A novel approach based on the quantitative phase field model was proposed to calculate the interface mobility and applied to the α/β interface of a ternary Ti-6Al-4V alloy.Phase field simulations indicate that the h...A novel approach based on the quantitative phase field model was proposed to calculate the interface mobility and applied to the α/β interface of a ternary Ti-6Al-4V alloy.Phase field simulations indicate that the higher interface mobility leads to the faster transformation rate,but only a unique value of interface mobility matches the diffusion equation under the diffusion-controlled condition.By comparing the transformation kinetics from phase field simulations with that from classical diffusion equation,the interface mobility at different temperatures can be obtained.The results show that the calculated interface mobility increases with increasing temperature and accords with Arrhenius equation very well.展开更多
The accelerating factor (AF) method is a simple and appropriate way to investigate the atomic long-time deep diffusion at solid-solid interface. In the framework of AF hyperdynamics (HD) simulation, the relationsh...The accelerating factor (AF) method is a simple and appropriate way to investigate the atomic long-time deep diffusion at solid-solid interface. In the framework of AF hyperdynamics (HD) simulation, the relationship between the diffusion coefficient along the direction of z-axis which is normal to the Mg/Zn interface and temperature was investigated, and the AF's impact on the diffusion constant (D0) and activation energy (Q^*) was studied. Then, two steps were taken to simulate the atomic diffusion process and the formation of new phases: one for acceleration and the other for equilibration. The results show that: the Arrhenius equation works well for the description of Dz with different accelerating factors; the AF has no effect on the diffusion constant Do in the case of no phase transition; and the relationship between Q* and Q conforms to Q^*=Q/A. Then, the new Arrhenius equation for AFHD is successfully constructed as Dz=Doexp[-Q/(ART)]. Meanwhile, the authentic equilibrium conformations at any dynamic moment can only be reproduced by the equilibration simulation of the HD-simulated configurations. Key words: accelerating factor method; Arrhenius equation; two-steps scheme; Mg/Zn interface; hyperdynamic simulation展开更多
The objective of this work was to investigate the thermal and mechanical interactions between the two components of a compound squeeze cast macrocomposite bimetal. First, an Al/Al-4.5wt.%Cu macrocomposite bimetal was ...The objective of this work was to investigate the thermal and mechanical interactions between the two components of a compound squeeze cast macrocomposite bimetal. First, an Al/Al-4.5wt.%Cu macrocomposite bimetal was fabricated by compound squeeze casting process. Then, heat transfer, solidification and distribution of the generated stresses along the interface region of the bimetal were analyzed using Thermo-Calc, ProCAST and ANSYS softwares, and structure, copper distribution and microhardness changes across the interface of the bimetal were studied. The results showed no noticeable change in the structure of the Al-4.5wt.%Cu insert and no obvious micromixing and diffusion of copper across the interface. Simulation results were in good agreement with the experimental ones only when an equivalent oxide layer at the interface was defined and its effect on heat transfer was considered. This layer caused up to 50% decrease in local liquid fraction formed on the surface of the insert. Simulation of the generated stresses showed a uniformly distributed stress along the interface which was significantly lower than the compressive strength of the oxide layer, resulting in its good stability during the fabrication process. It was postulated that this continuous oxide layer not only acted as a thermal barrier but prevented the direct metal-metal contact along the interface as well.展开更多
The electrical contact and mechanical performances of Ag-SnO_(2) contact materials are often improved by additives,especially Cu and its oxides.To reveal the improvement mechanism of metal additive,the effects of Cu n...The electrical contact and mechanical performances of Ag-SnO_(2) contact materials are often improved by additives,especially Cu and its oxides.To reveal the improvement mechanism of metal additive,the effects of Cu nanoparticles on the interface strength and failure behavior of the Ag-SnO_(2) contact materials are investigated by numerical simulations and experiments.Three-dimensional representative volume element(RVE)models for the Ag-SnO_(2) materials without and with Cu nanoparticles are established,and the cohesive zone model is used to simulate the interface debonding process.The results show that the stress−strain relationships and failure modes predicted by the simulation agree well with the experimental ones.The adhesion strengths of the Ag/SnO_(2) and Ag/Cu interfaces are respectively predicted to be 100 and 450 MPa through the inverse method.It is found that the stress concentration around the SnO_(2) phase is the primary reason for the interface debonding,which leads to the failure of Ag-SnO_(2) contact material.The addition of Cu particles not only improves the interface strength,but also effectively suppresses the initiation and propagation of cracks.The results have an reference value for improving the processability of Ag based contact materials.展开更多
Ultrasonic leaky Lamb waves are sensitive to defects and debonding in multilayer media. In this study, we use the finite-difference method to simulate the response of flexural waves in the presence of defects owing to...Ultrasonic leaky Lamb waves are sensitive to defects and debonding in multilayer media. In this study, we use the finite-difference method to simulate the response of flexural waves in the presence of defects owing to casing corrosion and rough fluctuations at the cement-formation interface. The ultrasonic obliquely incidence could effectively stimulate the flexural waves. The defects owing to casing corrosion change the amplitude of the early- arrival flexural wave, which gradually decrease with increasing defect thickness on the exterior walls and is the lowest when the defect length and wavelength were comparable. The scattering at the defects decreases the energy of flexural waves in the casing that leaks directly to fluids. For rough cement-formation interface, the early-arrival flexural waves do not change, whereas the late-arrival flexural waves have reduced amplitude owing to the scattering at rough interface.展开更多
The predictive capacity of numerical analyses in geotechnical engineering depends strongly on the efficiency of constitutive models used for modeling of interfaces behavior.Interfaces are considered as thin layers of ...The predictive capacity of numerical analyses in geotechnical engineering depends strongly on the efficiency of constitutive models used for modeling of interfaces behavior.Interfaces are considered as thin layers of the soil adjacent to structures boundary whose major role is transferring loads from structures to soil masses.An interface model within the bounding surface plasticity framework and the critical state soil mechanics is presented.To this aim,general formulation of the interface model according to the bounding surface plasticity theory is described first.Similar to granular soils,it has been shown that the mechanical behavior of sand-structure interfaces is highly affected by the interface state that is the combined influences of density and applied normal stress.Therefore,several ingredients of the model are directly related to the interface state.As a result of this feature,the model is enabled to distinguish interfaces in dense state from those in loose state and to provide realistic predictions over wide ranges of density and normal stress values.In evaluation of the model,a reasonable correspondence between the model predictions and the experimental data of various research teams is found.展开更多
Isothermal solidification process of a dissimilar transient liquid phase (TLP) bonding of FSX-414/MBF80/IN738 system was simulated by finite difference method. The TLP joint model was divided into two parts and a mo...Isothermal solidification process of a dissimilar transient liquid phase (TLP) bonding of FSX-414/MBF80/IN738 system was simulated by finite difference method. The TLP joint model was divided into two parts and a moving liquid /solid interface model was used for the parts. Diffusion equations were solved for each half of the joints simultaneously up to the end of isothermal solidification. The completion time of isothermal solidification, concentration profiles and position of the solid/liquid interface for each half were calculated. The intersection of the solid/liquid interfaces of two halves was considered the end of isothermal solidification. To obtain some required diffusion data, TLP bonding of FSX-414/MBF80/IN738 was performed at different temperature and time under vacuum atmosphere. The calculated results show good agreement with the experimental results.展开更多
Concentration gradient induced Rayleigh convection can influence effectively interracial mass transfer processes, but the convection phenomena are known as mesoscopic and complex. In order to investigate this phenomen...Concentration gradient induced Rayleigh convection can influence effectively interracial mass transfer processes, but the convection phenomena are known as mesoscopic and complex. In order to investigate this phenomenon, a two-equation Lattice Boltzmann Method (LBM) is proposed to simulate the velocity and the concentra-tion distributions of Rayleigh convection generated in the CO2 absorptlon into ethanol liquid.The simulated results on velocity distributions are experimentally verified by PIV (particle image velocimetry technique) measurements. In order to simplify the analysis, the convection in the simulation as well as in the experiment, the Rayleigh convection was manipulated into a single down flow pattern, The simulated results show that the concentration contours agree qualitatively with the schlieren images in the literature. The experimental and simulated results show that theRayleigh convection under investigation is dominated by the flow in the downward direction and impels exchange of the liquid between the interfacial vicinity and the liquid bulk promoting the renewal of interfacial liquid, and hence enhances mass transfer. The comparison between the simulated and experimental results demonstrated that the proposed LBM is a promising alternative for simulating mass transfer induced Rayleigh convection.展开更多
Better understanding of the role of vegetation and soil on hydraulic resistance of overland flow requires quantitative partition of their interaction. In this paper, a total of 144 hydraulic flume experiments were car...Better understanding of the role of vegetation and soil on hydraulic resistance of overland flow requires quantitative partition of their interaction. In this paper, a total of 144 hydraulic flume experiments were carried out to investigate the hydraulic characteristics of overland flow. Results show that hydraulic resistance is negatively correlated with Reynolds number on non-simulated vegetated slopes, while positively on vegetated slopes. The law of composite resistance agrees with the dominant resistance, depending on simulated vegetation stem,surface roughness, and discharge. Surface roughness has greater influence on overland flow resistance than vegetation stem when unit discharge is lower than the low-limited critical discharge, while vegetation has a more obvious influence when unit discharge is higher than the upper-limited critical discharge. Combined effects of simulated vegetation and surface roughness are unequal to the sum of the individual effects through t-test, implying the limitation of using linear superposition principle in calculating overland flow resistances under combined effect of roughness elements.展开更多
Monte Carlo simulations were used to investigate the compatibilizing behaviors of multi-block copolymers with different architectures in A/B/(block copolymer) ternary blends. The volume fraction of homopolymer A, em...Monte Carlo simulations were used to investigate the compatibilizing behaviors of multi-block copolymers with different architectures in A/B/(block copolymer) ternary blends. The volume fraction of homopolymer A, employed as the dispersed phase, was 19%. The simulations illustrate how a di- or multi-block copolymer aggregates at the interfaces and influences the phase behaviour of such incompatible polymer blends. The di-block copolymer chains tend to "stand" on the interface whereas the multi-block chains lie on the interface. In comparison with the di-block copolymer, the block copolymers with 4, or 10 blocks can occupy more areas on the interface, and thus the multi-block copolymers have higher efficiency for the retardation of the phase separation.展开更多
Numerical simulations based on a new regularized phase-field model were presented, to simulate the solidification of hexagonal close-packed materials with strong interfacial energy anisotropies. Results show that the ...Numerical simulations based on a new regularized phase-field model were presented, to simulate the solidification of hexagonal close-packed materials with strong interfacial energy anisotropies. Results show that the crystal grows into facet dendrites,displaying six-fold symmetry. The size of initial crystals has an effect on the branching-off of the principal branch tip along the<100> direction, which is eliminated by setting the b/a(a and b are the semi-major and semi-minor sizes in the initial elliptical crystals, respectively) value to be less than or equal to 1. With an increase in the undercooling value, the equilibrium morphology of the crystal changes from a star-like shape to facet dendrites without side branches. The steady-state tip velocity increases exponentially when the dimensionless undercooling is below the critical value. With a further increase in the undercooling value, the equilibrium morphology of the crystal grows into a developed side-branch structure, and the steady-state tip velocity of the facet dendrites increases linearly. The facet dendrite growth has controlled diffusion and kinetics.展开更多
The inverse heat conduction method is one of methods to identify the casting simulation parameters. A new inverse method was presented according to the Tikhonov regularization theory. One appropriate regularized funct...The inverse heat conduction method is one of methods to identify the casting simulation parameters. A new inverse method was presented according to the Tikhonov regularization theory. One appropriate regularized functional was established, and the functional was solved by the sensitivity coefficient and Newtonaphson iteration method. Moreover, the orthogonal experimental design was used to estimate the appropriate initial value and variation domain of each variable to decrease the number of iteration and improve the identification accuracy and efficiency. It illustrated a detailed case of AlSiTMg sand mold casting and the temperature measurement experiment was done. The physical properties of sand mold and the interracial heat transfer coefficient were identified at the meantime. The results indicated that the new regularization method was efficient in overcoming the ill-posedness of the inverse heat conduction problem and improving the stability and accuracy of the solutions.展开更多
基金Project (51101059) supported by the National Natural Science Foundation of ChinaProject (20110490874) supported by the China Postdoctoral Science Foundation
文摘A novel approach based on the quantitative phase field model was proposed to calculate the interface mobility and applied to the α/β interface of a ternary Ti-6Al-4V alloy.Phase field simulations indicate that the higher interface mobility leads to the faster transformation rate,but only a unique value of interface mobility matches the diffusion equation under the diffusion-controlled condition.By comparing the transformation kinetics from phase field simulations with that from classical diffusion equation,the interface mobility at different temperatures can be obtained.The results show that the calculated interface mobility increases with increasing temperature and accords with Arrhenius equation very well.
基金Project (2012CB722805) supported by the National Basic Research Program of ChinaProjects (50974083, 51174131) supported by the National Natural Science Foundation of China+1 种基金Project (50774112) supported by the Joint Fund of NSFC and Baosteel, ChinaProject(07QA4021) supported by the Shanghai "Phosphor" Science Foundation, China
文摘The accelerating factor (AF) method is a simple and appropriate way to investigate the atomic long-time deep diffusion at solid-solid interface. In the framework of AF hyperdynamics (HD) simulation, the relationship between the diffusion coefficient along the direction of z-axis which is normal to the Mg/Zn interface and temperature was investigated, and the AF's impact on the diffusion constant (D0) and activation energy (Q^*) was studied. Then, two steps were taken to simulate the atomic diffusion process and the formation of new phases: one for acceleration and the other for equilibration. The results show that: the Arrhenius equation works well for the description of Dz with different accelerating factors; the AF has no effect on the diffusion constant Do in the case of no phase transition; and the relationship between Q* and Q conforms to Q^*=Q/A. Then, the new Arrhenius equation for AFHD is successfully constructed as Dz=Doexp[-Q/(ART)]. Meanwhile, the authentic equilibrium conformations at any dynamic moment can only be reproduced by the equilibration simulation of the HD-simulated configurations. Key words: accelerating factor method; Arrhenius equation; two-steps scheme; Mg/Zn interface; hyperdynamic simulation
基金financial support from Iran National Science Foundation (INSF) under grant number 95822903
文摘The objective of this work was to investigate the thermal and mechanical interactions between the two components of a compound squeeze cast macrocomposite bimetal. First, an Al/Al-4.5wt.%Cu macrocomposite bimetal was fabricated by compound squeeze casting process. Then, heat transfer, solidification and distribution of the generated stresses along the interface region of the bimetal were analyzed using Thermo-Calc, ProCAST and ANSYS softwares, and structure, copper distribution and microhardness changes across the interface of the bimetal were studied. The results showed no noticeable change in the structure of the Al-4.5wt.%Cu insert and no obvious micromixing and diffusion of copper across the interface. Simulation results were in good agreement with the experimental ones only when an equivalent oxide layer at the interface was defined and its effect on heat transfer was considered. This layer caused up to 50% decrease in local liquid fraction formed on the surface of the insert. Simulation of the generated stresses showed a uniformly distributed stress along the interface which was significantly lower than the compressive strength of the oxide layer, resulting in its good stability during the fabrication process. It was postulated that this continuous oxide layer not only acted as a thermal barrier but prevented the direct metal-metal contact along the interface as well.
基金Projects(11872257,11572358)supported by the National Natural Science Foundation of ChinaProject(ZD2018075)supported by the Hebei Provincial Education Department,China。
文摘The electrical contact and mechanical performances of Ag-SnO_(2) contact materials are often improved by additives,especially Cu and its oxides.To reveal the improvement mechanism of metal additive,the effects of Cu nanoparticles on the interface strength and failure behavior of the Ag-SnO_(2) contact materials are investigated by numerical simulations and experiments.Three-dimensional representative volume element(RVE)models for the Ag-SnO_(2) materials without and with Cu nanoparticles are established,and the cohesive zone model is used to simulate the interface debonding process.The results show that the stress−strain relationships and failure modes predicted by the simulation agree well with the experimental ones.The adhesion strengths of the Ag/SnO_(2) and Ag/Cu interfaces are respectively predicted to be 100 and 450 MPa through the inverse method.It is found that the stress concentration around the SnO_(2) phase is the primary reason for the interface debonding,which leads to the failure of Ag-SnO_(2) contact material.The addition of Cu particles not only improves the interface strength,but also effectively suppresses the initiation and propagation of cracks.The results have an reference value for improving the processability of Ag based contact materials.
基金supported by the Research and Development of Key Instruments and Technologies for Deep Resources Prospecting(No.ZDYZ2012-1-07)the National Natural Science Foundation of China(Nos.41204099,11134011,and 11274341)
文摘Ultrasonic leaky Lamb waves are sensitive to defects and debonding in multilayer media. In this study, we use the finite-difference method to simulate the response of flexural waves in the presence of defects owing to casing corrosion and rough fluctuations at the cement-formation interface. The ultrasonic obliquely incidence could effectively stimulate the flexural waves. The defects owing to casing corrosion change the amplitude of the early- arrival flexural wave, which gradually decrease with increasing defect thickness on the exterior walls and is the lowest when the defect length and wavelength were comparable. The scattering at the defects decreases the energy of flexural waves in the casing that leaks directly to fluids. For rough cement-formation interface, the early-arrival flexural waves do not change, whereas the late-arrival flexural waves have reduced amplitude owing to the scattering at rough interface.
文摘The predictive capacity of numerical analyses in geotechnical engineering depends strongly on the efficiency of constitutive models used for modeling of interfaces behavior.Interfaces are considered as thin layers of the soil adjacent to structures boundary whose major role is transferring loads from structures to soil masses.An interface model within the bounding surface plasticity framework and the critical state soil mechanics is presented.To this aim,general formulation of the interface model according to the bounding surface plasticity theory is described first.Similar to granular soils,it has been shown that the mechanical behavior of sand-structure interfaces is highly affected by the interface state that is the combined influences of density and applied normal stress.Therefore,several ingredients of the model are directly related to the interface state.As a result of this feature,the model is enabled to distinguish interfaces in dense state from those in loose state and to provide realistic predictions over wide ranges of density and normal stress values.In evaluation of the model,a reasonable correspondence between the model predictions and the experimental data of various research teams is found.
文摘Isothermal solidification process of a dissimilar transient liquid phase (TLP) bonding of FSX-414/MBF80/IN738 system was simulated by finite difference method. The TLP joint model was divided into two parts and a moving liquid /solid interface model was used for the parts. Diffusion equations were solved for each half of the joints simultaneously up to the end of isothermal solidification. The completion time of isothermal solidification, concentration profiles and position of the solid/liquid interface for each half were calculated. The intersection of the solid/liquid interfaces of two halves was considered the end of isothermal solidification. To obtain some required diffusion data, TLP bonding of FSX-414/MBF80/IN738 was performed at different temperature and time under vacuum atmosphere. The calculated results show good agreement with the experimental results.
基金Supported by the National Natural Science Foundation of China (20736005).
文摘Concentration gradient induced Rayleigh convection can influence effectively interracial mass transfer processes, but the convection phenomena are known as mesoscopic and complex. In order to investigate this phenomenon, a two-equation Lattice Boltzmann Method (LBM) is proposed to simulate the velocity and the concentra-tion distributions of Rayleigh convection generated in the CO2 absorptlon into ethanol liquid.The simulated results on velocity distributions are experimentally verified by PIV (particle image velocimetry technique) measurements. In order to simplify the analysis, the convection in the simulation as well as in the experiment, the Rayleigh convection was manipulated into a single down flow pattern, The simulated results show that the concentration contours agree qualitatively with the schlieren images in the literature. The experimental and simulated results show that theRayleigh convection under investigation is dominated by the flow in the downward direction and impels exchange of the liquid between the interfacial vicinity and the liquid bulk promoting the renewal of interfacial liquid, and hence enhances mass transfer. The comparison between the simulated and experimental results demonstrated that the proposed LBM is a promising alternative for simulating mass transfer induced Rayleigh convection.
基金supported by the Fundamental Research Funds for the Central Universities (Grant No. 2016ZCQ06)supported by the National Natural Science Foundation of China (Grant No. 51309006)
文摘Better understanding of the role of vegetation and soil on hydraulic resistance of overland flow requires quantitative partition of their interaction. In this paper, a total of 144 hydraulic flume experiments were carried out to investigate the hydraulic characteristics of overland flow. Results show that hydraulic resistance is negatively correlated with Reynolds number on non-simulated vegetated slopes, while positively on vegetated slopes. The law of composite resistance agrees with the dominant resistance, depending on simulated vegetation stem,surface roughness, and discharge. Surface roughness has greater influence on overland flow resistance than vegetation stem when unit discharge is lower than the low-limited critical discharge, while vegetation has a more obvious influence when unit discharge is higher than the upper-limited critical discharge. Combined effects of simulated vegetation and surface roughness are unequal to the sum of the individual effects through t-test, implying the limitation of using linear superposition principle in calculating overland flow resistances under combined effect of roughness elements.
基金ACKN0WLEDGMENT This work was supported by the National Natural Science Foundation of China (No.20374050) and SRFDP (No.20050358018).
文摘Monte Carlo simulations were used to investigate the compatibilizing behaviors of multi-block copolymers with different architectures in A/B/(block copolymer) ternary blends. The volume fraction of homopolymer A, employed as the dispersed phase, was 19%. The simulations illustrate how a di- or multi-block copolymer aggregates at the interfaces and influences the phase behaviour of such incompatible polymer blends. The di-block copolymer chains tend to "stand" on the interface whereas the multi-block chains lie on the interface. In comparison with the di-block copolymer, the block copolymers with 4, or 10 blocks can occupy more areas on the interface, and thus the multi-block copolymers have higher efficiency for the retardation of the phase separation.
基金Project(10834015) supported by the National Natural Science Foundation of ChinaProject(12SKY01-1) supported by the Doctoral Fund of Shangluo University,ChinaProject(14JK1223) supported by the Scientific Research Program of Shaanxi Provincial Education Department,China
文摘Numerical simulations based on a new regularized phase-field model were presented, to simulate the solidification of hexagonal close-packed materials with strong interfacial energy anisotropies. Results show that the crystal grows into facet dendrites,displaying six-fold symmetry. The size of initial crystals has an effect on the branching-off of the principal branch tip along the<100> direction, which is eliminated by setting the b/a(a and b are the semi-major and semi-minor sizes in the initial elliptical crystals, respectively) value to be less than or equal to 1. With an increase in the undercooling value, the equilibrium morphology of the crystal changes from a star-like shape to facet dendrites without side branches. The steady-state tip velocity increases exponentially when the dimensionless undercooling is below the critical value. With a further increase in the undercooling value, the equilibrium morphology of the crystal grows into a developed side-branch structure, and the steady-state tip velocity of the facet dendrites increases linearly. The facet dendrite growth has controlled diffusion and kinetics.
文摘The inverse heat conduction method is one of methods to identify the casting simulation parameters. A new inverse method was presented according to the Tikhonov regularization theory. One appropriate regularized functional was established, and the functional was solved by the sensitivity coefficient and Newtonaphson iteration method. Moreover, the orthogonal experimental design was used to estimate the appropriate initial value and variation domain of each variable to decrease the number of iteration and improve the identification accuracy and efficiency. It illustrated a detailed case of AlSiTMg sand mold casting and the temperature measurement experiment was done. The physical properties of sand mold and the interracial heat transfer coefficient were identified at the meantime. The results indicated that the new regularization method was efficient in overcoming the ill-posedness of the inverse heat conduction problem and improving the stability and accuracy of the solutions.