Effect of elastic strain energy on grain growth and texture in AZ31 magnesium alloy by phase-field simulation

A phase-field model is modified to investigate the grain growth and texture evolution in AZ31 magnesium alloy during stressing at elevated temperatures. The order parameters are defined to represent a physical variable of grain orientation in terms of three angles in spatial coordinates so that the grain volume of different order parameters can be used to indicate the texture of the alloy. The stiffness tensors for different grains are different because of elastic anisotropy of the magnesium lattice. The tensor is defined by transforming the standard stiffness tensor according to the angle between the （0001） plane of a grain and the direction of applied stress. Therefore, different grains contribute to different amounts of work under applied stress. The simulation results are well-explained by using the limited experimental data available, and the texture results are in good agreement with the experimental observations. The simulation results reveal that the applied stress strongly influences AZ31 alloy grain growth and that the grain-growth rate increases with the applied stress increasing, particularly when the stress is less than 400 MPa. A parameter （△d） is introduced to characterize the degree of grain-size variation due to abnormal grain growth; the △d increases with applied stress increasing and becomes considerably large only when the stress is greater than 800 MPa. Moreover, the applied stress also results in an intensive texture of the 〈0001〉 axis parallel to the direction of compressive stress in AZ31 alloy after growing at elevated temperatures, only when the applied stress is greater than 500 MPa.

Phase-field simulation of the coupled evolutions of grain and twin boundaries in nanotwinned polycrystals

Nanotwinned polycrystals exhibit an excellent strength-ductility combination due to nanoscale twins and grains. However, nanotwin-assisted grain coarsening under mechanical loading reported in recent experiments may result in strength drop based on the Hall-Petch law. In this paper, a phase-field model is developed to investigate the effect of coupled evolutions of twin and grain boundaries on nanotwin-assisted grain growth. The simulation result demonstrates that there are three pathways for coupled motions of twin and grain boundaries in a bicrystal under the applied loading, dependent on the amplitude of applied loading and misorientation of the bicrystal. It reveals that a large misorientation angle and a large applied stress promote the twinning-driven grain boundary migration. The resultant twin-assisted grain coarsening is confirmed in the simulations for the microstructural evolutions in twinned and un-twinned polycrystals under a high applied stress.

Multi-phase-field simulation of austenite peritectic solidification based on a ferrite grain

A multi-phase-field model is implemented to investigate the peritectic solidification of Fe-C alloy. The nucleation mode of austenite is based on the local driving force, and two different thicknesses of the primary austenite on the surface of the ferrite equiaxed crystal grain are used as the initial conditions. The simulation shows the multiple interactions of ferrite, austenite, and liquid phases, and the effects of carbon diffusion, which presents the non-equilibrium dynamic process during Fe-C peritectic solidification at the mesoscopic scale. This work not only reveals the influence of the austenite nucleation position, but also clarifies the formation mechanism of liquid phase channels and molten pools. Therefore, the present study contributes to the understanding of the micro-morphology and micro-segregation evolution mechanisms of Fe-C alloy during peritectic solidification.

Multiphase-field simulation of austenite reversion in medium-Mn steels

Medium-Mn steels have attracted immense attention for automotive applications owing to their outstanding combination of high strength and superior ductility.This steel class is generally characterized by an ultrafine-grained duplex microstructure consisting of ferrite and a large amount of austenite.Such a unique microstructure is processed by intercritical annealing,where austenite reversion occurs in a fine martensitic matrix.In the present study,austenite reversion in a medium-Mn alloy was simulated by the multiphase-field approach using the commercial software MICRESS®coupled with the thermodynamic database TCFE8 and the kinetic database MOBFE2.In particular,a faceted anisotropy model was incorporated to replicate the lamellar morphology of reversed austenite.The simulated microstructural morphology and phase transformation kinetics(indicated by the amount of phase)concurred well with experimental observations by scanning electron microscopy and in situ synchrotron high-energy X-ray diffraction,respectively.

Microscopic phase-field simulation of the coarsening behavior of coherent precipitates in Ni-Al alloys

On the basis of the microscopic phase-field dynamic model and the microelasticity theory, the characteristics of the coarsening behavior of γ＇ phase in Ni-Al alloys have been systematically studied in a certain volume fraction of the precipitates. It was found that the initial irregular shape, randomly distributed γ＇ phase, gradually transformed into cuboidal shape, regularly aligned along the [100] and [010] directions, and a highly preferential selected microstructure was formed during the later stage of precipitation. The volume fraction of the precipitates produced some effects on the precipitate morphology but did not produce an obvious effect on the regularities of precipitate distribution. The coarsening rate constant from the cubic growth law decreased as a function of volume fraction for small volume fractions, remained constant for intermediate volume fractions, and increased as a function of volume fraction for large volume fractions. During the coherent coarsening process, four ＂splitting＂ patterns between γ＇ phases, which belonged to different antiphase domains, were produced via particle aggregation, such as an L-shaped pattern, a doublet, a triplet, and a quartet.

Microscopic phase-field simulation of L1_2 and D0_(22) phases during the early precipitation process of Ni-Cr-Al alloys

The influence of temperature on the precipitation mechanism and sequence of L 12 and D022 phases during the early precipitation process of a Ni-15.Sat%Cr-14at%Al alloy was simulated based on the microscopic phase-field model. In the range from 873 to 1373 K, the precipitation mechanism transformed from spinodal decomposition to non-classic nucleation and growth; the incubation period prolonged gradually with increasing temperature. The volume fraction of L12 phases increased and that of D022 phases decreased. D022 phases disappeared at 1373 K, and finally single-phase L12 phases were formed.

Phase-field Simulation of Microstructural Evolution during Preparation of Semi-solid Metal by Electromagnetic Stirring Method

In the process of preparation of semi-solid metal materials, a variety of factors would influence the preparing time and the morphology of non-dendritic microstructure. The aim of this work is using phase-field method to simulate non-dendritic growth during preparation of AI-4Cu-Mg semi-solid alloy by electromagnetic stirring method （EMS method）. Several factors such as the disturbance intensity, anisotropy, the thickness of the interface and the ratio of diffusivity in solid and liquid were considered. It is shown that decreasing the thickness of the interface results in more circular outline of particles, and increasing the diffusivity in solid can reduce degree of microsegregation. The disturbance intensity in the model can be connected with current intensity of stator or magnetic induction density impressed. Simulation results show that the larger the disturbance intensity or magnetic induction density, the more globular morphology the original phase in the matrix.

Microscopic Phase-field Simulation of Competition Mechanism Between L12 and D022 Structure in Ni-Cr-Al Alloy

Simulations are performed on temporal evolution of atom morphology and ordering parameters of Ni-14.5 Cr-16.5 Al alloy during early precipitation process at different temperatures based on microscopic phase-field theory; the relationship between precipitation sequence and mechanism of L12 and D022 structure and precipitation temperature are illuminated. The nonstoichiometric ordered L12 phases appear first with congruent ordering＋spinodal decomposition mechanism which is then followed by precipitation of D022 phases at ordering domain boundaries of L12 phases by spinodal decomposition mechanism at 1073 K and 1223 K. The nonstoichiometric L12 phases transform to stoichiometric ordering phases gradually. The incubation period of L12 and D022 phases is shorter at 1073 K than that 1223 K, and growth speed is higher at 1073 K. At 1373 K, L12 and D022 phases appear simultaneously by non-classical nucleation and growth mechanism. After that the particles of D022 phases diminish and disappear gradually; L12 phases grow and single L12 phases are remained at last.

Phase-field simulation of dendritic growth for binary alloys with complicate solution models

A phase-field method for simulation of dendritic growth in binary alloys with complicate solution models was studied. The free energy densities of solid and liquid used to construct the free energy of a solidification system in the phase-field model were derived from the Calphad thermodynamic modeling of phase diagram. The dendritic growth of Ti-Al alloy with a quasi-sub regular solution model was simulated in both an isothermal and a non-isothermal regime. In the isothermal one, different initial solute compositions and melt temperatures were chosen. And in the non-isothermal one, release of latent heat during solidification was considered. Realistic growth patterns of dendrite are derived. Both the initial compositions and melt temperatures affect isothermal dendritic morphology and solute distributions much, especially the latter. Release of latent heat will cause a less developed structure of dendrite and a lower interfacial composition.

Phase-field simulation of lamellar growth for a binary eutectic alloy

Using general multi-phase-field model,detailed microstructures corresponding to different initial lamellar sets were simulated in a binary eutectic alloy with an asymmetric phase diagram.The simulation results show that regular or unstable oscillating lamellar structures depend on the initial lamellar widths of two solid phases.A lamellar morphology map associating with the initial widths has been derived,which is capable of showing the condition of forming various lamella structures.For instance,a regular lamella was formed with fast solidification while large lamella resulted from disorder growth with low interfacial velocity. The investigated interface velocities indicate that with fast solidification to form regular lamella,a disorder growth manner or a large lamellar spacing causes a low interface velocity.These results are in good agreement with those proposed by Jackson-Hunt model.

Parameters affecting microsegregation in phase-field simulation

The influence of various material and computational parameters such as interface kinetic coefficient(β), surface energy(σ), anisotropy parameter(γ) and the noise amplitude(α) upon microsegregation patterns during the crystal growth was investigated by using the phase-field model which incorporated the concentration field equations. The computed results indicate that, when the appropriate value is assigned to α, the fluctuant scope of solute composition in the solid is steady, and the influence of α on microsegregation is small; the larger the interface kinetic coefficient β, the more acutely the solute composition in the solid fluctuates, but the severity of microsegregation in the front interface reduces; with the increment of anisotropy parameter γ, the fluctuation of solute composition in the solid becomes more acutely, and the severity of microsegregation in the front interface aggravates; the larger surface energy σ, the smaller the fluctuant scope of solute composition in the solid is, and the smaller the degree of microsegregation is.

Microscopic phase-field simulation for nucleation incubation time of Ni_(75)Al_xV_(25-x)alloy

With the microscopic phase-field dynamic model, the effects of temperature and concentration on the nucleation incubation time of Ni 75AlxV 25-xalloy were studied and the relation between the incubation time and precipitation mechanism was investigated by using the atomic occupation probability picture and average order parameter curve. The simulation results demonstrate that there exists the incubation time for different precipitation mechanisms, such as non-classical nucleation, the mixed style of non-classical nucleation and spinodal decomposition, and spinodal ordering; and the incubation time shortens in turn for the three kinds of mechanisms. With the increase of Al content of Ni 75AlxV 25-xalloy, the incubation time of L12 phases shortens continuously and that of D0 22phases is prolonged. The effects of temperature on the incubation time of L12 and D0 22phases are accordant, i.e. the incubation time is greatly prolonged with the temperature rising.

Phase-field simulation of formation of cellular dendrites and fine cellular structures at high growth velocities during directional solidification of Ti_(56) Al_(44) alloy

A phase-field model whose free energy of the solidification system derived from the Calphad thermodynamic modeling of phase diagram was used to simulate formation of cellular dendrites and fine cellular structures of Ti56Al44 alloy during directional solidification at high growth velocities. The liquid-solid phase transition of L→β was chosen. The dynamics of breakdown of initially planar interfaces into cellular dendrites and fine cellular structures were shown firstly at two growth velocities. Then the unidirectional free growths of two initial nucleations evolving to fine cellular dendrites were investigated. The tip splitting phenomenon is observed and the negative temperature gradient in the liquid represents its supercooling directional solidification. The simulation results show the realistic evolution of interfaces and microstructures and they agree with experimental one.

Microscopic phase-field simulation of Cr atom substitution character during formation of L1_2 and DO_22 phases in Ni-Cr-Al alloy

The simulations of Cr atom substitution character during the formation of L12 and DO22 phases in Ni-Cr-Al alloy were performed at 873 K based on microscopic phase-field model. It is found that the substitution of Cr is affected by Cr and Al contents and limits of occupation probabilities of Cr atom in L12 phase are present. The precipitate is single L12 phase when the component is less than the limit, Cr atoms substitute the Al sublattices in L12 phase, and both of atoms Al and Cr occupy the β-sites and complex phases Ni3(Al1?xCrx) are formed; Cr atoms enter Ni sites when Al and Cr contents exceed the limit, and substitute β-sites or both of α- and β-sites. The DO22 phase is formed at the boundary of L12 phase.

Microscopic phase-field simulation coupled with elastic strain energy for precipitation process of Ni-Cr-Al alloys with low Al content

The precipitation process of Ni-Cr-Al alloy with low Al content was studied at atomic scale based on the microscopicphase-field kinetic model coupled with elastic strain energy.The aim is to investigate the effect of elastic strain energy onprecipitation mechanism and morphological evolution of the alloy.The simulation results show that in the early stage of precipitation,D022 phase and L12 phase present irregular shape,and they randomly distribute in the matrix.With the progress of aging,L12 phaseand D022 phase change into the quadrate shape and their orientations become more obvious.In the later stage,L12 phase and D022phase present quadrate shape with round corner and align along the[100]and[010]directions,and highly preferential selectedmicrostructure is formed.The mechanism of early precipitation of L12 phase in Ni-17%Cr-7.5%Al(mole fraction)alloy is the mixedstyle of non-classical nucleation growth and spinodal decomposition and the D022 phase is the spinodal decomposition.Themechanisms of early precipitation of L12 phase and D022 phase in Ni-12.5%Cr-7.5%Al alloy are both the non-classical nucleationand growth.The coarsening process follows the rule of preferential selected coarsening.

Phase-field simulation of dendritic sidebranching induced by thermal noise

The influence of undercooling and noise magnitude on dendritic sidebranching during crystal growth was investigated by simulation of a phase-field model which incorporates thermal noise. It is shown that, the sidebranching is not influenced with inclusion of the nonconserved noise, therefore, in order to save the computational costs it is often neglected; while conserved noise drives the morphological instability and is dominant origin of sidebranching. The dependence of temperature field on magnitude of thermal noise is apparent, when F_u gets an appropriate value, noise can induce sidebranching but not influence the dendritic tip operating state. In the small undercooled melt, the thermal diffusion layer collected around the dendrite is thick, which suppresses the growth of its sidebranching and makes the dendrite take on the morphology of no sidebranching, but when the undercooling is great, the thermal diffusion layer is thin, which is advantageous to the growth of the sidebranching and the dendrite presents the morphology of the developed sidebranching.

基于Plant Simulation的化纤自动落丝系统仿真实验分析

基于Plant Simulation软件,构建一种化纤自动落丝系统的3D数字化模型,对系统效率关键输入因子进行参数化设置,将系统各工位三维数字模型导入软件中建立层次化运动机构图形结构,并运用Simltalk语言实现三维动作仿真,通过基础物理参数设置,保证了仿真数字化模型与现实系统更具一致性。通过多级实验设计分析了系统影响因子对于系统效率的影响特性曲线,并进一步通过动态参数化实验方法,计算出双输入因子对系统效能影响的敏感度。该实验结果可为化纤自动落丝系统的建设成本控制与可行性分析提供指导,具有较好的工程应用价值。

基于Simulation X的多轴转向系统功能安全仿真分析

基于ISO 26262《道路车辆功能安全》的标准要求,对特种车的多轴电液转向系统进行分析,以提高系统的安全性和可靠性。运用Simulation X软件建立详细的多轴特种车仿真模型,通过模拟故障模式注入进行仿真试验。对仿真结果和数据进行分析,评估得到故障的严重性、暴露度和可控性,从而确定相应的汽车安全完整性等级。基于故障注入仿真的汽车功能安全分析方法,在系统早期设计阶段可以作为评估架构安全性的重要手段。

基于Plant Simulation的压气机叶片型线加工产线分析与优化

运用专业仿真软件Plant Simulation,根据压气机叶片型线机械加工工艺特点和物料运行流程建立生产线仿真模型,从产能、设备利用率及产线瓶颈等多方面进行仿真分析与优化。结果表明:Plant Simulation仿真平台的仿真可以找出规划设计方案中存在的问题并验证方案的合理性。该仿真结果为型线机械加工产线的优化设计提供了可靠依据,达到了节约投资成本和缩短设计周期的目的。

The Probability Density Function Related to Shallow Cumulus Entrainment Rate and Its Influencing Factors in a Large-Eddy Simulation

The process of entrainment-mixing between cumulus clouds and the ambient air is important for the development of cumulus clouds.Accurately obtaining the entrainment rate(λ)is particularly important for its parameterization within the overall cumulus parameterization scheme.In this study,an improved bulk-plume method is proposed by solving the equations of two conserved variables simultaneously to calculateλof cumulus clouds in a large-eddy simulation.The results demonstrate that the improved bulk-plume method is more reliable than the traditional bulk-plume method,becauseλ,as calculated from the improved method,falls within the range ofλvalues obtained from the traditional method using different conserved variables.The probability density functions ofλfor all data,different times,and different heights can be well-fitted by a log-normal distribution,which supports the assumed stochastic entrainment process in previous studies.Further analysis demonstrate that the relationship betweenλand the vertical velocity is better than other thermodynamic/dynamical properties;thus,the vertical velocity is recommended as the primary influencing factor for the parameterization ofλin the future.The results of this study enhance the theoretical understanding ofλand its influencing factors and shed new light on the development ofλparameterization.