupled finite element method, the microstruc ture evolution in hot compressive deformation was simulated. The distribution of dynamic recrystallization grains and grain sizes were determined through a comparison of the simulation results with the experimental results. The distri- bution of strain and dynamic recrystallization grain is also discussed. The similarity between the experimental results and the simulated results indicates that the derived dynamic recrystallization models can be applied effectively to pre diet and analyze the microstructure evolution in hot deformed 3Cr2NiMnMo steel.展开更多
With the Voter-Chen version of embedded-atom model （EAM） potential and molecular dynamics, the melting of Ni3Al alloy was simulated by one-phase （conventional） and two-phase approaches. It is shown that the simula...With the Voter-Chen version of embedded-atom model （EAM） potential and molecular dynamics, the melting of Ni3Al alloy was simulated by one-phase （conventional） and two-phase approaches. It is shown that the simulated melting point is dependent on the potential and the simulation method. The structures of the melts obtained by different simulation methods were analyzed by the pair correlation function, the coordination number, and the distribution of atom pair type （indexed by the Honeycutt-Andersen pair analysis technique）. The results show that the structures are very similar.展开更多
The molecular dynamics method has been used to study the YCl3 molten salt. The results of the molecular dynamics simulation agree with those of the neutron diffraction experiment. It is found that there are like-octah...The molecular dynamics method has been used to study the YCl3 molten salt. The results of the molecular dynamics simulation agree with those of the neutron diffraction experiment. It is found that there are like-octahedral structure of YCl or its fragment. The diffusion coefficients of Y3+ and Cl- in the YCl3 melt are also calculated.展开更多
During stress corrosion cracking of Cu3Au alloy, there is a dealloyed layer on its surface because of preferential dissolution of Cu, and there is a linear distribution of Cu vacancy concentration in the dealloyed lay...During stress corrosion cracking of Cu3Au alloy, there is a dealloyed layer on its surface because of preferential dissolution of Cu, and there is a linear distribution of Cu vacancy concentration in the dealloyed layer. Molecular dynamics simulation has been done on the three-dimensional crystal (about 148 000 atoms) by employing the embedded-atom method (EAM) potential. Simulation shows that Cu3Au crystal in which there is a dealloyed layer on one surface and one end is fixed will be deflected after relaxing for a long time because of a tensile stress generated at or near the dealloyed layer interface. The deflection and then the tensile stress increase with increasing the depth of dealloyed layer and the vacancy concentration in the dealloyed layer.展开更多
The perfluorosulfonic acid(PFSA) membrane doped with two-dimensional conductive filler Ti_(3)C_(2)T_(x) is a fuel cell proton exchange membrane with high application potential. Experimental studies showed that the pro...The perfluorosulfonic acid(PFSA) membrane doped with two-dimensional conductive filler Ti_(3)C_(2)T_(x) is a fuel cell proton exchange membrane with high application potential. Experimental studies showed that the proton conductivity of Nafion/Ti_(3)C_(2)T_(x) composite membrane is improved significantly compared with that in pure Nafion. However, the microscopic mechanism of doping on the enhancement of membrane performance is remain unclear now. In this work, molecular dynamics simulation was used to investigate the microscopic morphology and proton transport behaviors of Nafion/Ti_(3)C_(2)T_(x) composite membrane at the molecular level. The results shown that there were significant differences about the diffusion kinetics of water molecules and hydroxium ions in Nafion/Ti_(3)C_(2)T_(x) at low and high hydration levels in the nanoscale region.With the increase of water content, Ti_(3)C_(2)T_(x) in membrane was gradually surrounded by ambient water molecules to form a hydration layer, and forming a relatively continuous proton transport channel between Nafion polymer and Ti_(3)C_(2)T_(x) monomer. The continuous proton transport channel could increase the number of binding sites of proton and thus achieving high proton conductivity and high mobility of water molecules at higher hydration level. The current work can provide a theoretical guidance for designing new type of Nafion composite membranes.展开更多
Al-Sc and Al-Ti semi-infinite targets were impacted by high-speed projectiles at velocities of 0.8, 1.0, 1.2 and 1.5 km/s, respectively. It is found that the Al-Sc targets demonstrate more excellent ability to resist ...Al-Sc and Al-Ti semi-infinite targets were impacted by high-speed projectiles at velocities of 0.8, 1.0, 1.2 and 1.5 km/s, respectively. It is found that the Al-Sc targets demonstrate more excellent ability to resist high-speed impact. It is concluded that different microstructures of Al-Sc and Al-Ti alloys, including different grain sizes and secondary particles precipitated in the matrix, result in their greatly different capabilities of resisting impact. Furthermore, the effect of the size range ofnanoscale A13Sc precipitate in A1-Sc alloy on the resistance of high-speed impact was investigated. In addition, computer simulations and validation of these simulations were developed which fairly accurately represented residual crater shapes/geometries. Validated computer simulations allowed representative extrapolations of impact craters well beyond the laboratory where melt and solidification occurred at the crater wall, especially for hypervelocity impact （〉5 km/s）.展开更多
Currently, numerical simulations of seismic channel waves for the advance detection of geological structures in coal mine roadways focus mainly on modeling two- dimensional wave fields and therefore cannot accurately ...Currently, numerical simulations of seismic channel waves for the advance detection of geological structures in coal mine roadways focus mainly on modeling two- dimensional wave fields and therefore cannot accurately simulate three-dimensional （3-D） full-wave fields or seismic records in a full-space observation system. In this study, we use the first-order velocity-stress staggered-grid finite difference algorithm to simulate 3-D full-wave fields with P-wave sources in front of coal mine roadways. We determine the three components of velocity Vx, Vy, and Vz for the same node in 3-D staggered-grid finite difference models by calculating the average value of Vy, and Vz of the nodes around the same node. We ascertain the wave patterns and their propagation characteristics in both symmetrical and asymmetric coal mine roadway models. Our simulation results indicate that the Rayleigh channel wave is stronger than the Love channel wave in front of the roadway face. The reflected Rayleigh waves from the roadway face are concentrated in the coal seam, release less energy to the roof and floor, and propagate for a longer distance. There are surface waves and refraction head waves around the roadway. In the seismic records, the Rayleigh wave energy is stronger than that of the Love channel wave along coal walls of the roadway, and the interference of the head waves and surface waves with the Rayleigh channel wave is weaker than with the Love channel wave. It is thus difficult to identify the Love channel wave in the seismic records. Increasing the depth of the receivers in the coal walls can effectively weaken the interference of surface waves with the Rayleigh channel wave, but cannot weaken the interference of surface waves with the Love channel wave. Our research results also suggest that the Love channel wave, which is often used to detect geological structures in coal mine stopes, is not suitable for detecting geological structures in front of coal mine roadways. Instead, the Rayleigh channel wave can be used for the advance detection of geological structures in coal mine roadways.展开更多
After the hot deformation sample of Ti-10V-2Fe-3Al alloy was treated by solid solution in theα+βtwo-phase region,the coarseβgrains that often appeared in theβsingle phase region were observed in the local region,i...After the hot deformation sample of Ti-10V-2Fe-3Al alloy was treated by solid solution in theα+βtwo-phase region,the coarseβgrains that often appeared in theβsingle phase region were observed in the local region,indicating that the abnormal grain growth occurred in the local microstructural region,and the macrostructure also showed abnormally coarse grains(ACGs).The dynamic recrystallization(DRX)behavior of Ti-10V-2Fe-3Al titanium alloy was systematically investigated through hot compression tests on the Gleeble-3800 system.The DRX model ofβgrains was established,and the quantitative correlation between DRX characteristics and the appearance of ACG was clarified.Based on these results,a numerical simulation platform was developed to realize the visual prediction of ACG distribution.The results show that the increase of deformation temperature and the decrease of strain rate both contribute to a significant increase in the grain size(d_(DRX)))and volume fraction(X_(DRX))of DRXed grains.However,the proper X_(DRX)and smaller d_(DRX))at low deformation temperature and high strain rate make the macro and microstructure show ACGs after solid solution.Interestingly,if the DRX degree is excessive or insufficient,ACGs cannot be produced,indicating that ACGs are solid solution products based on the appropriate DRX degree.According to the flow curves and statistical results of microstructure,the quantitative model of DRX kinetics and DRX grain size model were constructed,and the quantitative criterion model that is related to the formation of ACG with grain size(d_(DRX)))and volume fraction(X_(DRX))of DRXed grains as the key parameters was established,i.e.,d_(DRX)≤2.60µm,72.5%≤X_(DRX)≤87.9%.By integrating the subroutine of coarse grain criterion,the isothermal compression process of cylindrical samples and the actual die forging process of H-shaped parts were simulated by DEFORM-3D software of finite element(FE),respectively,and the visual prediction of the distribution of macroscopic ACGs was realized.There is a good consistency between the tested results and the simulated results,indicating a strong correlation between macroscopic ACGs and microscopic DRX.展开更多
Basing on the analysis of the traits of the roll forging process, a system-model of computer simulation has been established. Three-dimensional rigid-plastic FEM has been used for the simulation of the deformation pro...Basing on the analysis of the traits of the roll forging process, a system-model of computer simulation has been established. Three-dimensional rigid-plastic FEM has been used for the simulation of the deformation process in the oval and round pass rolling, including the entering, rolling, and separating stages. The analysis was conducted using the Deform-3D ver.5.0 code. The important information concerned with the deformation area characteristic, material flow, and velocity field has been presented. Otherwise, the location of the neutral plane in the deformation area was shown clearly.展开更多
Combined multi-body dynamics with structural dynamics, a new discrete element with flexible connector, which is applicable for 3-D beam structures, is developed in this paper. Both the generalized elastic coefficient ...Combined multi-body dynamics with structural dynamics, a new discrete element with flexible connector, which is applicable for 3-D beam structures, is developed in this paper. Both the generalized elastic coefficient matrix of the flexible connector and the mass matrix of discrete element may be off-diagonal in a general case. The zero-length rigid element is introduced to simulate the node at which multiple elements are jointed together. It may also be effective when the axes of adjacent elements are not in the same line. The examples for eigenvalue calculation show that the model is successful. It can be extended to the geometric nonlinear response analysis.展开更多
A mathematical model expressing the motion of a pair of multi-DOF robot fingers with hemi-spherical ends, grasping a 3-D rigid object with parallel fiat surfaces, is derived, together with non-holonomic constraints. B...A mathematical model expressing the motion of a pair of multi-DOF robot fingers with hemi-spherical ends, grasping a 3-D rigid object with parallel fiat surfaces, is derived, together with non-holonomic constraints. By referring to the fact that humans grasp an object in the form of precision prehension, dynamically and stably by opposable forces, between the thumb and another finger （index or middle finger）, a simple control signal constructed from finger-thumb opposition is proposed, and shown to realize stable grasping in a dynamic sense without using object information or external sensing （this is called ＂blind grasp＂ in this paper）. The stability of grasping with force/torque balance under non-holonomic constraints is analyzed on the basis of a new concept named ＂stability on a manifold＂. Preliminary simulation results are shown to verify the validity of the theoretical results.展开更多
In meandering rivers, the flow pattern is highly complex, with specific characteristics at bends that are not observed along straight paths. A numerical model can be effectively used to predict such flow fields. Since...In meandering rivers, the flow pattern is highly complex, with specific characteristics at bends that are not observed along straight paths. A numerical model can be effectively used to predict such flow fields. Since river bends are not uniform-some are divergent and others convergent-in this study, after the SSIIM 3-D model was calibrated using the result of measurements along a uniform 180° bend with a width of 0.6 m, a similar but convergent 180v bend, 0.6 m to 0.45 m wide, was simulated using the SSI1M 3-D numerical model. Flow characteristics of the convergent 180° bend, including lengthwise and vertical velocity profiles, primary and secondary flows, lengthwise and widtbwise slopes of the water surface, and the helical flow strength, were compared with those of the uniform 180° bend. The verification results of the model show that the numerical model can effectively simulate the flow field in the uniform bend. In addition, this research indicates that, in a convergent channel, the maximum velocity path at a plane near the water surface crosses the channel＇s centerline at about a 30° to 40° cross-section, while in the uniform bend, this occurs at about the 50° cross-section. The varying range of the water surface elevation is wider in the convergent channel than in the uniform one, and the strength of the helical flow is generally greater in the uniform channel than in the convergent one. Also, unlike the uniform bend, the convergent bend exhibits no rotational cell against the main direction of secondary flow rotation at the 135° cross-section.展开更多
The anti-slide support structure is widely used in the anti-seismic reinforcement of bridge foundations,but related experimental research was processing slowly. Based on the prototype of the Jiuzhaigou bridge at the C...The anti-slide support structure is widely used in the anti-seismic reinforcement of bridge foundations,but related experimental research was processing slowly. Based on the prototype of the Jiuzhaigou bridge at the Chengdu-Lanzhou Railway,a 3-D simulation model was established on the basis of the shaking table model test,and the rationality of the dynamic analysis model was verified by indicators such as the bending moment of the bridge piles,peak soil pressure,and PGA amplification factors. The results show that the inertia force of the bridge pier has an important influence on the deformation of the pile foundation. The bending moment and shearing force are larger in lateral bridge piles,and the maximum value is near the pile top. The PGA amplification factor is stronger in the back of the rear anti-slide piles and so is it in front of the bridge pier,and the soil is prone to slip and damage. The bedrock is rigid and the dynamic response is maintained at a low level. The anti-slide piles in the rear row play a major role in the anti-seismic reinforcement design,and the anti-slide piles in the front row can be used as an auxiliary support structure.展开更多
A 3-D finite-element numerical simulation model of temperature field for CIESC casting solidification process was developed with the aid of ANSYS software and a series of corresponding experiments were made. The resul...A 3-D finite-element numerical simulation model of temperature field for CIESC casting solidification process was developed with the aid of ANSYS software and a series of corresponding experiments were made. The results showed that the good agreement was obtained between the numerical simulation and the experiments. Based on the numerical simulation results, the characteristics of temperature distribution in the castings during CIESC solidification process were analyzed and summarized. According to the G/R-1/2 method and numerical simulation results, there is no any shrinkage defect in the CIESC casting and structure or casting is fine and compact.展开更多
基金Project(51321065)supported by the Innovative Research Groups of the National Natural Science Foundation of ChinaProject(2013CB035904)supported by the National Basic Research Program of China(973 Program)Project(51439005)supported by the National Natural Science Foundation of China
文摘Accurate 3-D fracture network model for rock mass in dam foundation is of vital importance for stability,grouting and seepage analysis of dam foundation.With the aim of reducing deviation between fracture network model and measured data,a 3-D fracture network dynamic modeling method based on error analysis was proposed.Firstly,errors of four fracture volume density estimation methods(proposed by ODA,KULATILAKE,MAULDON,and SONG)and that of four fracture size estimation methods(proposed by EINSTEIN,SONG and TONON)were respectively compared,and the optimal methods were determined.Additionally,error index representing the deviation between fracture network model and measured data was established with integrated use of fractal dimension and relative absolute error(RAE).On this basis,the downhill simplex method was used to build the dynamic modeling method,which takes the minimum of error index as objective function and dynamically adjusts the fracture density and size parameters to correct the error index.Finally,the 3-D fracture network model could be obtained which meets the requirements.The proposed method was applied for 3-D fractures simulation in Miao Wei hydropower project in China for feasibility verification and the error index reduced from 2.618 to 0.337.
基金Project (51101022) supported by the National Natural Science Foundation of ChinaProject (CHD2012JC096) supported by the Fundamental Research Funds for the Central Universities,China
文摘The rapid solidification process of Mg7Zn3 alloy was simulated by the molecular dynamics method. The relationship between the local structure and the dynamics during the liquid-glass transition was deeply investigated. It was found that the Mg-centered FK polyhedron and the Zn-centered icosahedron play a critical role in the formation of Mg7Zn3 metallic glass. The self-diffusion coefficients of Mg and Zn atoms deviate from the Arrhenius law near the melting temperature and then satisfy the power law. According to the time correlation functions of mean-square displacement, incoherent intermediate scattering function and non-Gaussian parameter, it was found that the β-relaxation in Mg7Zn3 supercooled liquid becomes more and more evident with decreasing temperature, and the α-relaxation time rapidly increases in the VFT law. Moreover, the smaller Zn atom has a faster relaxation behavior than the Mg atom. Some local atomic structures with short-range order have lower mobility, and they play a critical role in the appearance of cage effect in theβ-relaxation regime. The dynamics deviates from the Arrhenius law just at the temperature as the number of local atomic structures begins to rapidly increase. The dynamic glass transition temperature （Tc） is close to the glass transition point in structure （TgStr）.
基金the National Basic Research Program of China under contract Nos 2013CB956501 and 2012CB956103
文摘Abundant evidences of higher sea levels from Jiangsu and Fujian coasts have proved a marine transgression event during 30–40 ka BP, suggesting that there was a stage with high sea level and a warm climate when ice sheets shrank in the Northern Hemisphere. The duration of 30–40 ka BP spanned a period in the late Marine Isotope Stage 3（MIS 3） and was in nature an interstadial epoch during the Last Glacial period of the Quaternary. Different from the glacial period with a cold climate, this marine transgression considered as a penultimate higher sea level during the Quaternary remains a puzzle that why the evidence is contrary to the Quaternary glacial theory. It is important to understand sea level rise for these areas sensitively responding to the global changes in the future. To recognize the key issues on sea level changes, the eustatic sea level（H_S） was defined as the glaciation-climateforced sea levels, and the relative sea level change（H_R） was defined as that a sea level record was preserved in sediment that experienced multiple secondary actions of land and sea effects. On the basis as defined above, we constructed multi-level models of climate-driven glacio-eustatic changes and land-sea systems. By integrating data sets from eight borehole cores and prescribing the boundary conditions, we simulated the changes of HS and HR in the East China Sea and southern Yellow Sea areas in the late MIS 3. The marine transgression strata from the borehole core data was identified at ca. 30 m below present sea level as a result of the collective influence of ice melting water, neotectonic subsidence, sediment compaction and terrestrial sediment filling since ca. 35 ka ago,whereas the simulated relative sea-levels turned out to be –26.3––29.9 m a.s.l. The small error involved in the simulation results of ±（2.5–4.5） m demonstrated the credibility of the results. Our results indicated that sea level change in the late MIS 3 was dominated by glacial effects, in which the eustatic sea-level was between –19.2––22.1m a.s.l. The study sheds light on the nature of sea-level changes along the east coast of China in the late MIS 3 and contributes to understanding the characteristics of marine transgression under the effects of multiple complex land-sea interactions.
基金supported by the National Natural Science Foundation of China(No.81270054)the program for Outstanding Young Teachers in Higher Education Institutions of Guangdong Province(No.Yq2013045)
文摘Janus kinase 3（JAK3） is a member of Janus kinase（JAK） family, and it represents a promising target for the treatment of immune diseases and cancers. However, no highly selective inhibitors of JAK3 have been developed. For discovering the binding mechanism of JAK3 and these inhibitors, a molecular modeling study combining molecular docking, three-dimensional quantitative structure-activity relationships（3D-QSAR）, molecular dynamics and binding free energy calculations was performed on a series of pyrimidine-based compounds which could bind with the unique residue Cys909 of JAK3 kinase as the selective inhibitors of JAK3 in this work. The optimum Co MFA and Co MSIA models were generated based on the conformations obtained by molecular docking. The results showed that the models have satisfactory predicted capacity in both internal and external validation. Furthermore, a 50 ns molecular dynamics simulation was carried out to determine the detailed binding process of inhibitors with different activities. It was demonstrated that hydrogen bond interactions with Leu828, Glu903, Tyr904, Leu905 and Leu956 of JAK3 are significant for activity increase, and the Van der Waals interaction is mainly responsible for stable complex.
基金supported by Young Innovative Talents Training Plan of Heilongjiang(UNPYSCT-2018133).
文摘Since programing complex and dynamic heat source model for welding simulation is a complex job,the parametric methods are studied in this paper.Firstly,an overall flow to achieve automatically modeling welding was introduced.Secondly,an expert module rule for selecting welding heat source model was founded,which is based on simulation knowledge and experiences.Thirdly,a modularity routine method was investigated using writing with C++programing,which automatically creates subroutines of 3D dynamic heat source model for user.To realize the dynamic weld path,the local weld path coordinate system was moved in the global coordinate system and it is used to model the direction of weld gun,welding path and welding pose.The weld path data file was prepared by the automatic tool for the welding heat source subroutines.All above functions were integrated in the user interface and the connection with architecture was introduced.At last,a laser beam welding heat source modeling was automatically modeled and the weld pool geometry was compared with the reported literature.It demonstrated that the automated tool is valid for welding simulation.Since modeling became convenient for welding simulation using the tool proposed,it could be easy and useful for welding engineers to acquire the needed information.
基金Sponsored by Innovation Program of Shanghai Municipal Education Commission of China(12ZZ183)Shanghai IndustryUniversity Coorperation Projects of China(12QY20)
文摘Hot compression tests of 3Cr2NiMnMo steel were performed at temperatures in the range of 850 to 1 100 ℃ and with strain rates of 10 ^-2 s^- 1 to 1 s ^-1. Both the constitutive equations and the hot deformation activation energy were derived from the correlativity of flow stress, strain rate and temperature. The mathematical models of the dynamic recrystaIiization of 3Cr2NiMnMo steel, which inelude the dynamic recrystallization kinetics model and the crystalliza- tion grain size model, are based on Avrami＇s law and the results of thermosimulation experiments. By integrating de- rived dynamic recrystallization models with the thermal mechanical coupled finite element method, the microstruc ture evolution in hot compressive deformation was simulated. The distribution of dynamic recrystallization grains and grain sizes were determined through a comparison of the simulation results with the experimental results. The distri- bution of strain and dynamic recrystallization grain is also discussed. The similarity between the experimental results and the simulated results indicates that the derived dynamic recrystallization models can be applied effectively to pre diet and analyze the microstructure evolution in hot deformed 3Cr2NiMnMo steel.
基金This study was financially supported by the National Natural Science Foundation of China (No.50431030).
文摘With the Voter-Chen version of embedded-atom model （EAM） potential and molecular dynamics, the melting of Ni3Al alloy was simulated by one-phase （conventional） and two-phase approaches. It is shown that the simulated melting point is dependent on the potential and the simulation method. The structures of the melts obtained by different simulation methods were analyzed by the pair correlation function, the coordination number, and the distribution of atom pair type （indexed by the Honeycutt-Andersen pair analysis technique）. The results show that the structures are very similar.
文摘The molecular dynamics method has been used to study the YCl3 molten salt. The results of the molecular dynamics simulation agree with those of the neutron diffraction experiment. It is found that there are like-octahedral structure of YCl or its fragment. The diffusion coefficients of Y3+ and Cl- in the YCl3 melt are also calculated.
基金This work was financially supported by the NNSF(No.59872004)the Special Funds for the Major State Basic Research Projects(No
文摘During stress corrosion cracking of Cu3Au alloy, there is a dealloyed layer on its surface because of preferential dissolution of Cu, and there is a linear distribution of Cu vacancy concentration in the dealloyed layer. Molecular dynamics simulation has been done on the three-dimensional crystal (about 148 000 atoms) by employing the embedded-atom method (EAM) potential. Simulation shows that Cu3Au crystal in which there is a dealloyed layer on one surface and one end is fixed will be deflected after relaxing for a long time because of a tensile stress generated at or near the dealloyed layer interface. The deflection and then the tensile stress increase with increasing the depth of dealloyed layer and the vacancy concentration in the dealloyed layer.
基金financially supported by the National Key R&D Program of China (Nos.2020YFB1505500 and 2020YFB1505503)。
文摘The perfluorosulfonic acid(PFSA) membrane doped with two-dimensional conductive filler Ti_(3)C_(2)T_(x) is a fuel cell proton exchange membrane with high application potential. Experimental studies showed that the proton conductivity of Nafion/Ti_(3)C_(2)T_(x) composite membrane is improved significantly compared with that in pure Nafion. However, the microscopic mechanism of doping on the enhancement of membrane performance is remain unclear now. In this work, molecular dynamics simulation was used to investigate the microscopic morphology and proton transport behaviors of Nafion/Ti_(3)C_(2)T_(x) composite membrane at the molecular level. The results shown that there were significant differences about the diffusion kinetics of water molecules and hydroxium ions in Nafion/Ti_(3)C_(2)T_(x) at low and high hydration levels in the nanoscale region.With the increase of water content, Ti_(3)C_(2)T_(x) in membrane was gradually surrounded by ambient water molecules to form a hydration layer, and forming a relatively continuous proton transport channel between Nafion polymer and Ti_(3)C_(2)T_(x) monomer. The continuous proton transport channel could increase the number of binding sites of proton and thus achieving high proton conductivity and high mobility of water molecules at higher hydration level. The current work can provide a theoretical guidance for designing new type of Nafion composite membranes.
文摘Al-Sc and Al-Ti semi-infinite targets were impacted by high-speed projectiles at velocities of 0.8, 1.0, 1.2 and 1.5 km/s, respectively. It is found that the Al-Sc targets demonstrate more excellent ability to resist high-speed impact. It is concluded that different microstructures of Al-Sc and Al-Ti alloys, including different grain sizes and secondary particles precipitated in the matrix, result in their greatly different capabilities of resisting impact. Furthermore, the effect of the size range ofnanoscale A13Sc precipitate in A1-Sc alloy on the resistance of high-speed impact was investigated. In addition, computer simulations and validation of these simulations were developed which fairly accurately represented residual crater shapes/geometries. Validated computer simulations allowed representative extrapolations of impact craters well beyond the laboratory where melt and solidification occurred at the crater wall, especially for hypervelocity impact （〉5 km/s）.
基金supported by National Natural Science Foundation of China(Nos.41204077,41372290,41572244,51034003,51174210,and 51304126)natural science foundation of Shandong Province(Nos.ZR2011EEZ002 and ZR2013EEQ019)State Key Research Development Program of China(No.2016YFC0600708-3)
文摘Currently, numerical simulations of seismic channel waves for the advance detection of geological structures in coal mine roadways focus mainly on modeling two- dimensional wave fields and therefore cannot accurately simulate three-dimensional （3-D） full-wave fields or seismic records in a full-space observation system. In this study, we use the first-order velocity-stress staggered-grid finite difference algorithm to simulate 3-D full-wave fields with P-wave sources in front of coal mine roadways. We determine the three components of velocity Vx, Vy, and Vz for the same node in 3-D staggered-grid finite difference models by calculating the average value of Vy, and Vz of the nodes around the same node. We ascertain the wave patterns and their propagation characteristics in both symmetrical and asymmetric coal mine roadway models. Our simulation results indicate that the Rayleigh channel wave is stronger than the Love channel wave in front of the roadway face. The reflected Rayleigh waves from the roadway face are concentrated in the coal seam, release less energy to the roof and floor, and propagate for a longer distance. There are surface waves and refraction head waves around the roadway. In the seismic records, the Rayleigh wave energy is stronger than that of the Love channel wave along coal walls of the roadway, and the interference of the head waves and surface waves with the Rayleigh channel wave is weaker than with the Love channel wave. It is thus difficult to identify the Love channel wave in the seismic records. Increasing the depth of the receivers in the coal walls can effectively weaken the interference of surface waves with the Rayleigh channel wave, but cannot weaken the interference of surface waves with the Love channel wave. Our research results also suggest that the Love channel wave, which is often used to detect geological structures in coal mine stopes, is not suitable for detecting geological structures in front of coal mine roadways. Instead, the Rayleigh channel wave can be used for the advance detection of geological structures in coal mine roadways.
基金Projects(52275388,52075474)supported by the National Natural Science Foundation of ChinaProject(236Z1008G)supported by the Special Project of Hebei Provincial Central Government Guiding Local Science and Technology Development,China+1 种基金Project(E2022203206)supported by the Natural Science Foundation of Hebei Province,ChinaProject(241080457A)supported by the Shijiazhuang's University-Industry-Academia Cooperation Project in Hebei Province-Major Science and Technology Special Project,China。
文摘After the hot deformation sample of Ti-10V-2Fe-3Al alloy was treated by solid solution in theα+βtwo-phase region,the coarseβgrains that often appeared in theβsingle phase region were observed in the local region,indicating that the abnormal grain growth occurred in the local microstructural region,and the macrostructure also showed abnormally coarse grains(ACGs).The dynamic recrystallization(DRX)behavior of Ti-10V-2Fe-3Al titanium alloy was systematically investigated through hot compression tests on the Gleeble-3800 system.The DRX model ofβgrains was established,and the quantitative correlation between DRX characteristics and the appearance of ACG was clarified.Based on these results,a numerical simulation platform was developed to realize the visual prediction of ACG distribution.The results show that the increase of deformation temperature and the decrease of strain rate both contribute to a significant increase in the grain size(d_(DRX)))and volume fraction(X_(DRX))of DRXed grains.However,the proper X_(DRX)and smaller d_(DRX))at low deformation temperature and high strain rate make the macro and microstructure show ACGs after solid solution.Interestingly,if the DRX degree is excessive or insufficient,ACGs cannot be produced,indicating that ACGs are solid solution products based on the appropriate DRX degree.According to the flow curves and statistical results of microstructure,the quantitative model of DRX kinetics and DRX grain size model were constructed,and the quantitative criterion model that is related to the formation of ACG with grain size(d_(DRX)))and volume fraction(X_(DRX))of DRXed grains as the key parameters was established,i.e.,d_(DRX)≤2.60µm,72.5%≤X_(DRX)≤87.9%.By integrating the subroutine of coarse grain criterion,the isothermal compression process of cylindrical samples and the actual die forging process of H-shaped parts were simulated by DEFORM-3D software of finite element(FE),respectively,and the visual prediction of the distribution of macroscopic ACGs was realized.There is a good consistency between the tested results and the simulated results,indicating a strong correlation between macroscopic ACGs and microscopic DRX.
基金supported by the National Natural Science Foundation of China(No.50675014).
文摘Basing on the analysis of the traits of the roll forging process, a system-model of computer simulation has been established. Three-dimensional rigid-plastic FEM has been used for the simulation of the deformation process in the oval and round pass rolling, including the entering, rolling, and separating stages. The analysis was conducted using the Deform-3D ver.5.0 code. The important information concerned with the deformation area characteristic, material flow, and velocity field has been presented. Otherwise, the location of the neutral plane in the deformation area was shown clearly.
基金The project was financially supported by the National Natural Science Foundation of China
文摘Combined multi-body dynamics with structural dynamics, a new discrete element with flexible connector, which is applicable for 3-D beam structures, is developed in this paper. Both the generalized elastic coefficient matrix of the flexible connector and the mass matrix of discrete element may be off-diagonal in a general case. The zero-length rigid element is introduced to simulate the node at which multiple elements are jointed together. It may also be effective when the axes of adjacent elements are not in the same line. The examples for eigenvalue calculation show that the model is successful. It can be extended to the geometric nonlinear response analysis.
基金This work was supported in part by the Grant-in-Aid for Exploratory Research of the JSPS (No. 16656085).
文摘A mathematical model expressing the motion of a pair of multi-DOF robot fingers with hemi-spherical ends, grasping a 3-D rigid object with parallel fiat surfaces, is derived, together with non-holonomic constraints. By referring to the fact that humans grasp an object in the form of precision prehension, dynamically and stably by opposable forces, between the thumb and another finger （index or middle finger）, a simple control signal constructed from finger-thumb opposition is proposed, and shown to realize stable grasping in a dynamic sense without using object information or external sensing （this is called ＂blind grasp＂ in this paper）. The stability of grasping with force/torque balance under non-holonomic constraints is analyzed on the basis of a new concept named ＂stability on a manifold＂. Preliminary simulation results are shown to verify the validity of the theoretical results.
文摘In meandering rivers, the flow pattern is highly complex, with specific characteristics at bends that are not observed along straight paths. A numerical model can be effectively used to predict such flow fields. Since river bends are not uniform-some are divergent and others convergent-in this study, after the SSIIM 3-D model was calibrated using the result of measurements along a uniform 180° bend with a width of 0.6 m, a similar but convergent 180v bend, 0.6 m to 0.45 m wide, was simulated using the SSI1M 3-D numerical model. Flow characteristics of the convergent 180° bend, including lengthwise and vertical velocity profiles, primary and secondary flows, lengthwise and widtbwise slopes of the water surface, and the helical flow strength, were compared with those of the uniform 180° bend. The verification results of the model show that the numerical model can effectively simulate the flow field in the uniform bend. In addition, this research indicates that, in a convergent channel, the maximum velocity path at a plane near the water surface crosses the channel＇s centerline at about a 30° to 40° cross-section, while in the uniform bend, this occurs at about the 50° cross-section. The varying range of the water surface elevation is wider in the convergent channel than in the uniform one, and the strength of the helical flow is generally greater in the uniform channel than in the convergent one. Also, unlike the uniform bend, the convergent bend exhibits no rotational cell against the main direction of secondary flow rotation at the 135° cross-section.
基金supported by the National Basic Research Program of China (973 Program, No. 2013CB035904)the Innovative Research Groups of the National Natural Science Foundation of China (No. 51321065)the National Natural Science Foundation of China (No. 51439005)
基金the Railways Research andDevelopment Project of the Ministry of Railways of the Peoples Republic of China(Grant No.Z2012-061)
文摘The anti-slide support structure is widely used in the anti-seismic reinforcement of bridge foundations,but related experimental research was processing slowly. Based on the prototype of the Jiuzhaigou bridge at the Chengdu-Lanzhou Railway,a 3-D simulation model was established on the basis of the shaking table model test,and the rationality of the dynamic analysis model was verified by indicators such as the bending moment of the bridge piles,peak soil pressure,and PGA amplification factors. The results show that the inertia force of the bridge pier has an important influence on the deformation of the pile foundation. The bending moment and shearing force are larger in lateral bridge piles,and the maximum value is near the pile top. The PGA amplification factor is stronger in the back of the rear anti-slide piles and so is it in front of the bridge pier,and the soil is prone to slip and damage. The bedrock is rigid and the dynamic response is maintained at a low level. The anti-slide piles in the rear row play a major role in the anti-seismic reinforcement design,and the anti-slide piles in the front row can be used as an auxiliary support structure.
文摘A 3-D finite-element numerical simulation model of temperature field for CIESC casting solidification process was developed with the aid of ANSYS software and a series of corresponding experiments were made. The results showed that the good agreement was obtained between the numerical simulation and the experiments. Based on the numerical simulation results, the characteristics of temperature distribution in the castings during CIESC solidification process were analyzed and summarized. According to the G/R-1/2 method and numerical simulation results, there is no any shrinkage defect in the CIESC casting and structure or casting is fine and compact.
