Phase-field lattice-Boltzmann study on fully coupled thermal-solute-convection dendrite growth of Al-Cu alloy

Dendrite growth is a complex liquid-solid phase transition process involving multiple physical factors.A phase-field lattice-Boltzmann method was developed to simulate the two-and three-dimension dendrite growth of Al-Cu alloy.The effect of fully coupled thermal-solute-convection interaction on the dendrite growth was investigated by incorporating a parallel-adaptive mesh refinement algorithm into the numerical model.By accurately reproducing the latent heat release,solute diffusion and convective transport behaviors at the liquidsolid interface,the interaction mechanism among thermal-solute-convection transport as well as their coupling effects on the dendrite growth dynamics were discussed.The simulation results show that the release of latent heat slows down the dendrite growth rate,and both natural and forced convection disrupt the symmetrical growth of dendrites.Their combination makes the growth of dendrites more complex,capturing important physical aspects such as recalescence,dendrite tip splitting,dendrite tilting,dendrite remelting,and solute plume in the simulation case.Based on the robustness and powerful ability of the numerical model,the formation mechanisms of these physical aspects were revealed.

Comparative study on phase transition behaviors of fractional molecular field theory and random-site Ising model

Fractional molecular field theory(FMFT)is a phenomenological theory that describes phase transitions in crystals with randomly distributed components,such as the relaxor-ferroelectrics and spin glasses.In order to verify the feasibility of this theory,this paper fits it to the Monte Carlo simulations of specific heat and susceptibility versus temperature of two-dimensional(2D)random-site Ising model(2D-RSIM).The results indicate that the FMFT deviates from the 2D-RSIM significantly.The main reason for the deviation is that the 2D-RSIM is a typical system of component random distribution,where the real order parameter is spatially heterogeneous and has no symmetry of space translation,but the basic assumption of FMFT means that the parameter is spatially uniform and has symmetry of space translation.

Bifurcation Analysis Reveals Solution Structures of Phase Field Models

The phase field method is playing an increasingly important role in understanding and predicting morphological evolution in materials and biological systems.Here,we develop a new analytical approach based on the bifurcation analysis to explore the mathematical solution structure of phase field models.Revealing such solution structures not only is of great mathematical interest but also may provide guidance to experimentally or computationally uncover new morphological evolution phenomena in materials undergoing electronic and structural phase transitions.To elucidate the idea,we apply this analytical approach to three representative phase field equations:the Allen-Cahn equation,the Cahn-Hilliard equation,and the Allen-Cahn-Ohta-Kawasaki system.The solution structures of these three phase field equations are also verified numerically by the homotopy continuation method.

Stress-corrosion coupled damage localization induced by secondary phases in bio-degradable Mg alloys:phase-field modeling

In this study,a phase-field scheme that rigorously obeys conservation laws and irreversible thermodynamics is developed for modeling stress-corrosion coupled damage(SCCD).The coupling constitutive relationships of the deformation,phase-field damage,mass transfer,and electrostatic field are derived from the entropy inequality.The SCCD localization induced by secondary phases in Mg is numerically simulated using the implicit iterative algorithm of the self-defined finite elements.The quantitative evaluation of the SCCD of a C-ring is in good agreement with the experimental results.To capture the damage localization,a micro-galvanic corrosion domain is defined,and the buffering effect on charge migration is explored.Three cases are investigated to reveal the effect of localization on corrosion acceleration and provide guidance for the design for resistance to SCCD at the crystal scale.

Simulation of Corrosion-Induced Cracking of Reinforced Concrete Based on Fracture Phase Field Method

Accurate simulation of the cracking process caused by rust expansion of reinforced concrete(RC)structures plays an intuitive role in revealing the corrosion-induced failure mechanism.Considering the quasi-brittle fracture of concrete,the fracture phase field driven by the compressive-shear term is constructed and added to the traditional brittle fracture phase field model.The rationality of the proposed model is verified by a mixed fracture example under a shear displacement load.Then,the extended fracture phase model is applied to simulate the corrosion-induced cracking process of RC.The cracking patterns caused by non-uniform corrosion expansion are discussed for RC specimens with homogeneous macroscopically or heterogeneous with different polygonal aggregate distributions at the mesoscopic scale.Then,the effects of the protective layer on the crack propagation trajectory and cracking resistance are investigated,illustrating that the cracking angle and cracking resistance increase with the increase of the protective layer thickness,consistent with the experimental observation.Finally,the corrosion-induced cracking process of concrete specimens with large and small spacing rebars is simulated,and the interaction of multiple corrosion cracking is easily influenced by the reinforcement spacing,which increases with the decrease of the steel bar interval.These conclusions play an important role in the design of engineering anti-corrosion measures.The fracture phase field model can provide strong support for the life assessment of RC structures.

Diagnosing ratio of electron density to collision frequency of plasma surrounding scaled model in a shock tube using low-frequency alternating magnetic field phase shift

A non-contact low-frequency(LF)method of diagnosing the plasma surrounding a scaled model in a shock tube is proposed.This method utilizes the phase shift occurring after the transmission of an LF alternating magnetic field through the plasma to directly measure the ratio of the plasma loop average electron density to collision frequency.An equivalent circuit model is used to analyze the relationship of the phase shift of the magnetic field component of LF electromagnetic waves with the plasma electron density and collision frequency.The applicable range of the LF method on a given plasma scale is analyzed.The upper diagnostic limit for the ratio of the electron density(unit:m^(-3))to collision frequency(unit:Hz)exceeds 1×10^(11),enabling an electron density to exceed 1×10^(20)m^(-3)and a collision frequency to be less than 1 GHz.In this work,the feasibility of using the LF phase shift to implement the plasma diagnosis is also assessed.Diagnosis experiments on shock tube equipment are conducted by using both the electrostatic probe method and LF method.By comparing the diagnostic results of the two methods,the inversion results are relatively consistent with each other,thereby preliminarily verifying the feasibility of the LF method.The ratio of the electron density to the collision frequency has a relatively uniform distribution during the plasma stabilization.The LF diagnostic path is a loop around the model,which is suitable for diagnosing the plasma that surrounds the model.Finally,the causes of diagnostic discrepancy between the two methods are analyzed.The proposed method provides a new avenue for diagnosing high-density enveloping plasma.

Phase field model for electric-thermal coupled discharge breakdown of polyimide nanocomposites under high frequency electrical stress

In contrast to conventional transformers, power electronic transformers, as an integral component of new energy power system, are often subjected to high-frequency and transient electrical stresses, leading to heightened concerns regarding insulation failures. Meanwhile, the underlying mechanism behind discharge breakdown failure and nanofiller enhancement under high-frequency electrical stress remains unclear. An electric-thermal coupled discharge breakdown phase field model was constructed to study the evolution of the breakdown path in polyimide nanocomposite insulation subjected to high-frequency stress. The investigation focused on analyzing the effect of various factors, including frequency, temperature, and nanofiller shape, on the breakdown path of Polyimide(PI) composites. Additionally, it elucidated the enhancement mechanism of nano-modified composite insulation at the mesoscopic scale. The results indicated that with increasing frequency and temperature, the discharge breakdown path demonstrates accelerated development, accompanied by a gradual dominance of Joule heat energy. This enhancement is attributed to the dispersed electric field distribution and the hindering effect of the nanosheets. The research findings offer a theoretical foundation and methodological framework to inform the optimal design and performance management of new insulating materials utilized in high-frequency power equipment.

Optimal parameter space for stabilizing the ferroelectric phase of Hf_(0.5)Zr_(0.5)O_(2) thin films under strain and electric fields

Hafnia-based ferroelectric materials, like Hf_(0.5)Zr_(0.5)O_(2)(HZO), have received tremendous attention owing to their potentials for building ultra-thin ferroelectric devices. The orthorhombic(O)-phase of HZO is ferroelectric but metastable in its bulk form under ambient conditions, which poses a considerable challenge to maintaining the operation performance of HZO-based ferroelectric devices. Here, we theoretically addressed this issue that provides parameter spaces for stabilizing the O-phase of HZO thin-films under various conditions. Three mechanisms were found to be capable of lowering the relative energy of the O-phase, namely, more significant surface-bulk portion of(111) surfaces, compressive c-axis strain,and positive electric fields. Considering these mechanisms, we plotted two ternary phase diagrams for HZO thin-films where the strain was applied along the in-plane uniaxial and biaxial, respectively. These diagrams indicate the O-phase could be stabilized by solely shrinking the film-thickness below 12.26 nm, ascribed to its lower surface energies. All these results shed considerable light on designing more robust and higher-performance ferroelectric devices.

Exploration of the coupled lattice Boltzmann model based on a multiphase field model:A study of the solid-liquid-gas interaction mechanism in the solidification process

A multiphase field model coupled with a lattice Boltzmann(PF-LBM)model is proposed to simulate the distribution mechanism of bubbles and solutes at the solid-liquid interface,the interaction between dendrites and bubbles,and the effects of different temperatures,anisotropic strengths and tilting angles on the solidified organization of the SCN-0.24wt.%butanedinitrile alloy during the solidification process.The model adopts a multiphase field model to simulate the growth of dendrites,calculates the growth motions of dendrites based on the interfacial solute equilibrium;and adopts a lattice Boltzmann model(LBM)based on the Shan-Chen multiphase flow to simulate the growth and motions of bubbles in the liquid phase,which includes the interaction between solid-liquid-gas phases.The simulation results show that during the directional growth of columnar dendrites,bubbles first precipitate out slowly at the very bottom of the dendrites,and then rise up due to the different solid-liquid densities and pressure differences.The bubbles will interact with the dendrite in the process of flow migration,such as extrusion,overflow,fusion and disappearance.In the case of wide gaps in the dendrite channels,bubbles will fuse to form larger irregular bubbles,and in the case of dense channels,bubbles will deform due to the extrusion of dendrites.In the simulated region,as the dendrites converge and diverge,the bubbles precipitate out of the dendrites by compression and diffusion,which also causes physical phenomena such as fusion and spillage of the bubbles.These results reveal the physical mechanisms of bubble nucleation,growth and kinematic evolution during solidification and interaction with dendrite growth.

基于CTA颅内动脉瘤形态联合PHASES评分对破裂出血预测研究

目的:分析头颈部计算机断层扫描血管成像(CTA)联合PHASES评分对颅内动脉瘤(IA)破裂出血的预测价值。方法:回顾性分析2021年10月—2023年9月东莞市长安医院诊治的IA患者临床资料,根据IA破裂出血与否分为IA破裂组(n=46)和IA未破裂组(n=44),收集两组临床资料,对比两组患者CTA影像瘤体特征参数和PHASES评分结果。采用受试者工作特征(ROC)曲线分析两者联合预测动脉瘤破裂的效能。结果:IA破裂组高血压、糖尿病发生率及PHASES评分均高于IA未破裂组,差异有统计学意义(P <0.05)。两组病灶位置以颈内动脉(ICA)和大脑中动脉(MCA)为主,但IA破裂组病灶位置在MCA的占比为41.30%,高于IA未破裂组的20.45%,瘤体>7 mm的最多(瘤体7~9.9 mm占65.22%),瘤体形态不规则占58.7%,未破裂组病灶位置在ICA最多(68.18%),瘤体<7 mm的居多(75.00%),瘤体形态规则囊状动脉瘤占93.18%,差异有统计学意义(P <0.05)。CTA瘤体特征参数比较,IA破裂组患者瘤颈宽度、瘤体高度、瘤体长度、动脉瘤最大直径、入射夹角、动脉瘤体颈比等参数均高于IA未破裂组,差异有统计学意义(P <0.05)。CTA瘤体特征参数+PHASES评分联合预测曲线下面积为0.916,高于CTA瘤体特征参数(0.901)和PHASES评分(0.731)。结论:CTA瘤体特征参数+PHASES评分联合预测IA患者破裂出血效能最佳。

Parameter identification for a damage phase field model using a physics-informed neural network

This work applies concepts of artificial neural networks to identify the parameters of a mathematical model based on phase fields for damage and fracture.Damage mechanics is the part of the continuum mechanics that models the effects of micro-defect formation using state variables at the macroscopic level.The equations that define the model are derived from fundamental laws of physics and provide important relationships among state variables.Simulations using the model considered in this work produce good qualitative and quantitative results,but many parameters must be adjusted to reproduce certain material behavior.The identification of model parameters is considered by solving an inverse problem that uses pseudo-experimental data to find the best values that fit the data.We apply physics informed neural network and combine some classical estimation methods to identify the material parameters that appear in the damage equation of the model.Our strategy consists of a neural network that acts as an approximating function of the damage evolution with output regularized using the residue of the differential equation.Three stages of optimization seek the best possible values for the neural network and the material parameters.The training alternates between the fitting of only the pseudo-experimental data or the total loss that includes the regularizing terms.We test the robustness of the method to noisy data and its generalization capabilities using a simple physical case for the damage model.This procedure deals better with noisy data in comparison with a more standard PDE-constrained optimization method,and it also provides good approximations of the material parameters and the evolution of damage.

Assessing the predictive capabilities of precipitation strengthening models for deformation twinning in Mg alloys using phase-field simulations

Precipitation strengthening is a key strategy for improving the overall mechanical properties of Mg alloys. In Mg-Al alloys, basal precipitates are known to strengthen against twinning, resulting in an increase in the critical resolved shear stress(CRSS) necessary for continued deformation. Although several models have been proposed to quantify the influence of precipitate shape, size, and distribution on the CRSS, the accuracy, scope, and applicability of these models has not been fully assessed. Accordingly, the objectives of this study are:(i)to analyze the accuracy of analytical models proposed in the literature for precipitation strengthening against twin thickening and propagation(in Mg-Al alloys) using phase-field(PF) simulations,(ii) to propose modifications to these model forms to better capture the observed trends in the PF data, and(iii) to subsequently test the predictiveness of the extended models in extrapolating to experimental strengthening data.First, using an atomistically-informed phase-field method, the interactions between migrating twin boundaries(during the propagation and thickening stages) and basal plates are simulated for different precipitate sizes and arrangements. In general, comparison of the increase in CRSS determined from the PF simulations and the predictions from four precipitation strengthening models reveals that modifications are necessary to the model forms to extend their applicability to precipitation strengthening against both twin thickening and propagation. A subsequent comparison between predictions from the extended models and experimental strengthening data for peak age-hardened samples reveals that the(extended) single dislocation and dislocation wall models provide reasonably accurate values of the increase in CRSS.Ultimately, the results presented here help elucidate the fidelity and applicability of the various hardening models in predicting precipitation strenghtening effects in technologically important alloys.

Phase transition in bilayer quantum Hall system with opposite magnetic field

We construct a mapped bilayer quantum Hall system to realize the proposal that two nearly flatbands have opposite Chern numbers.For the C=±1 case,the two Landau levels of the bilayer experience opposite magnetic fields.We consider a mapped bilayer quantum Hall system at total fillingν_(t)=1/2+1/2where the intralayer interaction is repulsive and the interlayer interaction is attractive.We take exact diagonalization(ED)calculations on a torus to study the phase transition when the separation distance d/l_(B)is driven.The critical point at d_(c)/l_(B)=0.68 is characterized by a collapse of degeneracy and a crossing of energy levels.In the region d/l_(B)<d_(c)/l_(B),the states of each level are highly degenerate.The pair-correlation function indicates electrons with opposite pseudo-spins are strong correlated at r=0.We find an exciton stripe phase composed of bound pairs.The ferromagnetic ground state is destroyed by the strong effective attractive potential.An electron composite-Fermion(eCF)and a hole composite Fermion(hCF)are tightly bound.In the region d/lB>d_(c)/l_(B),a crossover from the d→d_(c)limit to the large d limit is observed.The electron and hole composite Fermion liquids(CFL)are realized by composite Fermions(CF)which attach opposite fluxes,respectively.

Phase field simulation of grain refinement in silver-based filler metal

Numerical simulation is one of the important auxiliary methods for studying materials-related problems. In this study, phase field simulation was employed to investigate the refinement behavior of BAg55CuZn-x B brazing alloys. Simulation and experimental studies were conducted for B contents ranging from 0 wt.% to 0.2 wt.%. The results demonstrated that the addition of 0.05 wt.% B in the brazing alloy leads to a significant refinement effect. As the B content increases, the grain size further reduces, and a refinement stagnation phenomenon occurs after exceeding 0.15 wt.%. The solidification process of brazing alloys with different B content was predicted by simulation, and the simulation results showed that with the increase of B content, the initial number of nucleation increased, and the radius of the dendrite tip decreased. The simulation results are in good agreement with the experimental findings, providing further evidence of the refining effect of the B element and the reliable predictive capability of the phase field model.

A modified damage and fracture phase field model considering heterogeneity for rock‐like materials

Damage and fracture are the most extensive failure modes of rock materials,which may easily induce disaster and instability of engineering structures.This study developed a nonlocal damage fracture phase field model for rocks considering the heterogeneity of rocks.The modified phase field model introduced the heterogeneity of fracture parameters and modified the governing equations.Meanwhile,the free energy was constructed by the elastic strain energy sphere‐bias decomposition and the plastic strain energy.As for the numerical implementation,the three layers finite elements method structure was used in the frame of the finite element method.The ability of the modified phase field model has been illustrated by reproducing the experiment results of rock samples with pre‐existing cracks under compression.

Application of Fluid Phase Recovery Method in the Early Development of BZ26-6 Volatile Oil Field in Bohai Sea

BZ26-6 Oilfield is a kind of deep metamorphic rock buried-hill volatile oilfield in Bohai Sea, China. Its early development plan is restricted due to the simultaneous production of oil and gas in large sections of reservoirs, unclear understanding of formation fluid properties and uncertainty of gas-oil interface. Through theoretical research on phase recovery and experimental analysis of crude oil phase characteristics in the original formation, characteristic parameters of the equilibrium condensate gas fluid are restored and calculated. Through the superimposed phase diagram of volatile oil and condensate gas, BZ26-6 Oilfield is determined to be a volatile oil reservoir with a condensate gas cap, with formation pressure and saturation pressure of 36.1 MPa, respectively. Based on the research results of oil-gas phase behavior characteristics, the thermodynamic equations and equation of state are jointly used to solve the problem, and the content change curves of each component at different depths are drawn. Combined with the sensitivity analysis of numerical simulation, the gas-oil interface is determined to be -3726 m above sea level. The fluid phase analysis software, Fluidmodeler, is used to simulate volatile oil degassing and condensate gas separation experiments. In combination with oil and gas production data obtained through the production test, the specific oil recovery index and the specific gas recovery index are determined to be 0.408 m3/(MPa·d·m) and 1195 m3/(MPa·d·m), respectively. And the reasonable production capacity prediction is conducted on the early development of BZ26-6 Oilfield. The research results can provide a theoretical basis for the efficient development of similar complex oil and gas reservoirs.

基于PIPEPHASE的苏南采出水外输系统模拟研究

采出水外输是各大气田生产过程中保证气田产量和完善气田开发效果的重要途径。苏南气田采出水外输系统是一个复杂的流体网络系统,系统需要在不同状态下对外输方式进行调整。基于集气站、输水阀室、输水管线、处理厂的空间分布和拓扑结构关系,利用PIPEPHASE稳态多相流模拟计算软件,建立包含管网设施和参数的气田采出水外输系统模型;通过黏密度检测分析、阴阳离子色谱实验等明确了外输系统中的介质组分,进而开展仿真模拟;通过误差修正后的模型开展模拟计算,得出不同状态下各节点单元的压力和流量。结果表明:外部气温变化造成的介质温度改变会对外输系统产生小幅影响,通过对比不同分配分输方式的模拟计算结果与现场生产数据,验证了模型的合理性。研究结果可以为苏南气田现场生产提供参考。

Drilling-based measuring method for the c-φ parameter of rock and its field application

The technology of drilling tests makes it possible to obtain the strength parameter of rock accurately in situ. In this paper, a new rock cutting analysis model that considers the influence of the rock crushing zone(RCZ) is built. The formula for an ultimate cutting force is established based on the limit equilibrium principle. The relationship between digital drilling parameters(DDP) and the c-φ parameter(DDP-cφ formula, where c refers to the cohesion and φ refers to the internal friction angle) is derived, and the response of drilling parameters and cutting ratio to the strength parameters is analyzed. The drillingbased measuring method for the c-φ parameter of rock is constructed. The laboratory verification test is then completed, and the difference in results between the drilling test and the compression test is less than 6%. On this basis, in-situ rock drilling tests in a traffic tunnel and a coal mine roadway are carried out, and the strength parameters of the surrounding rock are effectively tested. The average difference ratio of the results is less than 11%, which verifies the effectiveness of the proposed method for obtaining the strength parameters based on digital drilling. This study provides methodological support for field testing of rock strength parameters.

Field test of high-power microwave-assisted mechanical excavation for deep hard iron ore

Microwave-assisted mechanical excavation has great application prospects in mines and tunnels,but there are few field experiments on microwave-assisted rock breaking.This paper takes the Sishanling iron mine as the research object and adopts the self-developed high-power microwave-induced fracturing test system for hard rock to conduct field experiments of microwave-induced fracturing of iron ore.The heating and reflection evolution characteristics of ore under different microwave parameters(antenna type,power,and working distance)were studied,and the optimal microwave parameters were obtained.Subsequently,the ore was irradiated with the optimal microwave parameters,and the cracking effect of the ore under the action of the high-power open microwave was analyzed.The results show that the reflection coefficient(standing wave ratio)can be rapidly(<5 s)and automatically adjusted below the preset threshold value(1.6)as microwave irradiation is performed.When using a right-angle horn antenna with a working distance of 5 cm,the effect of automatic reflection adjustment reaches the best among other antenna types and working distances.When the working distance is the same,the average temperature of the irradiation surface and the area of the high-temperature area under the action of the two antennas(right-angled and equal-angled horn antenna)are basically the same and decrease with the increase of working distance.The optimal microwave parameters are:a right-angle horn antenna with a working distance of 5 cm.Subsequently,in further experiments,the optimal parameters were used to irradiate for 20 s and 40 s at a microwave power of 60 kW,respectively.The surface damage extended 38 cm×30 cm and 53 cm×30 cm,respectively,and the damage extended to a depth of about 50 cm.The drilling speed was increased by 56.2%and 66.5%,respectively,compared to the case when microwaves were not used.

Shikimic acid accelerates phase change and flowering in Chinese jujube

The juvenile-to-adult phase change with first flowering as the indicator plays a crucial role in the lifecycle of fruit trees. However, the molecular mechanisms underlying phase change in fruit trees remain largely unknown. Shikimic acid (ShA) pathway is a main metabolic pathway closely related to the synthesis of hormones and many important secondary metabolites participating in plant phase change. So,whether ShA regulates phase change in plants is worth clarifying. Here, the distinct morphological characteristics and the underlying mechanisms of phase change in jujube (Ziziphus jujuba Mill.), an important fruit tree native to China with nutritious fruit and outstanding tolerance abiotic stresses, were clarified. A combined transcriptome and metabolome analysis found that ShA is positively involved in jujube(Yuhong’×Xing 16’) phase change. The genes in the upstream of ShA synthesis pathway (ZjDAHPS, ZjDHQS and ZjSDH), the contents of ShA and the downstream secondary metabolites like phenols were significantly upregulated in the phase change period. Further, the treatment of spraying exogenous ShA verified that ShA at a very low concentration (60 mg·L^(-1)) can substantially speed up the phase change and flowering of jujube and other tested plants including Arabidopsis, tomato and wheat. The exogenous ShA (60 mg·L^(-1)) treatment in jujube seedlings could increase the accumulation of endogenous ShA, enhance leaf photosynthesis and the synthesis of phenols especially flavonoids and phenolic acids, and promote the expression of genes (ZjCOs, ZjNFYs and ZjPHYs) involved in flowering pathway. Basing on above results, we put forward a propose for the underlying mechanism of ShA regulating phase change, and a hypothesis that ShA could be considered a phytohormone-like substance because it is endogenous, ubiquitous, movable and highly efficient at very low concentrations. This study highlights the critical role of ShA in plant phase change and its phytohormone-like properties.