In order to study the influence of microstructural texture on the growth of short fatigue cracks in metals, the nonequilibrium statistical theory of fatigue fracture correlating a microscopic mechanism with the macros...In order to study the influence of microstructural texture on the growth of short fatigue cracks in metals, the nonequilibrium statistical theory of fatigue fracture correlating a microscopic mechanism with the macroscopic properties is modified to take into consideration the microstructural features of a material, thereby allowing a rationalisation of the experimental data of short fatigue crack growth and long fatigue crack growth. The nonequilibrium statistical theory thus developed relates the growth of cracks with a dislocation mechanism to simulate short fatigue crack growth with the long fatigue crack growth behaviour and predicts the fatigue crack growth rates throughout the fatigue lifetime. The results is finally compared with that of other fatigue theories.展开更多
Nonequilibrium statistical theory of fracture is a theory of fracture that macromechanical quantities can be derived from the microscopic atomic mechanism of microcrack(or microvoid)evolution kinetcs by means of noneq...Nonequilibrium statistical theory of fracture is a theory of fracture that macromechanical quantities can be derived from the microscopic atomic mechanism of microcrack(or microvoid)evolution kinetcs by means of nonequilibrium statistical physical concepts and methods. The microcrack evolution equation is the central equation in the theory.The coefficents of the equation, the microcrack growth rate and the microcrack nucleation rate,come from microscopic atomic mechanism.The solution of the equation connects with macromechanical quantities by the model of the weakest chain. All the other formulas and quantities, for instance, distribution function,fracture probability, reliability, failure rate and macromechanical quantities such as strength, toughness, life etc. and their statistical distribution function and statistical fluctuation are derived in a unified fashion and expressed by a few physical parameters. This theory can be widely applied to various kinds of fracture, such as the brittle, fatigue, delayed and environmental fracture of metals and structural ceramics. The theoretical framework of this theory is given in this paper.展开更多
The Kibble-Zurek (KZ) effect offers an overarching description of dynamical scaling behavior near a critical point.[1,2] Originally proposed in a classical setup,the KZ effect has been generalized to quantum phase tra...The Kibble-Zurek (KZ) effect offers an overarching description of dynamical scaling behavior near a critical point.[1,2] Originally proposed in a classical setup,the KZ effect has been generalized to quantum phase transitions[3-5] and is actively explored on quantum simulation platforms.[6-9] Exploring how the KZ effect fares across different criticalities has proven to be a rewarding pursuit,significantly enriching our understanding of nonequilibrium quantum dynamics.[3-5,10-23]展开更多
The recently developed discrete Boltzmann method(DBM), which is based on a set of uniform linear evolution equations and has high parallel efficiency, is employed to investigate the dynamic nonequilibrium process of K...The recently developed discrete Boltzmann method(DBM), which is based on a set of uniform linear evolution equations and has high parallel efficiency, is employed to investigate the dynamic nonequilibrium process of Kelvin-Helmholtz instability(KHI). It is found that, the relaxation time always strengthens the global nonequilibrium(GNE), entropy of mixing, and free enthalpy of mixing. Specifically, as a combined effect of physical gradients and nonequilibrium area, the GNE intensity first increases but decreases during the whole life-cycle of KHI. The growth rate of entropy of mixing shows firstly reducing, then increasing, and finally decreasing trends during the KHI process. The trend of the free enthalpy of mixing is opposite to that of the entropy of mixing. Detailed explanations are:(i) Initially,binary diffusion smooths quickly the sharp gradient in the mole fraction, which results in a steeply decreasing mixing rate.(ii) Afterwards, the mixing process is significantly promoted by the increasing length of material interface in the evolution of the KHI.(iii) As physical gradients are smoothed due to the binary diffusion and dissipation, the mixing rate reduces and approaches zero in the final stage. Moreover, with the increasing Atwood number, the global strength of viscous stresses on the heavy(light) medium reduces(increases), because the heavy(light) medium has a relatively small(large) velocity change. Furthermore, for a smaller Atwood number, the peaks of nonequilibrium manifestations emerge earlier, the entropy of mixing and free enthalpy of mixing change faster, because the KHI initiates a higher growth rate.展开更多
According to the nonequilibrium solvation theory studies, a constrained equilibrium principle is introduced and applied to the derivations of the nonequilibrium solvation energy, and a reasonable expression of the spe...According to the nonequilibrium solvation theory studies, a constrained equilibrium principle is introduced and applied to the derivations of the nonequilibrium solvation energy, and a reasonable expression of the spectral shift of the electronic absorption spectra is deduced. Furthermore, the lowest transition of p-nitroaniline （pNA） in water is investigated by time-dependent density functional theory method. In addition, the details of excited state properties of pNA are discussed. Using our novel expression of the spectral shift, the value of -0.99 eV is obtained for π→π^＊ transition in water, which is in good agreement with the available experimental result of -0.98 eV.展开更多
The data obtained by bending tests for intergranular embrittlement after 45 h and 450 h exposure to Strauss solution have been reported for 304 stainless steel. The results show that an embrittlement peak appears at ...The data obtained by bending tests for intergranular embrittlement after 45 h and 450 h exposure to Strauss solution have been reported for 304 stainless steel. The results show that an embrittlement peak appears at 650℃ for all samples quenched from 1260℃ and then sensitized for 150 h at 480, 565, 650, 730, 815 and 900℃ respectively. The temperature corresponding to the embrittlement peak is decreased to 565℃ when the sensitizing time is prolonged to 1 500 h. In this paper, these data are analyzed with an isothermal kinetic model of nonequilibrium grain boundary segregation, indicating that the embrittlement peak is related to the critical time for nonequilibrium grain boundary segregation of sulfur.展开更多
When radionuclides migrate in porous media with water serving as carrier, the mechanism of sorption and desorption is not negligible. nonequilibrium conditions exist in sorption and desorption. In this paper,a numeric...When radionuclides migrate in porous media with water serving as carrier, the mechanism of sorption and desorption is not negligible. nonequilibrium conditions exist in sorption and desorption. In this paper,a numerical model of radionuclide migration with nonequilibrium sorption was developed.The algorithm of numerical descretizing and direct substituting was adopted in coupling of the convective-dispersive equation and the nonequilibrium sorption isotherm in this model ,and this makes it easier to solve the model numerically.A quantitative analysis is made for the first time that the influence of nonequilibrium sorption, represented by the rate coefficient which shows how quickly the nonequilibrium condition in sorption and desorption reaches equilibrium on the migration of radionuclide,and results show that it affects the migration perceptibly. Finally the model was verified by using the observed data of radionuclide migration test conducted in the field, and which clarified its availability.展开更多
The nonequilibrium diffusion of liquid aluminum atoms in cross direction in the innerpart of the solid steel base has been realized by using methods such as roughening steel plate surface, immersing flux on steel plat...The nonequilibrium diffusion of liquid aluminum atoms in cross direction in the innerpart of the solid steel base has been realized by using methods such as roughening steel plate surface, immersing flux on steel plate surface and short time diffusion, and the interface of solid steel and liquid aluminum under nonequilibrium diffusion in cross direction was formed by using rapid solidification. The interfacial structure was studied by means of electron probe microanalysis. The results showed that the interfacial structure of solid steel and liquid aluminum under nonequilibrium diffusion in cross direction is quite different from that of solid steel and liquid aluminum under conventional diffusion, that is, the interface of solid steel and liquid aluminum under nonequilibrium diffusion in cross direction is made up of groups of Al 13 Fe 4 teeth (which grew from the contact surface to steel base inner) at the bulges of steel plate surface and Fe Al solid solution (whose Al content is less than 3.5%) at the concaves of steel plate surface between the groups of Al 13 Fe 4 teeth.展开更多
Accurate aerodynamic heating prediction is of great significance to current manned space flight and deep space exploration missions.The temperature in the shock layer surrounding the reentry vehicle can reach up to 10...Accurate aerodynamic heating prediction is of great significance to current manned space flight and deep space exploration missions.The temperature in the shock layer surrounding the reentry vehicle can reach up to 10,000 K and result in remarkable thermochemical nonequilibrium,as well as considerable radiative heat transfer.In general,high-temperature flow simulations coupled with thermal radiation require appropriate numerical schemes and physical models.In this paper,the equations governing hypersonic nonequilibrium flow,based on a three-temperature model combined with a thermal radiation solving approach,are used to investigate the radiation effects in the reentry shock layer.An axisymmetric spherical case shows that coupling the flow-field simulation with radiation has a scarce influence on the convective heating prediction,but has some impact on the radiative heating calculation.In particular,for the Apollo capsule reentry,both the absorption coefficient and incident radiation are remarkable inside the shock layer.The radiative heating maximum reaches nearly 38%of that of the convective heating making a considerable contribution to the total aerodynamic heating.These results indicate that in the hypersonic regime,in order to account for the total heating,it is necessary to simulate the high-temperature thermochemical nonequilibrium flows coupled with thermal radiation.展开更多
How to accurately probe chemically reactive fiows with essential thermodynamic nonequilibrium effects is an open issue.Via the Chapman–Enskog analysis,the local nonequilibrium particle velocity distribution function ...How to accurately probe chemically reactive fiows with essential thermodynamic nonequilibrium effects is an open issue.Via the Chapman–Enskog analysis,the local nonequilibrium particle velocity distribution function is derived from the gas kinetic theory.It is demonstrated theoretically and numerically that the distribution function depends on the physical quantities and derivatives,and is independent of the chemical reactions directly as the chemical time scale is longer than the molecular relaxation time.Based on the simulation results of the discrete Boltzmann model,the departure between equilibrium and nonequilibrium distribution functions is obtained and analyzed around the detonation wave.In addition,it has been verified for the first time that the kinetic moments calculated by summations of the discrete distribution functions are close to those calculated by integrals of their original forms.展开更多
In virtue of Auger electron spectroscopy, the grain boundary concentrations of phosphorus in Ni-Cr-Fe superalloy are measured after solution treatment at 1 180 ℃ for 45 min. The results show that a peak of phosphorus...In virtue of Auger electron spectroscopy, the grain boundary concentrations of phosphorus in Ni-Cr-Fe superalloy are measured after solution treatment at 1 180 ℃ for 45 min. The results show that a peak of phosphorus concentration occurs at about 180 min during isothermal ageing at 500 ℃, and a maximum concentration of phosphorus appears also at about 500 ℃ for all specimens aged for 20 min at temperatures of 200, 400, 500, 700 and 800 ℃. The results are analyzed with the laws of nonequilibrium grain boundary segregation. It is found from the analysis that peaks are related to critical time for nonequilibrium grain boundary segregation of phosphorus.展开更多
To predict aeroheating performance of hypersonic vehicles accurately in thermochemical nonequilibrium flows accompanied by rarefaction effect,a Nonlinear Coupled Constitutive Relations(NCCR)model coupled with Gupta’s...To predict aeroheating performance of hypersonic vehicles accurately in thermochemical nonequilibrium flows accompanied by rarefaction effect,a Nonlinear Coupled Constitutive Relations(NCCR)model coupled with Gupta’s chemical models and Park’s two-temperature model is firstly proposed in this paper.Three typical cases are intensively investigated for further validation,including hypersonic flows over a two-dimensional cylinder,a RAM-C II flight vehicle and a type HTV-2 flight vehicle.The results predicted by NCCR solution,such as heat flux coefficient and electron number densities,are in better agreement with those of direct simulation Monte Carlo or flight data than Navier-Stokes equations,especially in the extremely nonequilibrium regions,which indicates the potential of the newly-developed solution to capture both thermochemical and rarefied nonequilibrium effects.The comparisons between the present solver and NCCR model without a two-temperature model are also conducted to demonstrate the significance of vibrational energy source term in the accurate simulation of high-Mach flows.展开更多
The accurate prediction of the aeroheating performance of hypersonic vehicles requires more detailed modeling of the catalysis process,rather than merely employing a catalytic coefficient.In this paper,the theoretical...The accurate prediction of the aeroheating performance of hypersonic vehicles requires more detailed modeling of the catalysis process,rather than merely employing a catalytic coefficient.In this paper,the theoretical modeling,as well as the direct simulation Monte Carlo method,is used to preliminarily study the incomplete chemical energy accommodation effects,that is,only a part of the potential energy released in the heterogenous recombination reaction is transferred to the surface,while the remaining is retained as the vibrational energy of the desorbed molecule.An integrated model is proposed to describe the contribution of each energy mode in the rarefied nonequilibrium heat and mass transfer process.Based on the model and several Damko?hler numbers,an analytical formula is derived,and is also shown to compare well with the numerical results.On account of the incomplete accommodations of the chemical and vibrational energy on the wall,a variation up to 20%is observed in predicting the stagnation point heat flux under typical nonequilibrium flow conditions.This study could enrich our understanding of the nonequilibrium heat transfer phenomenon and also shows a potential practical value.展开更多
The previously developed single-sweep parabolized Navier-Stokes （SSPNS） space marching code for ideal gas flows has been extended to compute chemically nonequilibrium flows. In the code, the strongly coupled set of ...The previously developed single-sweep parabolized Navier-Stokes （SSPNS） space marching code for ideal gas flows has been extended to compute chemically nonequilibrium flows. In the code, the strongly coupled set of gas dynamics, species conservation, and turbulence equations is integrated with the implicit lower-upper symmetric GaussSeidel （LU-SGS） method in the streamwise direction in a space marching manner. The AUSMPW＋ scheme is used to calculate the inviscid fluxes in the crossflow direction, while the conventional central scheme for the viscous fluxes. The k-g two-equation turbulence model is used. The revised SSPNS code is validated by computing the Burrows-Kurkov non-premixed H2/air supersonic combustion flows, premixed H2/air hypersonic combustion flows in a three-dimensional duct with a 15° compression ramp, as well as the hypersonic laminar chemically nonequilibrium air flows around two 10° half-angle cones. The results of these calculations are in good agreement with those of experiments, NASA UPS or Prabhu＇s PNS codes. It can be concluded that the SSPNS code is highly efficient for steady supersonic/ hypersonic chemically reaction flows when there is no large streamwise separation.展开更多
Two-dimensional（2D） numerical simulations of thermochemical nonequilibrium inductively coupled plasma（ICP） flows inside a 10-kW inductively coupled plasma wind tunnel（ICPWT） were carried out with nitrogen as the...Two-dimensional（2D） numerical simulations of thermochemical nonequilibrium inductively coupled plasma（ICP） flows inside a 10-kW inductively coupled plasma wind tunnel（ICPWT） were carried out with nitrogen as the working gas.Compressible axisymmetric NavierStokes（N-S） equations coupled with magnetic vector potential equations were solved.A fourtemperature model including an improved electron-vibration relaxation time was used to model the internal energy exchange between electron and heavy particles.The third-order accuracy electron transport properties（3rd AETP） were applied to the simulations.A hybrid chemical kinetic model was adopted to model the chemical nonequilibrium process.The flow characteristics such as thermal nonequilibrium,inductive discharge,effects of Lorentz force were made clear through the present study.It was clarified that the thermal nonequilibrium model played an important role in properly predicting the temperature field.The prediction accuracy can be improved by applying the 3rd AETP to the simulation for this ICPWT.展开更多
The direct motion of Brownian particle is considered as a result of system derived by external nonequilibriumfluctuating. The cooperative effects caused by asymmetric ratchet potential, external rocking force and addi...The direct motion of Brownian particle is considered as a result of system derived by external nonequilibriumfluctuating. The cooperative effects caused by asymmetric ratchet potential, external rocking force and additive colorednoise drive a Brownian particle in the directed stepping motion. This provides this kind of motion of kinesin along amicrotubule observed in experiments with a reasonable explanation.展开更多
Kinetic effects in the inertial confinement fusion ignition process are far from clear.In this work,we study the Richtmyer-Meshkov instability and reshock processes by using a two-fluid discrete Boltzmann method.The w...Kinetic effects in the inertial confinement fusion ignition process are far from clear.In this work,we study the Richtmyer-Meshkov instability and reshock processes by using a two-fluid discrete Boltzmann method.The work begins by interpreting the experiment conducted by Collins and Jacobs(2002,J.Fluid Mech.464,113-136).It shows that the shock wave causes substances in close proximity to the substance interface to deviate more significantly from their thermodynamic equilibrium state.The thermodynamic non-equilibrium(TNE)quantities exhibit complex but inspiring kinetic effects in the shock process and behind the shock front.The kinetic effects are detected by two sets of TNE quantities.The first set includes∣Δ_(2)^(*)∣,∣Δ_(3,1)^(*),∣Δ_(3)^(*)∣,and∣Δ_(4,2)^(*)∣,which correspond to the intensities of the non-organized momentum Flux(NOMF),Non-Organized Energy Flux(NOEF),the flux of NOMF and the flux of NOEF.All four TNE measures abruptly increase in the shock process.The second set of TNE quantities includes■_(NOMF),■_(NOEF)and■_(sum),which denote the entropy production rates due to NOMF,NOEF and their summation,respectively.The mixing zone is the primary contributor to■_(NOEF),while the flow field region outside of the mixing zone is the primary contributor to■_(NOMF).Additionally,each substance exhibits different behaviors in terms of entropy production rate,and the lighter fluid has a higher entropy production rate than the heavier fluid.展开更多
Abstract We propose a simple and effective boundary model in a nonequilibrium molecular dynamics （NEMD） simulation to study the out-of-equilibrium dynamics of polymer fluids. The present boundary model can effective...Abstract We propose a simple and effective boundary model in a nonequilibrium molecular dynamics （NEMD） simulation to study the out-of-equilibrium dynamics of polymer fluids. The present boundary model can effectively weaken the depletion effect and the slip effect near the boundary, and remove the unwanted heat instantly. The validity of the boundary model is checked by investigating the flow behavior of dilute polymer solution driven by an external force. Reasonable density distributions of both polymer and solvent particles, velocity profiles of the solvent and temperature profiles of the system are obtained. Furthermore, the studied polymer chain shows a cross-streaming migration towards center of the tube, which is consistent with that predicted in previous literatures. These numerical results give powerful evidences for the validity of the present boundary model. Besides, the boundary model can also be used in other flows in addition to the Poiseuille flow.展开更多
The influence of chemical nonequilibrium on the thermal characteristics is explored by using the 2Dhybrid grid direct simulation Monte Carlo(DSMC)parallel method.An improved molecule search algorithm is proposed,which...The influence of chemical nonequilibrium on the thermal characteristics is explored by using the 2Dhybrid grid direct simulation Monte Carlo(DSMC)parallel method.An improved molecule search algorithm is proposed,which can preserve the high efficiency of area search algorithm.This method can overcome the defects of area search algorithm,and give all information about molecules hitting surface.The heat flux calculation method for a rarefied hypersonic flow is established.In addition,the testing methods of chemical reaction probability for five species of mixed gas with limited speed chemical reactions are also selected.To validate the effectiveness of the present method,hypersonic flow around a cylinder is firstly simulated,and subsequently numerical simulations of the heat flux and flow field characteristics around the blunt body at different heights are carried out in two different cases:the thermal nonequilibrium condition and the thermochemical nonequilibrium condition.Numerical results demonstrate the validity and reliability of the proposed methods.展开更多
We briefly introduce the quantum Jarzynski and Bochkov-Kuzovlev equalities .in isolated quantum Hamiltonian sys- tems, including their origin, their derivations using a quantum Feynman-Kac formula, the quantum Crooks ...We briefly introduce the quantum Jarzynski and Bochkov-Kuzovlev equalities .in isolated quantum Hamiltonian sys- tems, including their origin, their derivations using a quantum Feynman-Kac formula, the quantum Crooks equality, the evolution equations governing the characteristic functions of the probability density functions for the quantum work, and recent experimental verifications. Some resultsare given here for the first time. We particularly emphasize the formally structural consistence between these quantum equalities and their classical counterparts, which are useful for understanding the existing equalities and pursuing new fluctuation relations in other complex quantum systems.展开更多
文摘In order to study the influence of microstructural texture on the growth of short fatigue cracks in metals, the nonequilibrium statistical theory of fatigue fracture correlating a microscopic mechanism with the macroscopic properties is modified to take into consideration the microstructural features of a material, thereby allowing a rationalisation of the experimental data of short fatigue crack growth and long fatigue crack growth. The nonequilibrium statistical theory thus developed relates the growth of cracks with a dislocation mechanism to simulate short fatigue crack growth with the long fatigue crack growth behaviour and predicts the fatigue crack growth rates throughout the fatigue lifetime. The results is finally compared with that of other fatigue theories.
文摘Nonequilibrium statistical theory of fracture is a theory of fracture that macromechanical quantities can be derived from the microscopic atomic mechanism of microcrack(or microvoid)evolution kinetcs by means of nonequilibrium statistical physical concepts and methods. The microcrack evolution equation is the central equation in the theory.The coefficents of the equation, the microcrack growth rate and the microcrack nucleation rate,come from microscopic atomic mechanism.The solution of the equation connects with macromechanical quantities by the model of the weakest chain. All the other formulas and quantities, for instance, distribution function,fracture probability, reliability, failure rate and macromechanical quantities such as strength, toughness, life etc. and their statistical distribution function and statistical fluctuation are derived in a unified fashion and expressed by a few physical parameters. This theory can be widely applied to various kinds of fracture, such as the brittle, fatigue, delayed and environmental fracture of metals and structural ceramics. The theoretical framework of this theory is given in this paper.
文摘The Kibble-Zurek (KZ) effect offers an overarching description of dynamical scaling behavior near a critical point.[1,2] Originally proposed in a classical setup,the KZ effect has been generalized to quantum phase transitions[3-5] and is actively explored on quantum simulation platforms.[6-9] Exploring how the KZ effect fares across different criticalities has proven to be a rewarding pursuit,significantly enriching our understanding of nonequilibrium quantum dynamics.[3-5,10-23]
基金Supported by the Natural Science Foundation of China under Grant Nos.91441120,51806116,11875001,and 11602162the China Postdoctoral Science Foundation under Grant No.2017M620757+2 种基金the Center for Combustion Energy at Tsinghua Universitythe Natural Science Foundation of Hebei Province under Grant Nos.A2017409014,ZD2017001,and A201500111the UK Engineering and Physical Sciences Research Council under Project UK Consortium on Mesoscale Engineering Sciences(UKCOMES)under Grant Nos.EP/L00030X/1 and EP/R029598/1
文摘The recently developed discrete Boltzmann method(DBM), which is based on a set of uniform linear evolution equations and has high parallel efficiency, is employed to investigate the dynamic nonequilibrium process of Kelvin-Helmholtz instability(KHI). It is found that, the relaxation time always strengthens the global nonequilibrium(GNE), entropy of mixing, and free enthalpy of mixing. Specifically, as a combined effect of physical gradients and nonequilibrium area, the GNE intensity first increases but decreases during the whole life-cycle of KHI. The growth rate of entropy of mixing shows firstly reducing, then increasing, and finally decreasing trends during the KHI process. The trend of the free enthalpy of mixing is opposite to that of the entropy of mixing. Detailed explanations are:(i) Initially,binary diffusion smooths quickly the sharp gradient in the mole fraction, which results in a steeply decreasing mixing rate.(ii) Afterwards, the mixing process is significantly promoted by the increasing length of material interface in the evolution of the KHI.(iii) As physical gradients are smoothed due to the binary diffusion and dissipation, the mixing rate reduces and approaches zero in the final stage. Moreover, with the increasing Atwood number, the global strength of viscous stresses on the heavy(light) medium reduces(increases), because the heavy(light) medium has a relatively small(large) velocity change. Furthermore, for a smaller Atwood number, the peaks of nonequilibrium manifestations emerge earlier, the entropy of mixing and free enthalpy of mixing change faster, because the KHI initiates a higher growth rate.
基金ACKNOWLEDGMENTS This work was supported Science Foundation of China by the National Natural （No.91016002）.
文摘According to the nonequilibrium solvation theory studies, a constrained equilibrium principle is introduced and applied to the derivations of the nonequilibrium solvation energy, and a reasonable expression of the spectral shift of the electronic absorption spectra is deduced. Furthermore, the lowest transition of p-nitroaniline （pNA） in water is investigated by time-dependent density functional theory method. In addition, the details of excited state properties of pNA are discussed. Using our novel expression of the spectral shift, the value of -0.99 eV is obtained for π→π^＊ transition in water, which is in good agreement with the available experimental result of -0.98 eV.
基金Item Sponsored by National Natural Science Foundation of China(50771036,51001030)
文摘The data obtained by bending tests for intergranular embrittlement after 45 h and 450 h exposure to Strauss solution have been reported for 304 stainless steel. The results show that an embrittlement peak appears at 650℃ for all samples quenched from 1260℃ and then sensitized for 150 h at 480, 565, 650, 730, 815 and 900℃ respectively. The temperature corresponding to the embrittlement peak is decreased to 565℃ when the sensitizing time is prolonged to 1 500 h. In this paper, these data are analyzed with an isothermal kinetic model of nonequilibrium grain boundary segregation, indicating that the embrittlement peak is related to the critical time for nonequilibrium grain boundary segregation of sulfur.
文摘When radionuclides migrate in porous media with water serving as carrier, the mechanism of sorption and desorption is not negligible. nonequilibrium conditions exist in sorption and desorption. In this paper,a numerical model of radionuclide migration with nonequilibrium sorption was developed.The algorithm of numerical descretizing and direct substituting was adopted in coupling of the convective-dispersive equation and the nonequilibrium sorption isotherm in this model ,and this makes it easier to solve the model numerically.A quantitative analysis is made for the first time that the influence of nonequilibrium sorption, represented by the rate coefficient which shows how quickly the nonequilibrium condition in sorption and desorption reaches equilibrium on the migration of radionuclide,and results show that it affects the migration perceptibly. Finally the model was verified by using the observed data of radionuclide migration test conducted in the field, and which clarified its availability.
文摘The nonequilibrium diffusion of liquid aluminum atoms in cross direction in the innerpart of the solid steel base has been realized by using methods such as roughening steel plate surface, immersing flux on steel plate surface and short time diffusion, and the interface of solid steel and liquid aluminum under nonequilibrium diffusion in cross direction was formed by using rapid solidification. The interfacial structure was studied by means of electron probe microanalysis. The results showed that the interfacial structure of solid steel and liquid aluminum under nonequilibrium diffusion in cross direction is quite different from that of solid steel and liquid aluminum under conventional diffusion, that is, the interface of solid steel and liquid aluminum under nonequilibrium diffusion in cross direction is made up of groups of Al 13 Fe 4 teeth (which grew from the contact surface to steel base inner) at the bulges of steel plate surface and Fe Al solid solution (whose Al content is less than 3.5%) at the concaves of steel plate surface between the groups of Al 13 Fe 4 teeth.
基金supported by the Shandong Provincial Natural Science Foundation,China(No.ZR2019QA018)the Advanced Research Project(No.61402060301).
文摘Accurate aerodynamic heating prediction is of great significance to current manned space flight and deep space exploration missions.The temperature in the shock layer surrounding the reentry vehicle can reach up to 10,000 K and result in remarkable thermochemical nonequilibrium,as well as considerable radiative heat transfer.In general,high-temperature flow simulations coupled with thermal radiation require appropriate numerical schemes and physical models.In this paper,the equations governing hypersonic nonequilibrium flow,based on a three-temperature model combined with a thermal radiation solving approach,are used to investigate the radiation effects in the reentry shock layer.An axisymmetric spherical case shows that coupling the flow-field simulation with radiation has a scarce influence on the convective heating prediction,but has some impact on the radiative heating calculation.In particular,for the Apollo capsule reentry,both the absorption coefficient and incident radiation are remarkable inside the shock layer.The radiative heating maximum reaches nearly 38%of that of the convective heating making a considerable contribution to the total aerodynamic heating.These results indicate that in the hypersonic regime,in order to account for the total heating,it is necessary to simulate the high-temperature thermochemical nonequilibrium flows coupled with thermal radiation.
基金supported by the National Natural Science Foundation of China(NSFC)under Grant Nos.51806116 and 11875001。
文摘How to accurately probe chemically reactive fiows with essential thermodynamic nonequilibrium effects is an open issue.Via the Chapman–Enskog analysis,the local nonequilibrium particle velocity distribution function is derived from the gas kinetic theory.It is demonstrated theoretically and numerically that the distribution function depends on the physical quantities and derivatives,and is independent of the chemical reactions directly as the chemical time scale is longer than the molecular relaxation time.Based on the simulation results of the discrete Boltzmann model,the departure between equilibrium and nonequilibrium distribution functions is obtained and analyzed around the detonation wave.In addition,it has been verified for the first time that the kinetic moments calculated by summations of the discrete distribution functions are close to those calculated by integrals of their original forms.
基金Item Sponsored by National Natural Science Foundation of China(50771036,51001030)
文摘In virtue of Auger electron spectroscopy, the grain boundary concentrations of phosphorus in Ni-Cr-Fe superalloy are measured after solution treatment at 1 180 ℃ for 45 min. The results show that a peak of phosphorus concentration occurs at about 180 min during isothermal ageing at 500 ℃, and a maximum concentration of phosphorus appears also at about 500 ℃ for all specimens aged for 20 min at temperatures of 200, 400, 500, 700 and 800 ℃. The results are analyzed with the laws of nonequilibrium grain boundary segregation. It is found from the analysis that peaks are related to critical time for nonequilibrium grain boundary segregation of phosphorus.
基金financially co-supported by the National Natural Science Foundation of China(Nos.12002306,U20B2007,11572284 and 6162790014)National Numerical Wind Tunnel Project,China(No.NNW2019ZT3-A08)。
文摘To predict aeroheating performance of hypersonic vehicles accurately in thermochemical nonequilibrium flows accompanied by rarefaction effect,a Nonlinear Coupled Constitutive Relations(NCCR)model coupled with Gupta’s chemical models and Park’s two-temperature model is firstly proposed in this paper.Three typical cases are intensively investigated for further validation,including hypersonic flows over a two-dimensional cylinder,a RAM-C II flight vehicle and a type HTV-2 flight vehicle.The results predicted by NCCR solution,such as heat flux coefficient and electron number densities,are in better agreement with those of direct simulation Monte Carlo or flight data than Navier-Stokes equations,especially in the extremely nonequilibrium regions,which indicates the potential of the newly-developed solution to capture both thermochemical and rarefied nonequilibrium effects.The comparisons between the present solver and NCCR model without a two-temperature model are also conducted to demonstrate the significance of vibrational energy source term in the accurate simulation of high-Mach flows.
基金supported by the National Natural Science Foundation of China (Nos. 11672292 and 12072343)the Youth Innovation Promotion Association of Chinese Academy of Sciences (No. 2017490)the Strategic Priority Research Program (B) of Chinese Academy of Sciences (No. XDB22040202)
文摘The accurate prediction of the aeroheating performance of hypersonic vehicles requires more detailed modeling of the catalysis process,rather than merely employing a catalytic coefficient.In this paper,the theoretical modeling,as well as the direct simulation Monte Carlo method,is used to preliminarily study the incomplete chemical energy accommodation effects,that is,only a part of the potential energy released in the heterogenous recombination reaction is transferred to the surface,while the remaining is retained as the vibrational energy of the desorbed molecule.An integrated model is proposed to describe the contribution of each energy mode in the rarefied nonequilibrium heat and mass transfer process.Based on the model and several Damko?hler numbers,an analytical formula is derived,and is also shown to compare well with the numerical results.On account of the incomplete accommodations of the chemical and vibrational energy on the wall,a variation up to 20%is observed in predicting the stagnation point heat flux under typical nonequilibrium flow conditions.This study could enrich our understanding of the nonequilibrium heat transfer phenomenon and also shows a potential practical value.
基金supported by the National Natural Science Foundation of China (51176003)
文摘The previously developed single-sweep parabolized Navier-Stokes （SSPNS） space marching code for ideal gas flows has been extended to compute chemically nonequilibrium flows. In the code, the strongly coupled set of gas dynamics, species conservation, and turbulence equations is integrated with the implicit lower-upper symmetric GaussSeidel （LU-SGS） method in the streamwise direction in a space marching manner. The AUSMPW＋ scheme is used to calculate the inviscid fluxes in the crossflow direction, while the conventional central scheme for the viscous fluxes. The k-g two-equation turbulence model is used. The revised SSPNS code is validated by computing the Burrows-Kurkov non-premixed H2/air supersonic combustion flows, premixed H2/air hypersonic combustion flows in a three-dimensional duct with a 15° compression ramp, as well as the hypersonic laminar chemically nonequilibrium air flows around two 10° half-angle cones. The results of these calculations are in good agreement with those of experiments, NASA UPS or Prabhu＇s PNS codes. It can be concluded that the SSPNS code is highly efficient for steady supersonic/ hypersonic chemically reaction flows when there is no large streamwise separation.
基金supported by Grant-in-Aid for Scientific Research(No.23560954)sponsored by the Japan Society for the Promotion of Science
文摘Two-dimensional（2D） numerical simulations of thermochemical nonequilibrium inductively coupled plasma（ICP） flows inside a 10-kW inductively coupled plasma wind tunnel（ICPWT） were carried out with nitrogen as the working gas.Compressible axisymmetric NavierStokes（N-S） equations coupled with magnetic vector potential equations were solved.A fourtemperature model including an improved electron-vibration relaxation time was used to model the internal energy exchange between electron and heavy particles.The third-order accuracy electron transport properties（3rd AETP） were applied to the simulations.A hybrid chemical kinetic model was adopted to model the chemical nonequilibrium process.The flow characteristics such as thermal nonequilibrium,inductive discharge,effects of Lorentz force were made clear through the present study.It was clarified that the thermal nonequilibrium model played an important role in properly predicting the temperature field.The prediction accuracy can be improved by applying the 3rd AETP to the simulation for this ICPWT.
文摘The direct motion of Brownian particle is considered as a result of system derived by external nonequilibriumfluctuating. The cooperative effects caused by asymmetric ratchet potential, external rocking force and additive colorednoise drive a Brownian particle in the directed stepping motion. This provides this kind of motion of kinesin along amicrotubule observed in experiments with a reasonable explanation.
基金supported by the National Natural Science Foundation of China(under Grant Nos.12172061,11875001,11575033,and 11975053)the opening project of the State Key Laboratory of Explosion Science and Technology(Beijing Institute of Technology)(under Grant No.KFJJ23-02M)+1 种基金Foundation of National Key Laboratory of Shock Wave and Detonation Physicsthe Foundation of National Key Laboratory of Computational Physics
文摘Kinetic effects in the inertial confinement fusion ignition process are far from clear.In this work,we study the Richtmyer-Meshkov instability and reshock processes by using a two-fluid discrete Boltzmann method.The work begins by interpreting the experiment conducted by Collins and Jacobs(2002,J.Fluid Mech.464,113-136).It shows that the shock wave causes substances in close proximity to the substance interface to deviate more significantly from their thermodynamic equilibrium state.The thermodynamic non-equilibrium(TNE)quantities exhibit complex but inspiring kinetic effects in the shock process and behind the shock front.The kinetic effects are detected by two sets of TNE quantities.The first set includes∣Δ_(2)^(*)∣,∣Δ_(3,1)^(*),∣Δ_(3)^(*)∣,and∣Δ_(4,2)^(*)∣,which correspond to the intensities of the non-organized momentum Flux(NOMF),Non-Organized Energy Flux(NOEF),the flux of NOMF and the flux of NOEF.All four TNE measures abruptly increase in the shock process.The second set of TNE quantities includes■_(NOMF),■_(NOEF)and■_(sum),which denote the entropy production rates due to NOMF,NOEF and their summation,respectively.The mixing zone is the primary contributor to■_(NOEF),while the flow field region outside of the mixing zone is the primary contributor to■_(NOMF).Additionally,each substance exhibits different behaviors in terms of entropy production rate,and the lighter fluid has a higher entropy production rate than the heavier fluid.
基金financially supported by the National Basic Research Program of China(973 Program,2012CB821500)supported by the National Natural Science Foundation of China(Nos.21222407,21104082 and 21474111)
文摘Abstract We propose a simple and effective boundary model in a nonequilibrium molecular dynamics （NEMD） simulation to study the out-of-equilibrium dynamics of polymer fluids. The present boundary model can effectively weaken the depletion effect and the slip effect near the boundary, and remove the unwanted heat instantly. The validity of the boundary model is checked by investigating the flow behavior of dilute polymer solution driven by an external force. Reasonable density distributions of both polymer and solvent particles, velocity profiles of the solvent and temperature profiles of the system are obtained. Furthermore, the studied polymer chain shows a cross-streaming migration towards center of the tube, which is consistent with that predicted in previous literatures. These numerical results give powerful evidences for the validity of the present boundary model. Besides, the boundary model can also be used in other flows in addition to the Poiseuille flow.
基金supported by the National Defense Basic Research Program during the Twelfth Five-Year Plan Period
文摘The influence of chemical nonequilibrium on the thermal characteristics is explored by using the 2Dhybrid grid direct simulation Monte Carlo(DSMC)parallel method.An improved molecule search algorithm is proposed,which can preserve the high efficiency of area search algorithm.This method can overcome the defects of area search algorithm,and give all information about molecules hitting surface.The heat flux calculation method for a rarefied hypersonic flow is established.In addition,the testing methods of chemical reaction probability for five species of mixed gas with limited speed chemical reactions are also selected.To validate the effectiveness of the present method,hypersonic flow around a cylinder is firstly simulated,and subsequently numerical simulations of the heat flux and flow field characteristics around the blunt body at different heights are carried out in two different cases:the thermal nonequilibrium condition and the thermochemical nonequilibrium condition.Numerical results demonstrate the validity and reliability of the proposed methods.
基金supported by the National Natural Science Foundation of China (Grant No. 11174025)
文摘We briefly introduce the quantum Jarzynski and Bochkov-Kuzovlev equalities .in isolated quantum Hamiltonian sys- tems, including their origin, their derivations using a quantum Feynman-Kac formula, the quantum Crooks equality, the evolution equations governing the characteristic functions of the probability density functions for the quantum work, and recent experimental verifications. Some resultsare given here for the first time. We particularly emphasize the formally structural consistence between these quantum equalities and their classical counterparts, which are useful for understanding the existing equalities and pursuing new fluctuation relations in other complex quantum systems.
