Using multi-directional forging temperature as the independent variable and adopting the dual-mode phase field crystal model,the nucleation modes,reaction mechanisms,and interactions between grain boundaries and dislo...Using multi-directional forging temperature as the independent variable and adopting the dual-mode phase field crystal model,the nucleation modes,reaction mechanisms,and interactions between grain boundaries and dislocations at different temperatures were investigated.Results show that a mapping relationship between process parameters and grain refinement/coarsening is established,and the optimal processing temperature coefficient is 0.23.Compared with the cases with processing temperature coefficient of 0.19,0.20,0.21,0.25,and 0.27,the refinement effect increases by 256.0%,146.0%,113.0%,6.7%,and 52.4%,respectively.Excessively high temperatures lead to grain coarsening due to dislocation annihilation,and the application of strain can reduce the actual melting point of materials.Even if the processing temperature does not exceed the theoretical melting point,remelting and crystallization may still occur,resulting in an overburning phenomenon that reduces internal defects and increases overall grain size.This research is of great significance for the actual forging process design.展开更多
In Ti-Al laminated composites,cracks nucleate preferentially at the Al_(3)Ti layer,but the inhibitory effect of Al_(3)Ti on crack extension is ignored.Interestingly,by combining experiment and phase-field crystal simu...In Ti-Al laminated composites,cracks nucleate preferentially at the Al_(3)Ti layer,but the inhibitory effect of Al_(3)Ti on crack extension is ignored.Interestingly,by combining experiment and phase-field crystal simulation,we found that the micrometer Al_(3)Ti particles in the diffusion layer play the role of crack deflection and passivation,which is attributed to the lattice distortion induced by Al_(3)Ti consumes the energy of the crack in extension.In addition,it is found that the growth process of Al_(3)Ti is divided into two stages:nucleation stage and growth stage.Compared with the growth stage,the Al_(3)Ti grains in the nucleation stage are finer in the growth layer.Finer grains show better crack deflection and avoid stress concentration.展开更多
Anode-free lithium metal batteries are prone to capacity degradation and safety hazards due to the formation and growth of lithium dendrites.The interface between the current collector and deposited lithium plays a cr...Anode-free lithium metal batteries are prone to capacity degradation and safety hazards due to the formation and growth of lithium dendrites.The interface between the current collector and deposited lithium plays a critical role in preventing dendrite formation by regulating the thermodynamics and kinetics of lithium deposition.In this study,we develop a phase field model to investigate the influence of the current collector’s surface energy on lithium deposition morphology and its effect on the quality of the lithium metal film.It is demonstrated that a higher surface energy of the current collector promotes the growth of lithium metal along the surface of the current collector.Further,our simulation results show that a higher surface energy accelerates the formation of the lithium metal film while simultaneously reducing its surface roughness.By examining different contact angles and applied potentials,we construct a phase diagram of deposition morphology,illustrating that increased surface energy facilitates the dense and uniform deposition of lithium metal by preventing the formation of lithium filaments and voids.These findings provide new insights into the development and application of anode-free lithium metal batteries.展开更多
The microstructure and related property evolution induced by dynamic recrystallization(DRX)and static recrystallization(SRX)in thermo-mechanical process are two critical factors for the metal forming.The DRX and SRX a...The microstructure and related property evolution induced by dynamic recrystallization(DRX)and static recrystallization(SRX)in thermo-mechanical process are two critical factors for the metal forming.The DRX and SRX are determined by the grain level deformation and sequentially coupled.In order to fully capture the microstructure and mechanical property evolution,a crystal plasticity finite element based modelling method for DRX and SRX is proposed in the current work.The grain level deformation is calculated with crystal plasticity which is coupled with the recrystallization model straightforwardly,and both the grain deformation and microstructure evolution are updated simultaneously.The proposed method is validated with discontinuous DRX experiments and the effects of initial deformation conditions are well-captured.Two controversial mechanisms for recrystallization microstructure evolution,i.e.oriented nucleation and growth selection,are discussed in the current framework with the advantages of accurate grain level deformation and interaction predictions.Furthermore,the sequentially coupled DRX and SRX are modelled seamlessly in the current work which provides a critical method for fully integrated thermo-mechanical processes analysis.展开更多
Pre-melting is a phenomenon that below the melting point the liquid-like structure appears at the grainboundary while the grain interior remains a crystal structure. The phase-field crystal method was employed to inve...Pre-melting is a phenomenon that below the melting point the liquid-like structure appears at the grainboundary while the grain interior remains a crystal structure. The phase-field crystal method was employed to investigate the early evolution of the liquid pools in pre-melting regions, mainly involving four structural transformations: solid-solid state → small droplet → large liquid pool → homogeneous liquid melting. The microscopic morphology and free energy variation with different average atomic densities demonstrate that the average atomic density is sensitive to the morphological characteristics of liquid pools. Both two-dimensional and three-dimensional simulation results show that the amplitude reduction of order parameters can promote the order-disorder transition of grain boundaries, causing pre-melting in the edge dislocation aggregation. The relationship between the average atomic density and the width of the liquid pools is verified from thermodynamics, which provides a prerequisite for the application of high-temperature strain in the later stage to some extent.展开更多
A mathematical model combined projection algorithm with phase-field method was applied. The adaptive finite element method was adopted to solve the model based on the non-uniform grid, and the behavior of dendritic gr...A mathematical model combined projection algorithm with phase-field method was applied. The adaptive finite element method was adopted to solve the model based on the non-uniform grid, and the behavior of dendritic growth was simulated from undercooled nickel melt under the forced flow. The simulation results show that the asymmetry behavior of the dendritic growth is caused by the forced flow. When the flow velocity is less than the critical value, the asymmetry of dendrite is little influenced by the forced flow. Once the flow velocity reaches or exceeds the critical value, the controlling factor of dendrite growth gradually changes from thermal diffusion to convection. With the increase of the flow velocity, the deflection angle towards upstream direction of the primary dendrite stem becomes larger. The effect of the dendrite growth on the flow field of the melt is apparent. With the increase of the dendrite size, the vortex is present in the downstream regions, and the vortex region is gradually enlarged. Dendrite tips appear to remelt. In addition, the adaptive finite element method can reduce CPU running time by one order of magnitude compared with uniform grid method, and the speed-up ratio is proportional to the size of computational domain.展开更多
The irrationality of existing phase field model is analyzed and a modified phase-field model is proposed for polymer crystal growth, in which the parameters are obtained from real materials and very simple to use, and...The irrationality of existing phase field model is analyzed and a modified phase-field model is proposed for polymer crystal growth, in which the parameters are obtained from real materials and very simple to use, and most importantly, no paradoxical parameters appeared in the model. Moreover, it can simulate different microstructure patterns owing to the use of a new different free energy function for the simulation of morphologies of polymer. The new free energy function considers both the cases of T〈Tm and T≥Tm, which is more reasonable than that in published literatures that all ignored the T≥Tm case. In order to show the validity of the modified model, the finite difference method is used to solve the model and different crystallization morphologies during the solidification process of isotactic polystyrene are obtained under different conditions. Numerical results show that the growth rate of the initial secondary arms is obviously increased as the anisotropy strength increases. But the anisotropy strength seems to have no apparent effect on the global growth rate. The whole growth process of the dendrite depends mainly upon the latent heat and the latent heat has a direct effect on the tip radius and tip velocity of side branches.展开更多
A thorough understanding of the texture evolution of near-αtitanium alloys during the hot metal forming can help obtain an optimal crystallographic texture and material performance.The strain state has an obvious eff...A thorough understanding of the texture evolution of near-αtitanium alloys during the hot metal forming can help obtain an optimal crystallographic texture and material performance.The strain state has an obvious effect on the texture evolution of near-αtitanium alloys during the hot metal forming.In this paper,the texture evolution of a near-αTA15 titanium alloy during the hot metal forming under different strain states were discussed based on the crystal plasticity finite element method.It is found that the basal and prismatic slip systems are regarded as the dominant slip modes due to the similar low critical resolved shear stress during the hot metal forming of the TA15 sheet rotating the lattice around the[1010]and 0001 axis,respectively.Once both of them cannot be activated,the pyramidal-2 slipping occurs rotating the lattice around the[1010]axis.The relationship between the texture evolution and strain state is established.All the(0001)orientations form a band perpendicular to the direction of the first principal strain.The width of the band along the direction of the second principal strain depends on the ratio of the compressive effect to the tensile effect of the second principal strain.This relationship can help control the crystallographic texture and mechanical properties of the titanium alloys component during the hot metal forming.展开更多
Numerical analysis is an effective tool to research the industrial Czochralski （CZ） crystal growth aiming to improve crystal quality and reduce manufactur- ing costs. In this study, a set of global simulations were ...Numerical analysis is an effective tool to research the industrial Czochralski （CZ） crystal growth aiming to improve crystal quality and reduce manufactur- ing costs. In this study, a set of global simulations were carried out to investigate the effect of crystal-crucible rotation and pulling rate on melt convection and solid- liquid （SL） interface shape. Through analyses of the sim- ulation data, it is found that the interface deformation and inherent stress increase during the crystal growth process. The interface deflection increases from 7.4 to 51.3 mm with an increase in crystal size from 150 to 400 mm. In addition, the SL interface shape and flow pattern are sen- sitive to pulling rate and rotation rate. Reducing pulling rate can flat SL interface shape and add energy-consuming. Interface with low deflection can be achieved by adopting certain combination of crystal and crucible rotation rates. The effect of crystal rotation on SL interface shape is less significant at higher crucible rotation rates.展开更多
A modified phase-field model is proposed for simulating the isothermal crystallization of polymer melts. The model consists of a second-order phase-field equation and a heat conduction equation. It obtains its model p...A modified phase-field model is proposed for simulating the isothermal crystallization of polymer melts. The model consists of a second-order phase-field equation and a heat conduction equation. It obtains its model parameters from the real material parameters and is easy to use with tolerable computational cost. Due to the use of a new free energy functional form, the model can reproduce various single crystal morphologies of polymer melts under quiescent conditions, including dendritic, lamellar branching, ring-banded, breakup of ring-banded, faceted hexagonal, and spherulitic structures. Simulation results of isotactic polystyrene crystals demonstrate that the present phase-field model has the ability to give qualitative predictions of polymer crystallization under isothermal and quiescent conditions.展开更多
Texture evolution and inhomogeneous deformation of polycrystalline Cu during uniaxial compression are investigated at the grain scale by combining crystal plasticity finite element method(CPFEM) with particle swarm op...Texture evolution and inhomogeneous deformation of polycrystalline Cu during uniaxial compression are investigated at the grain scale by combining crystal plasticity finite element method(CPFEM) with particle swarm optimization(PSO) algorithm. The texture-based representative volume element(TBRVE) is used in the crystal plasticity finite element model, where a given number of crystallographic orientations are obtained by means of discretizing the orientation distribution function(ODF) based on electron backscattered diffraction(EBSD) experiment data. Three-dimensional grains with different morphologies are generated on the basis of Voronoi tessellation. The PSO algorithm plays a significant role in identifying the material parameters and saving computational time. The macroscopic stress–strain curve is predicted based on CPFEM, where the simulation results are in good agreement with the experimental ones. Therefore, CPFEM is a powerful candidate for capturing the texture evolution and clarifying the inhomogeneous plastic deformation of polycrystalline Cu. The simulation results indicate that the <110> fiber texture is generated finally with the progression of plastic deformation. The inhomogeneous distribution of rotation angles lays the foundation for the inhomogeneous deformation of polycrystalline Cu in terms of grain scale.展开更多
A novel method was developed to deposit a large crystal diamond with good facets up to 1000 μm on a tungsten substrate using a microwave plasma enhanced chemical vapor deposition （MPCVD）. This method consists of tw...A novel method was developed to deposit a large crystal diamond with good facets up to 1000 μm on a tungsten substrate using a microwave plasma enhanced chemical vapor deposition （MPCVD）. This method consists of two steps, namely single-crystal nucleation and growth. Prior to the fabrication of the well-faceted, large crystal diamond, an investigation was made into the nucleation and growth of the diamond which were affected by the O2 concentration and substrate temperature. Deposited diamond crystals were characterized by scanning electron microscopy and micro-Raman spectroscopy. The results showed that the conditions of single-crystal nucleation were appropriate when the ratio of H2/CH4/O2 was about 200/7.0/2.0, while the sub- strate temperature Ts of 1000℃ to 1050℃ was the appropriate range for single-crystal diamond growth. Under the optimum parameters, a well-faeeted large crystal diamond was obtained.展开更多
The sapphire （Al2O3） single crystal is a kind of excellent infrared transmission window materials. A large-sized sapphire （Ф225 mm×205 mm, 27.5 kg） was grown by SAPMAC method （sapphire growth technique with...The sapphire （Al2O3） single crystal is a kind of excellent infrared transmission window materials. A large-sized sapphire （Ф225 mm×205 mm, 27.5 kg） was grown by SAPMAC method （sapphire growth technique with micro-pulling and shoulder-expanding at cooled center）. Several kinds of inclusion in the large sapphire crystal were investigated by means of an optical microscopy （OM）, scanning electron microscopy （SEM） and electron probe microanalysis （EPMA）. The experimental results show that most inclusions are consisted of solid metallic and non-metallic particles as well as gas pores caused by the impurity of alumina as the raw material, the thermal dissociation of aluminum oxide melt and the reaction of the melt to the crucible material （Mo） at high temperatures. It is also found that in different crystal regions the inclusions are of varied sizes, morphology and chemical compositions. Finally, the measures to reduce and eliminate the inclusions are proposed to improve the crystal quality.展开更多
Chemical mechanical polishing （CMP） was used to polish Lithium triborate （LiB3O5 or LBO） crystal. Taguchi method was applied for optimization of the polishing parameters. Material removal rate （MRR） and surface ...Chemical mechanical polishing （CMP） was used to polish Lithium triborate （LiB3O5 or LBO） crystal. Taguchi method was applied for optimization of the polishing parameters. Material removal rate （MRR） and surface roughness are considered as criteria for the optimization. The polishing pressure, the abrasive concentration and the table velocity are important parameters which influence MRR and surface roughness in CMP of LBO crystal. Experiment results indicate that for MRR the polishing pressure is the most significant polishing parameter followed by table velocity; while for the surface roughness, the abrasive concentration is the most important one. For high MRR in CMP of LBO ctystal the optimal conditions are： pressure 620 g/cm^2, concentration 5.0 wt pct, and velocity 60 r/min, respectively. For the best surface roughness the optimal conditions are： pressure 416 g/cm^2, concentration 5.0 wt pct, and velocity 40 r/min, respectively. The contributions of individual parameters for MRR and surface roughness were obtained.展开更多
Density change is ubiquitous in phase transformation, and it can induce melt convection which strongly influences the crystal growth. Here, an anisotropic lattice Boltzmann-phase-field method was extended to predict t...Density change is ubiquitous in phase transformation, and it can induce melt convection which strongly influences the crystal growth. Here, an anisotropic lattice Boltzmann-phase-field method was extended to predict the dendritic growth under the shrinkage or expansion melt convection by density change induced. A novel LB equation with an anisotropic coefficient was constructed to model the advancement of ordering parameter, coupling with the passive scalar LB equation for convective and diffusive heat transfer during phase transition. We studied dendritic growth and shape selection with melt convection induced by density change in crystal growth. Results show that the melt convection induced by density change affects strongly the dendritic growth. The shrinkage flow results in a higher tip velocity while the expansion flow leads to a slower one. Predicted Péclet number with respect to the relative density change was compared with an analytical solution. Moreover, the modified selection parameter has been verified by numerical simulations.展开更多
Flexoelectricity is a two-way coupling effect between the strain gradient and electric field that exists in all dielectrics,regardless of point group symmetry.However,the high-order derivatives of displacements involv...Flexoelectricity is a two-way coupling effect between the strain gradient and electric field that exists in all dielectrics,regardless of point group symmetry.However,the high-order derivatives of displacements involved in the strain gradient pose challenges in solving electromechanical coupling problems incorporating the flexoelectric effect.In this study,we formulate a phase-field model for ferroelectric materials considering the flexoelectric effect.A four-node quadrilateral element with 20 degrees of freedom is constructed without introducing high-order shape functions.The microstructure evolution of domains is described by an independent order parameter,namely the spontaneous polarization governed by the time-dependent Ginzburg–Landau theory.The model is developed based on a thermodynamic framework,in which a set of microforces is introduced to construct the constitutive relation and evolution equation.For the flexoelectric part of electric enthalpy,the strain gradient is determined by interpolating the mechanical strain at the node via the values of Gaussian integration points in the isoparametric space.The model is shown to be capable of reproducing the classic analytical solution of dielectric materials incorporating the flexoelectric contribution.The model is verified by duplicating some typical phenomena in flexoelectricity in cylindrical tubes and truncated pyramids.A comparison is made between the polarization distribution in dielectrics and ferroelectrics.The model can reproduce the solution to the boundary value problem of the cylindrical flexoelectric tube,and demonstrate domain twisting at domain walls in ferroelectrics considering the flexoelectric effect.展开更多
In this paper, the generalized nonlinear Schrodinger equation （GNLSE） is solved by an adaptive split-step Fourier method （ASSFM）. It is found that ASSFM must be used to solve GNLSE to ensure precision when the sol...In this paper, the generalized nonlinear Schrodinger equation （GNLSE） is solved by an adaptive split-step Fourier method （ASSFM）. It is found that ASSFM must be used to solve GNLSE to ensure precision when the soliton selffrequency shift is remarkable and the photonic crystal fibre （PCF） parameters vary with the frequency considerably. The precision of numerical simulation by using ASSFM is higher than that by using split-step Fourier method in the process of laser pulse propagation in PCFs due to the fact that the variation of fibre parameters with the peak frequency in the pulse spectrum can be taken into account fully.展开更多
Rare earth garnet(R_(3)Fe_(5)O_(12),RIG)single crystals are the most ideal magneto-optical medium for optical isolators for wavelength longer than 1.1μm,which has been commercially used in optical fiber communication...Rare earth garnet(R_(3)Fe_(5)O_(12),RIG)single crystals are the most ideal magneto-optical medium for optical isolators for wavelength longer than 1.1μm,which has been commercially used in optical fiber communications.However,it is still a great challenge to grow large size RIG single crystals.In this work,highquality Y3 Fe5 O12(YIG)and Bi_(0.9)Tb_(2.1)Fe_(5)O_(12)(Bi:TIG)single crystals were successfully grown by the flux-Bridgman method for the first time.The as-grown crystals up to 20 mm in diameter was obtained using the PbO-B_(2)O_(3)flux.The transmittance of YIG crystals is over 75%in the region of 1100-2500 nm.TIG crystals also have good transmittance in the range of 1100-1700 nm,and show typical Tb absorption from 1700 to 2500 nm.The specific Faraday rotations of YIG and Bi_(0.9)Tb_(2.1)Fe_(5)O_(12) crystals are 185(°)/cm and-1250(°)/cm at 1550 nm,which are comparable to the commercial RIG crystals grown by LPE method.The present results indicate that flux-Bridgman method shows great potential to grow large size and high-quality RIG magneto-optical crystals.展开更多
Rare earth carbonate precipitation is mainly amorphous,of large volume and difficult to filter.To prepare crystalline rare earth carbonate,mother liquor of heavy rare earth was taken as research object,and the experim...Rare earth carbonate precipitation is mainly amorphous,of large volume and difficult to filter.To prepare crystalline rare earth carbonate,mother liquor of heavy rare earth was taken as research object,and the experimental scheme was designed based on the response surface central composite design(CCD)method.The concentration of mother liquor,aging time and seed crystal dosage were taken as independent variables,and the particle size of rare earth carbonate was taken as the response value to establish a quadratic polynomial numerical model to optimize the reactive-crystallization process of rare earth carbonate.The results show that these three factors have significant effect on the particle size of rare earth carbonate,and the influence order is mother liquid concentration>aging time>seed crystal dosage.Moreover,the interaction between mother liquor concentration and seed crystal dosage has a significant effect on the size of rare earth carbonate particles.The optimal parameters predicted by the model are as follows:the concentration of mother liquid is 1.75 g/L,seed crystal dosage is 13.56 wt%,and aging time is 8 h.Under these conditions,the predicted particle size is 28.74μm,and the experiment particle size is 28.23μm,between both,the relative error is 0.73%,which indicates that the established response surface model has a good prediction effect and a certain practical significance to guide the reactive-crystallization process of rare earth carbonate.The obtained rare earth carbonate has a crystallinity of 97.82%,uniform particles size,and low-hydrated crystals with a tengerite structure.展开更多
Two kinds of fabricated hollow-core photonic crystal fibres （HC-PCFs） arc studied using finite element method （FEM） because the structures of the fibres are special, Normalized transmission spectra and transverse ...Two kinds of fabricated hollow-core photonic crystal fibres （HC-PCFs） arc studied using finite element method （FEM） because the structures of the fibres are special, Normalized transmission spectra and transverse intensity distribution of the modes are calculated and measured. And the dispersion characteristics of these two kinds of HC- PCFs were analysed from 400 nm to 800 nm. Simulated and measured results show that the special structure could affect the properties of HC-PCFs, By comparing the simulated values with the measured results, it can be clarified that FEM is feasible and accurate for analysing photonic crystal fibres whose structures are irregular and complex.展开更多
基金National Natural Science Foundation of China(52375394,52275390,U23A20628,52305429)Major Project of Science and Technology in Shanxi(202301050201004)Natural Science Foundation of Shanxi Province(202403021222132)。
文摘Using multi-directional forging temperature as the independent variable and adopting the dual-mode phase field crystal model,the nucleation modes,reaction mechanisms,and interactions between grain boundaries and dislocations at different temperatures were investigated.Results show that a mapping relationship between process parameters and grain refinement/coarsening is established,and the optimal processing temperature coefficient is 0.23.Compared with the cases with processing temperature coefficient of 0.19,0.20,0.21,0.25,and 0.27,the refinement effect increases by 256.0%,146.0%,113.0%,6.7%,and 52.4%,respectively.Excessively high temperatures lead to grain coarsening due to dislocation annihilation,and the application of strain can reduce the actual melting point of materials.Even if the processing temperature does not exceed the theoretical melting point,remelting and crystallization may still occur,resulting in an overburning phenomenon that reduces internal defects and increases overall grain size.This research is of great significance for the actual forging process design.
基金supported by the National Natural Science Foundation of China(Nos.52375394,52074246,52275390,52205429,52201146)the National Defense Basic Scientific Research Program of China(JCKY2020408B002)the Key Research and Development Program of Shanxi Province(202102050201011,202202050201014).
文摘In Ti-Al laminated composites,cracks nucleate preferentially at the Al_(3)Ti layer,but the inhibitory effect of Al_(3)Ti on crack extension is ignored.Interestingly,by combining experiment and phase-field crystal simulation,we found that the micrometer Al_(3)Ti particles in the diffusion layer play the role of crack deflection and passivation,which is attributed to the lattice distortion induced by Al_(3)Ti consumes the energy of the crack in extension.In addition,it is found that the growth process of Al_(3)Ti is divided into two stages:nucleation stage and growth stage.Compared with the growth stage,the Al_(3)Ti grains in the nucleation stage are finer in the growth layer.Finer grains show better crack deflection and avoid stress concentration.
基金supported by the National Key Research and Development Program of China(2022YFA1203602)the National Natural Science Foundation of China(Grant No.12025206)+1 种基金the Strategic Priority Research Program of the Chinese Academy of Sciences(Grant No.XDB0620101)the National Natural Science Foundations of China(Grant No.12202366).
文摘Anode-free lithium metal batteries are prone to capacity degradation and safety hazards due to the formation and growth of lithium dendrites.The interface between the current collector and deposited lithium plays a critical role in preventing dendrite formation by regulating the thermodynamics and kinetics of lithium deposition.In this study,we develop a phase field model to investigate the influence of the current collector’s surface energy on lithium deposition morphology and its effect on the quality of the lithium metal film.It is demonstrated that a higher surface energy of the current collector promotes the growth of lithium metal along the surface of the current collector.Further,our simulation results show that a higher surface energy accelerates the formation of the lithium metal film while simultaneously reducing its surface roughness.By examining different contact angles and applied potentials,we construct a phase diagram of deposition morphology,illustrating that increased surface energy facilitates the dense and uniform deposition of lithium metal by preventing the formation of lithium filaments and voids.These findings provide new insights into the development and application of anode-free lithium metal batteries.
基金supported by the National Natural Science Foundation of China(Nos.52105384 and U2141215).
文摘The microstructure and related property evolution induced by dynamic recrystallization(DRX)and static recrystallization(SRX)in thermo-mechanical process are two critical factors for the metal forming.The DRX and SRX are determined by the grain level deformation and sequentially coupled.In order to fully capture the microstructure and mechanical property evolution,a crystal plasticity finite element based modelling method for DRX and SRX is proposed in the current work.The grain level deformation is calculated with crystal plasticity which is coupled with the recrystallization model straightforwardly,and both the grain deformation and microstructure evolution are updated simultaneously.The proposed method is validated with discontinuous DRX experiments and the effects of initial deformation conditions are well-captured.Two controversial mechanisms for recrystallization microstructure evolution,i.e.oriented nucleation and growth selection,are discussed in the current framework with the advantages of accurate grain level deformation and interaction predictions.Furthermore,the sequentially coupled DRX and SRX are modelled seamlessly in the current work which provides a critical method for fully integrated thermo-mechanical processes analysis.
基金supported by the National Natural Science Foundation of China (51774254,51774253,51701187,51674226,51804279,51801189)The Science and Technology Major Project of Shanxi Province,China (20191102008)+2 种基金Platform and Talent Project of Shanxi Province,China (201805D211036)Guiding Local Science and Technology Development Projects by the Central Government of China (YDZX20191400002796)Transformation of Scientific and Technological Achievements Special Guide Project of Shanxi Province,China (201804D131039)。
文摘Pre-melting is a phenomenon that below the melting point the liquid-like structure appears at the grainboundary while the grain interior remains a crystal structure. The phase-field crystal method was employed to investigate the early evolution of the liquid pools in pre-melting regions, mainly involving four structural transformations: solid-solid state → small droplet → large liquid pool → homogeneous liquid melting. The microscopic morphology and free energy variation with different average atomic densities demonstrate that the average atomic density is sensitive to the morphological characteristics of liquid pools. Both two-dimensional and three-dimensional simulation results show that the amplitude reduction of order parameters can promote the order-disorder transition of grain boundaries, causing pre-melting in the edge dislocation aggregation. The relationship between the average atomic density and the width of the liquid pools is verified from thermodynamics, which provides a prerequisite for the application of high-temperature strain in the later stage to some extent.
基金Projects(51161011,11364024)supported by the National Natural Science Foundation of ChinaProject(1204GKCA065)supported by the Key Technology R&D Program of Gansu Province,China+1 种基金Project(201210)supported by the Fundamental Research Funds for the Universities of Gansu Province,ChinaProject(J201304)supported by the Funds for Distinguished Young Scientists of Lanzhou University of Technology,China
文摘A mathematical model combined projection algorithm with phase-field method was applied. The adaptive finite element method was adopted to solve the model based on the non-uniform grid, and the behavior of dendritic growth was simulated from undercooled nickel melt under the forced flow. The simulation results show that the asymmetry behavior of the dendritic growth is caused by the forced flow. When the flow velocity is less than the critical value, the asymmetry of dendrite is little influenced by the forced flow. Once the flow velocity reaches or exceeds the critical value, the controlling factor of dendrite growth gradually changes from thermal diffusion to convection. With the increase of the flow velocity, the deflection angle towards upstream direction of the primary dendrite stem becomes larger. The effect of the dendrite growth on the flow field of the melt is apparent. With the increase of the dendrite size, the vortex is present in the downstream regions, and the vortex region is gradually enlarged. Dendrite tips appear to remelt. In addition, the adaptive finite element method can reduce CPU running time by one order of magnitude compared with uniform grid method, and the speed-up ratio is proportional to the size of computational domain.
基金This work is supported by the National Natural Science Foundation of China （No.11402210）, the Natural Science Foundation of Shanxi Province （No.2012011019-2）, and the Doctoral Fund of Taiyuan University of Science and Technology （No.20152024）.
文摘The irrationality of existing phase field model is analyzed and a modified phase-field model is proposed for polymer crystal growth, in which the parameters are obtained from real materials and very simple to use, and most importantly, no paradoxical parameters appeared in the model. Moreover, it can simulate different microstructure patterns owing to the use of a new different free energy function for the simulation of morphologies of polymer. The new free energy function considers both the cases of T〈Tm and T≥Tm, which is more reasonable than that in published literatures that all ignored the T≥Tm case. In order to show the validity of the modified model, the finite difference method is used to solve the model and different crystallization morphologies during the solidification process of isotactic polystyrene are obtained under different conditions. Numerical results show that the growth rate of the initial secondary arms is obviously increased as the anisotropy strength increases. But the anisotropy strength seems to have no apparent effect on the global growth rate. The whole growth process of the dendrite depends mainly upon the latent heat and the latent heat has a direct effect on the tip radius and tip velocity of side branches.
基金financially supported by the National Natural Science Foundation of China(No.51401065).
文摘A thorough understanding of the texture evolution of near-αtitanium alloys during the hot metal forming can help obtain an optimal crystallographic texture and material performance.The strain state has an obvious effect on the texture evolution of near-αtitanium alloys during the hot metal forming.In this paper,the texture evolution of a near-αTA15 titanium alloy during the hot metal forming under different strain states were discussed based on the crystal plasticity finite element method.It is found that the basal and prismatic slip systems are regarded as the dominant slip modes due to the similar low critical resolved shear stress during the hot metal forming of the TA15 sheet rotating the lattice around the[1010]and 0001 axis,respectively.Once both of them cannot be activated,the pyramidal-2 slipping occurs rotating the lattice around the[1010]axis.The relationship between the texture evolution and strain state is established.All the(0001)orientations form a band perpendicular to the direction of the first principal strain.The width of the band along the direction of the second principal strain depends on the ratio of the compressive effect to the tensile effect of the second principal strain.This relationship can help control the crystallographic texture and mechanical properties of the titanium alloys component during the hot metal forming.
基金financially supported by the Major National Science and Technology Projects (No. 2009ZX02011)
文摘Numerical analysis is an effective tool to research the industrial Czochralski （CZ） crystal growth aiming to improve crystal quality and reduce manufactur- ing costs. In this study, a set of global simulations were carried out to investigate the effect of crystal-crucible rotation and pulling rate on melt convection and solid- liquid （SL） interface shape. Through analyses of the sim- ulation data, it is found that the interface deformation and inherent stress increase during the crystal growth process. The interface deflection increases from 7.4 to 51.3 mm with an increase in crystal size from 150 to 400 mm. In addition, the SL interface shape and flow pattern are sen- sitive to pulling rate and rotation rate. Reducing pulling rate can flat SL interface shape and add energy-consuming. Interface with low deflection can be achieved by adopting certain combination of crystal and crucible rotation rates. The effect of crystal rotation on SL interface shape is less significant at higher crucible rotation rates.
基金Project supported by the National Key Basic Research Program of China (973 Program) (Grant No.2012CB025903)the Foundation for Fundamental Research of Northwestern Polytechnical University,China (Grant No.JCY20130141)+1 种基金the Doctorate Foundation of Northwestern Polytechnical University,China (Grant No.cx201019)the Fund for Doctoral Students Newcomer Awards from the Ministry of Education of China
文摘A modified phase-field model is proposed for simulating the isothermal crystallization of polymer melts. The model consists of a second-order phase-field equation and a heat conduction equation. It obtains its model parameters from the real material parameters and is easy to use with tolerable computational cost. Due to the use of a new free energy functional form, the model can reproduce various single crystal morphologies of polymer melts under quiescent conditions, including dendritic, lamellar branching, ring-banded, breakup of ring-banded, faceted hexagonal, and spherulitic structures. Simulation results of isotactic polystyrene crystals demonstrate that the present phase-field model has the ability to give qualitative predictions of polymer crystallization under isothermal and quiescent conditions.
基金Projects(51305091,51475101) supported by the National Natural Science Foundation of ChinaProject(20132304120025) supported by Specialized Research Fund for the Doctoral Program of Higher Education,China
文摘Texture evolution and inhomogeneous deformation of polycrystalline Cu during uniaxial compression are investigated at the grain scale by combining crystal plasticity finite element method(CPFEM) with particle swarm optimization(PSO) algorithm. The texture-based representative volume element(TBRVE) is used in the crystal plasticity finite element model, where a given number of crystallographic orientations are obtained by means of discretizing the orientation distribution function(ODF) based on electron backscattered diffraction(EBSD) experiment data. Three-dimensional grains with different morphologies are generated on the basis of Voronoi tessellation. The PSO algorithm plays a significant role in identifying the material parameters and saving computational time. The macroscopic stress–strain curve is predicted based on CPFEM, where the simulation results are in good agreement with the experimental ones. Therefore, CPFEM is a powerful candidate for capturing the texture evolution and clarifying the inhomogeneous plastic deformation of polycrystalline Cu. The simulation results indicate that the <110> fiber texture is generated finally with the progression of plastic deformation. The inhomogeneous distribution of rotation angles lays the foundation for the inhomogeneous deformation of polycrystalline Cu in terms of grain scale.
基金supported by the Natural Science Foundation of Hubei Province of China(2008CDB255)the Educational Commission of Hubei Province of China(No.Q20081505)the Key Laboratory for Green Chemical Process of the Ministry of Education of China (No.RGCT200801)
文摘A novel method was developed to deposit a large crystal diamond with good facets up to 1000 μm on a tungsten substrate using a microwave plasma enhanced chemical vapor deposition （MPCVD）. This method consists of two steps, namely single-crystal nucleation and growth. Prior to the fabrication of the well-faceted, large crystal diamond, an investigation was made into the nucleation and growth of the diamond which were affected by the O2 concentration and substrate temperature. Deposited diamond crystals were characterized by scanning electron microscopy and micro-Raman spectroscopy. The results showed that the conditions of single-crystal nucleation were appropriate when the ratio of H2/CH4/O2 was about 200/7.0/2.0, while the sub- strate temperature Ts of 1000℃ to 1050℃ was the appropriate range for single-crystal diamond growth. Under the optimum parameters, a well-faeeted large crystal diamond was obtained.
基金National Defensive Preliminary Research Funds of China (41312040404)
文摘The sapphire （Al2O3） single crystal is a kind of excellent infrared transmission window materials. A large-sized sapphire （Ф225 mm×205 mm, 27.5 kg） was grown by SAPMAC method （sapphire growth technique with micro-pulling and shoulder-expanding at cooled center）. Several kinds of inclusion in the large sapphire crystal were investigated by means of an optical microscopy （OM）, scanning electron microscopy （SEM） and electron probe microanalysis （EPMA）. The experimental results show that most inclusions are consisted of solid metallic and non-metallic particles as well as gas pores caused by the impurity of alumina as the raw material, the thermal dissociation of aluminum oxide melt and the reaction of the melt to the crucible material （Mo） at high temperatures. It is also found that in different crystal regions the inclusions are of varied sizes, morphology and chemical compositions. Finally, the measures to reduce and eliminate the inclusions are proposed to improve the crystal quality.
基金supported by the National Natural Science Foundation of China(No.50675104 and 50905086)Six High Talent Fund of Jiangsu Province(No.06-D-024)Talent Fund of NUAA(No.S0782-052)
文摘Chemical mechanical polishing （CMP） was used to polish Lithium triborate （LiB3O5 or LBO） crystal. Taguchi method was applied for optimization of the polishing parameters. Material removal rate （MRR） and surface roughness are considered as criteria for the optimization. The polishing pressure, the abrasive concentration and the table velocity are important parameters which influence MRR and surface roughness in CMP of LBO crystal. Experiment results indicate that for MRR the polishing pressure is the most significant polishing parameter followed by table velocity; while for the surface roughness, the abrasive concentration is the most important one. For high MRR in CMP of LBO ctystal the optimal conditions are： pressure 620 g/cm^2, concentration 5.0 wt pct, and velocity 60 r/min, respectively. For the best surface roughness the optimal conditions are： pressure 416 g/cm^2, concentration 5.0 wt pct, and velocity 40 r/min, respectively. The contributions of individual parameters for MRR and surface roughness were obtained.
基金supported by the National Natural Science Foundation of China (Nos. 51701160, 51801186, and U1862117)Fundamental Research Funds for the Central Universities (No. 3102018zy046, and No. 2242019k1G003)the State Key Laboratory of Advanced Special Steel, Shanghai University, China (SKLASS2019-16)。
文摘Density change is ubiquitous in phase transformation, and it can induce melt convection which strongly influences the crystal growth. Here, an anisotropic lattice Boltzmann-phase-field method was extended to predict the dendritic growth under the shrinkage or expansion melt convection by density change induced. A novel LB equation with an anisotropic coefficient was constructed to model the advancement of ordering parameter, coupling with the passive scalar LB equation for convective and diffusive heat transfer during phase transition. We studied dendritic growth and shape selection with melt convection induced by density change in crystal growth. Results show that the melt convection induced by density change affects strongly the dendritic growth. The shrinkage flow results in a higher tip velocity while the expansion flow leads to a slower one. Predicted Péclet number with respect to the relative density change was compared with an analytical solution. Moreover, the modified selection parameter has been verified by numerical simulations.
基金funded by the National Natural Science Foundation of China(Grant No.12272020)Beijing Natural Science Foundation(Grant No.JQ21001)+1 种基金S.W.acknowledges support from the Fundamental Research Funds for the Central Universities(Grant No.YWF-23-SDHK-L-019)M.Y.acknowledges support from the National Natural Science Foundation of China(Grant Nos.12302134,12272173,and 11902150).
文摘Flexoelectricity is a two-way coupling effect between the strain gradient and electric field that exists in all dielectrics,regardless of point group symmetry.However,the high-order derivatives of displacements involved in the strain gradient pose challenges in solving electromechanical coupling problems incorporating the flexoelectric effect.In this study,we formulate a phase-field model for ferroelectric materials considering the flexoelectric effect.A four-node quadrilateral element with 20 degrees of freedom is constructed without introducing high-order shape functions.The microstructure evolution of domains is described by an independent order parameter,namely the spontaneous polarization governed by the time-dependent Ginzburg–Landau theory.The model is developed based on a thermodynamic framework,in which a set of microforces is introduced to construct the constitutive relation and evolution equation.For the flexoelectric part of electric enthalpy,the strain gradient is determined by interpolating the mechanical strain at the node via the values of Gaussian integration points in the isoparametric space.The model is shown to be capable of reproducing the classic analytical solution of dielectric materials incorporating the flexoelectric contribution.The model is verified by duplicating some typical phenomena in flexoelectricity in cylindrical tubes and truncated pyramids.A comparison is made between the polarization distribution in dielectrics and ferroelectrics.The model can reproduce the solution to the boundary value problem of the cylindrical flexoelectric tube,and demonstrate domain twisting at domain walls in ferroelectrics considering the flexoelectric effect.
文摘In this paper, the generalized nonlinear Schrodinger equation （GNLSE） is solved by an adaptive split-step Fourier method （ASSFM）. It is found that ASSFM must be used to solve GNLSE to ensure precision when the soliton selffrequency shift is remarkable and the photonic crystal fibre （PCF） parameters vary with the frequency considerably. The precision of numerical simulation by using ASSFM is higher than that by using split-step Fourier method in the process of laser pulse propagation in PCFs due to the fact that the variation of fibre parameters with the peak frequency in the pulse spectrum can be taken into account fully.
基金Project supported by State Key Laboratory of Crystal Materials,China(KF1810)Shanghai Municipal Commission of Economy and Informatization,China(GYQJ-2020-1-19)。
文摘Rare earth garnet(R_(3)Fe_(5)O_(12),RIG)single crystals are the most ideal magneto-optical medium for optical isolators for wavelength longer than 1.1μm,which has been commercially used in optical fiber communications.However,it is still a great challenge to grow large size RIG single crystals.In this work,highquality Y3 Fe5 O12(YIG)and Bi_(0.9)Tb_(2.1)Fe_(5)O_(12)(Bi:TIG)single crystals were successfully grown by the flux-Bridgman method for the first time.The as-grown crystals up to 20 mm in diameter was obtained using the PbO-B_(2)O_(3)flux.The transmittance of YIG crystals is over 75%in the region of 1100-2500 nm.TIG crystals also have good transmittance in the range of 1100-1700 nm,and show typical Tb absorption from 1700 to 2500 nm.The specific Faraday rotations of YIG and Bi_(0.9)Tb_(2.1)Fe_(5)O_(12) crystals are 185(°)/cm and-1250(°)/cm at 1550 nm,which are comparable to the commercial RIG crystals grown by LPE method.The present results indicate that flux-Bridgman method shows great potential to grow large size and high-quality RIG magneto-optical crystals.
基金Project supported by the National Natural Science Foundation of China(51674125,51604128,51874150)the Doctoral Scientific Research Foundation of Jiangxi University of Science and Technology(jxxjbs19020)+2 种基金Jiangxi Provincial Department of Education Science and Technology Research Project(GJJ190486)Outstanding Doctoral Dissertation Project Fund of JXUST(YB2016001)Jiangxi Outstanding Young Talents Program(20192BCB23017)。
文摘Rare earth carbonate precipitation is mainly amorphous,of large volume and difficult to filter.To prepare crystalline rare earth carbonate,mother liquor of heavy rare earth was taken as research object,and the experimental scheme was designed based on the response surface central composite design(CCD)method.The concentration of mother liquor,aging time and seed crystal dosage were taken as independent variables,and the particle size of rare earth carbonate was taken as the response value to establish a quadratic polynomial numerical model to optimize the reactive-crystallization process of rare earth carbonate.The results show that these three factors have significant effect on the particle size of rare earth carbonate,and the influence order is mother liquid concentration>aging time>seed crystal dosage.Moreover,the interaction between mother liquor concentration and seed crystal dosage has a significant effect on the size of rare earth carbonate particles.The optimal parameters predicted by the model are as follows:the concentration of mother liquid is 1.75 g/L,seed crystal dosage is 13.56 wt%,and aging time is 8 h.Under these conditions,the predicted particle size is 28.74μm,and the experiment particle size is 28.23μm,between both,the relative error is 0.73%,which indicates that the established response surface model has a good prediction effect and a certain practical significance to guide the reactive-crystallization process of rare earth carbonate.The obtained rare earth carbonate has a crystallinity of 97.82%,uniform particles size,and low-hydrated crystals with a tengerite structure.
基金Project supported by the State Key Development Program for Basic Research of China (Grant No 2003CB314905)the National High Technology Development Program of China (Grant No 2003AA311010)
文摘Two kinds of fabricated hollow-core photonic crystal fibres （HC-PCFs） arc studied using finite element method （FEM） because the structures of the fibres are special, Normalized transmission spectra and transverse intensity distribution of the modes are calculated and measured. And the dispersion characteristics of these two kinds of HC- PCFs were analysed from 400 nm to 800 nm. Simulated and measured results show that the special structure could affect the properties of HC-PCFs, By comparing the simulated values with the measured results, it can be clarified that FEM is feasible and accurate for analysing photonic crystal fibres whose structures are irregular and complex.
