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.

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.

Phase equilibrium modelling of the amphibolite facies metamorphism in the Yelapa-Chimo Metamorphic Complex, Mexico

The Yelapa-Chimo Metamorphic Complex forms part of the Jalisco Block in western Mexico and exposes a wide range of Early Cretaceous metamorphic rocks;such as paragneiss,orthogneiss,amphibolites,and migmatites.However,the pressure-temperature(P-T)conditions of metamorphism and partial melting remain poorly studied in the region.To elucidate metamorphic P-T conditions,phase equilibrium modelling was applied to two sillimanite-garnet paragneisses,one amphibole-orthogneiss,and one amphibolite.Sillimanite-garnet paragneisses exhibit a lepidoblastic texture with a biotite+sillimanite+kyanite+garnet+quartz+plagioclase+K-feldspar mineral assemblage.Amphibole-orthogneiss and amphibolite display a nematoblastic texture with an amphibole+(1)plagioclase+quartz+(1)titanite assemblage and an amphibole+(2)plagioclase+(2)titanite+ilmenite retrograde mineral assemblage.Pseudosections calculated for the two sillimanite-garnet paragneiss samples show P-T peak conditions at~6-7.5 kbar and~725-740℃.The results for amphibole-orthogneiss and the amphibolite yield P-T peak conditions at~8.5-10 kbar and~690-710℃.The mode models imply that metasedimentary and metaigneous units can produce up to~20 vol%and~10 vol%of melt,respectively.Modelling within a closed system during isobaric heating suggests that melt compositions of metasedimentary and metaigneous units are likely to have direct implications for the petrogenesis of the Puerto Vallarta Batholith.Our new data indicate that the Yelapa-Chimo Metamorphic Complex evolved through a metamorphic gradient between~23-33℃km^-1and the metamorphic rocks formed at depths between~22 km and~30 km with a burial rate of~2.0 km Ma^-1.Finally,the P-T data for both metasedimentary and metaigneous rocks provide new constraints on an accretionary framework,which is responsible for generating metamorphism and partial melting in the YelapaChimo Metamorphic Complex during the Early Cretaceous.

Fracture propagation laws of staged hydraulic fracture in fractured geothermal reservoir based on phase field model

Hydraulic fracturing is widely used in geothermal resource exploitation, and many natural fractures exist in hot dry rock reservoirs due to in-situ stress and faults. However, the infuence of natural fractures on hydraulic fracture propagation is not considered in the current study. In this paper, based on the phase feld model, a thermo-hydro-mechanical coupled hydraulic fracture propagation model was established to reveal the infuence of injection time, fracturing method, injection fow rate, and natural fracture distribution on the fracture propagation mechanism. The results show that fracture complexity increases with an increase in injection time. The stress disturbance causes the fracture initiation pressure of the second cluster signifcantly higher than that of the frst and third clusters. The zipper-type fracturing method can reduce the degree of stress disturbance and increase fracture complexity by 7.2% compared to simultaneous hydraulic fracturing. Both low and high injection fow rate lead to a decrease in fracture propagation time, which is not conducive to an increase in fracture complexity. An increase in the natural fracture angle leads to hydraulic fracture crossing natural fracture, but has a lesser efect on fracture complexity. In this paper, we analyzed the infuence of diferent factors on initiation pressure and fracture complexity, providing valuable guidance for the exploitation of geothermal resources.

Metamorphic P-T conditions and ages of garnet-biotite schists in the Dahongshan Group from the southwestern Yangtze Block

The Dahongshan Group,situated at the southwestern margin of the Yangtze Block,represents a geological unit characterized by relatively high-grade metamorphism in the region.This paper investigates the garnet-biotite schist from the Laochanghe Formation of the Dahongshan Group,employing an integrated approach that includes petrological analysis,phase equilibrium modeling,and zircon U-Pb dating.The schist is mainly composed of garnet,biotite,plagioclase,quartz,rutile,and ilmenite.Phase equilibrium modeling revealed the peak metamorphic conditions of 8-9 kbar and 635-675°C.By further integrating the prograde metamorphic profile of garnet and geothermobarometric results,a clockwise P-T metamorphic evolution path is constructed,which includes an increase in temperature and pressure during the prograde stage.LA-ICP-MS zircon U-Pb dating and zircon Ti thermometry constrains the post-peak metamorphic age of 831.2±7.2 Ma.Integrated with previously reported results,it is revealed that the southwestern margin of the Yangtze Block experienced a large-scale regional metamorphism during the Neoproterozoic(890-750 Ma),which is related to the collisional orogenic process.This may be associated with the late-stage assembly of the Rodinia supercontinent or with local compression and subduction processes during the breakup of the Rodinia supercontinent.

Towards data-efficient mechanical design of bicontinuous composites usinggenerative AI

The distribution of material phases is crucial to determine the composite’s mechanical property.While the full structure-mechanics relationship of highly ordered material distributions can be studied with finite number of cases,this relationship is difficult to be revealed for complex irregular distributions,preventing design of such material structures to meet certain mechanical requirements.The noticeable developments of artificial intelligence(AI)algorithms in material design enables to detect the hidden structure-mechanics correlations which is essential for designing composite of complex structures.It is intriguing how these tools can assist composite design.Here,we focus on the rapid generation of bicontinuous composite structures together with the stress distribution in loading.We find that generative AI,enabled through fine-tuned Low Rank Adaptation models,can be trained with a few inputs to generate both synthetic composite structures and the corresponding von Mises stress distribution.The results show that this technique is convenient in generating massive composites designs with useful mechanical information that dictate stiffness,fracture and robustness of the material with one model,and such has to be done by several different experimental or simulation tests.This research offers valuable insights for the improvement of composite design with the goal of expanding the design space and automatic screening of composite designs for improved mechanical functions.

Comparative Assessment of Impacts of Future Climate Change on Runoff in Upper Daqinghe Basin,China

Assessing runoff changes is of great importance especially its responses to the projected future climate change on local scale basins because such analyses are generally done on global and regional scales which may lead to generalized conclusions rather than specific ones.Climate change affected the runoff variation in the past in the upper Daqinghe Basin,however,the climate was mainly considered uncertain and still needs further studies,especially its future impacts on runoff for better water resources management and planning.Integrated with a set of climate simulations,a daily conceptual hydrological model(MIKE11-NAM)was applied to assess the impact of climate change on runoff conditions in the Daomaguan,Fuping and Zijingguan basins in the upper Daqinghe Basin.Historical hydrological data(2008–2017)were used to evaluate the applicability of the MIKE11-NAM model.After bias correction,future projected climate change and its impacts on runoff(2025–2054)were analysed and compared to the baseline period(1985–2014)under three shared social economic pathways(SSP1-2.6,SSP2-4.5,and SSP5-8.5)scenarios from Coupled Model Intercomparison Project Phase 6(CMIP6)simulations.The MIKE-11 NAM model was applicable in all three Basins,with both R^(2)and Nash-Sutcliffe Efficiency coefficients greater than 0.6 at daily scale for both calibration(2009–2011)and validation(2012–2017)periods,respectively.Although uncertainties remain,temperature and precipitation are projected to increase compared to the baseline where higher increases in precipitation and temperature are projected to occur under SSP2-4.5 and SSP5-8.5 scenarios,respectively in all the basins.Precipitation changes will range between 12%–19%whereas temperature change will be 2.0℃–2.5℃ under the SSP2-4.5 and SSP5-8.5 scenarios,respectively.In addition,higher warming is projected to occur in colder months than in warmer months.Overall,the runoff of these three basins is projected to respond to projected climate changes differently because runoff is projected to only increase in the Fuping basin under SSP2-4.5 whereas decreases in both Daomaguan and Zijingguan Basins under all scenarios.This study’s findings could be important when setting mitigation strategies for climate change and water resources management.

A CMIP6-based assessment of regional climate change in the Chinese Tianshan Mountains

Climate warming profoundly affects hydrological changes,agricultural production,and human society.Arid and semi-arid areas of China are currently displaying a marked trend of warming and wetting.The Chinese Tianshan Mountains(CTM)have a high climate sensitivity,rendering the region particularly vulnerable to the effects of climate warming.In this study,we used monthly average temperature and monthly precipitation data from the CN05.1 gridded dataset(1961-2014)and 24 global climate models(GCMs)of the Coupled Model Intercomparison Project Phase 6(CMIP6)to assess the applicability of the CMIP6 GCMs in the CTM at the regional scale.Based on this,we conducted a systematic review of the interannual trends,dry-wet transitions(based on the standardized precipitation index(SPI)),and spatial distribution patterns of climate change in the CTM during 1961-2014.We further projected future temperature and precipitation changes over three terms(near-term(2021-2040),mid-term(2041-2060),and long-term(2081-2100))relative to the historical period(1961-2014)under four shared socio-economic pathway(SSP)scenarios(i.e.,SSP1-2.6,SSP2-4.5,SSP3-7.0,and SSP5-8.5).It was found that the CTM had experienced significant warming and wetting from 1961 to 2014,and will also experience warming in the future(2021-2100).Substantial warming in 1997 was captured by both the CN05.1 derived from interpolating meteorological station data and the multi-model ensemble(MME)from the CMIP6 GCMs.The MME simulation results indicated an apparent wetting in 2008,which occurred later than the wetting observed from the CN05.1 in 1989.The GCMs generally underestimated spring temperature and overestimated both winter temperature and spring precipitation in the CTM.Warming and wetting are more rapid in the northern part of the CTM.By the end of the 21st century,all the four SSP scenarios project warmer and wetter conditions in the CTM with multiple dry-wet transitions.However,the rise in precipitation fails to counterbalance the drought induced by escalating temperature in the future,so the nature of the drought in the CTM will not change at all.Additionally,the projected summer precipitation shows negative correlation with the radiative forcing.This study holds practical implications for the awareness of climate change and subsequent research in the CTM.

CMIP 6 models simulation of the connection between North/South Pacific Meridional Mode and ENSO

The subtropical North and South Pacific Meridional Modes(NPMM and SPMM)are well known precursors of El Niño-Southern Oscillation(ENSO).However,relationship between them is not constant.In the early 1980,the relationship experienced an interdecadal transition.Changes in this connection can be attributed mainly to the phase change of the Pacific decadal oscillation(PDO).During the positive phase of PDO,a shallower thermocline in the central Pacific is responsible for the stronger trade wind charging(TWC)mechanism,which leads to a stronger equatorial subsurface temperature evolution.This dynamic process strengthens the connection between NPMM and ENSO.Associated with the negative phase of PDO,a shallower thermocline over southeastern Pacific allows an enhanced wind-evaporation-SST(WES)feedback,strengthening the connection between SPMM and ENSO.Using 35 Coupled Model Intercomparison Project Phase 6(CMIP6)models,we examined the NPMM/SPMM performance and its connection with ENSO in the historical runs.The great majority of CMIP6 models can reproduce the pattern of NPMM and SPMM well,but they reveal discrepant ENSO and NPMM/SPMM relationship.The intermodal uncertainty for the connection of NPMM-ENSO is due to different TWC mechanism.A stronger TWC mechanism will enhance NPMM forcing.For SPMM,few models can simulate a good relationship with ENSO.The intermodel spread in the relationship of SPMM and ENSO owing to SST bias in the southeastern Pacific,as WES feedback is stronger when the southeastern Pacific is warmer.

Phase field modeling of dendrite growth

Single dendrite and multi-dendrite growth for Al-2 mol pct Si alloy during isothermal solidification are simulated by phase field method. In the case of single equiaxed dendrite growth, the secondary and the necking phenomenon can be observed. For multi-dendrite growth, there exists the competitive growth among the dendrites during solidification. As solidification proceeds, growing and coarsening of the primary arms occurs, together with the branching and coarsening of the secondary arms. When the diffusion fields of dendrite tips come into contact with those of the branches growing from the neighboring dendrites, the dendrites stop growing and being to ripen and thicken.

On the Liquid-Vapor Phase-Change Interface Conditions for Numerical Simulation of Violent Separated Flows

Numerous models have been proposed in the literature to include phase change into numerical simulations of two-phase flows.This review paper presents the modeling options that have been taken in order to obtain a model for violent separated flows with application to sloshing wave impacts.A relaxation model based on linear non-equilibrium thermodynamics has been chosen to compute the rate of phase change.The integration in the system of partial differential equations is done through a non-conservative advection term.For each of these modelling choices,some alternative models from the literature are presented and discussed.The theoretical framework for all phase change model(conservation equations and entropy growth)is also summarized.

Integrated Modelling of Microstructure Evolution and Mechanical Properties Prediction for Q&P Hot Stamping Process of Ultra‑High Strength Steel

High strength steel products with good ductility can be produced via Q&P hot stamping process,while the phase transformation of the process is more complicated than common hot stamping since two-step quenching and one-step carbon partitioning processes are involved.In this study,an integrated model of microstructure evolution relating to Q&P hot stamping was presented with a persuasively predicted results of mechanical properties.The transformation of diffusional phase and non-diffusional phase,including original austenite grain size individually,were considered,as well as the carbon partitioning process which affects the secondary martensite transformation temperature and the subsequent phase transformations.Afterwards,the mechanical properties including hardness,strength,and elongation were calculated through a series of theoretical and empirical models in accordance with phase contents.Especially,a modified elongation prediction model was generated ultimately with higher accuracy than the existed Mileiko’s model.In the end,the unified model was applied to simulate the Q&P hot stamping process of a U-cup part based on the finite element software LS-DYNA,where the calculated outputs were coincident with the measured consequences.

DETERMINATION OF EFFECTIVE MODULI FOR FOAM PLASTICS BASED ON THREE PHASE SPHEROIDAL MODEL

The relations of bulk modulus, shear modulus, Young's modulus and the Poisson's ratio with porosity of foam plastics are determined by a three phase spheroidal model commonly used in Composite Mechanics. The results are compared with those using differential scheme. It is shown that the material properties derived from the present model normally are larger than those obtained by differential scheme for foam plastics with identical porosity. The differences in shear moduli and Young's moduli obtained by the two methods are small but they are larger for bulk moduli of incompressible matrix and Poisson's ratios. The Young's moduli of high density foam plastics derived by the present model agree better with experimental ones.

A Phase-field Model to Simulate Recrystallization in an AZ31 Mg Alloy in Comparison of Experimental Data

A model has been established to simulate the realistic spatio-temporal microstructure evolution in recrystallization of a magnesium alloy using the phase field approach. A set of rules have been proposed to decide the real physical value of all parameters in the model. The thermodynamic software THERMOCALC is applied to determine the local chemical free energy and strain energy, which is added to the free energy density of grains before recrystallization. The Arrhenius formula is used to describe boundary mobility and the activity energy is suggested with a value of zinc segregation energy at the boundary. However, the mobility constant in the formula was found out by fitting to a group of grain size measurements during recrystallization of the alloy. The boundary range is suggested to decide the gradient parameters in addition of fitting to the experimental boundary energy value. These parameter values can be regarded as a database for other similar simulations and the fitting rules can also be applied to build up databases for any other alloy systems. The simulated results show a good agreement with reported experimental measurement of the alloy at the temperatures from 300 to 400℃ for up to 100 min but not at 250℃. This implies a mechanism variation in activity energy of the boundary mobility in the alloy at low temperature.

Phase field simulation of the columnar dendritic growth and microsegregation in a binary alloy

This paper applies a phase field model for polycrystalline solidification in binary alloys to simulate the formation and growth of the columnar dendritic array under the isothermal and constant cooling conditions. The solidification process and microsegregation in the mushy zone are analysed in detail. It is shown that under the isothermal condition solidification will stop after the formation of the mushy zone, but dendritic coarsening will progress continuously, which results in the decrease of the total interface area. Under the constant cooling condition the mushy zone will solidify and coarsen simultaneously. For the constant cooling solidification, microsegregation predicted by a modified Brody- Flemings model is compared with the simulation results. It is found that the Fourier number which characterizes microsegregation is different for regions with different microstructures. Dendritic coarsening and the larger area of interface should account for the enhanced Fourier number in the region with well developed second dendritic arms.

MICRO-DESCRIPTION OF THE SOLUTE-FIELD AND THE PHASE-FIELD MODEL FOR ISOTHERMAL PHASE TRANSITION IN BINARY ALLOYS

A new phase field method for two-dimensional simulations of binary alloy solidification was studied. A model basing on solute conservative in every unit was developed for solving the solute diffusion equation during solidification. Two-dimensional computations were performed for ideal solutions and Ni-Cu dendritic growth into an isothermal and highly supersaturated liquid phase.

Reversed-phase fused-core HPLC modeling of peptides

Different fused-core stationary phase chemistries（C18,Amide,Phenyl-hexyl and Peptide ES-C18） were used for the analysis of 21 structurally representative model peptides.In addition,the effects of the mobile phase composition（ACN or MeOH as organic modifier;formic acid or acetic acid,as acidifying component） on the column selectivity,peak shape and overall chromatographic performance were evaluated.The RP-amide column,combined with a formic acid-acetonitrile based gradient system,performed as best.A peptide reversed-phase retention model is proposed,consisting of 5 variables：log SumAA,log Sv,clog P,log nHDon and log nHAcc.Quantitative structure-retention relationship（QSRR） models were constructed for 16 different chromatographic systems.The accuracy of this peptide retention model was demonstrated by the comparison between predicted and experimentally obtained retention times,explaining on average 86% of the variability.Moreover,using an external set of 5 validation peptides,the predictive power of the model was also demonstrated.This peptide retention model includes the novel in-silico calculated amino acid descriptor,AA,which was calculated from log P,3D-MoRSE,RDF and WHIM descriptors.

Three-Dimensional Simulations of RESET Operation in Phase-Change Random Access Memory with Blade-Type Like Phase Change Layer by Finite Element Modeling

An optimized device structure for reducing the RESET current of phase-change random access memory （PCRAM） with blade-type like （BTL） phase change layer is proposed. The electrical thermal analysis of the BTL cell and the blade heater contactor structure by three-dimensional finite element modeling are compared with each other during RESET operation. The simulation results show that the programming region of the phase change layer in the BTL cell is much smaller, and thermal electrical distributions of the BTL cell are more concentrated on the TiN/GST interface. The results indicate that the BTL cell has the superiorities of increasing the heating efficiency, decreasing the power consumption and reducing the RESET current from 0.67mA to 0.32mA. Therefore, the BTL cell will be appropriate for high performance PCRAM device with lower power consumption and lower RESET current.

Prediction and programming of microemulsion phase behavior simulation

In the process of microemulsion flooding,microemulsion phase state may be affected by the adsorption of core and the distribution of oil and water,and the upper phase,the middle phase or the lower phase microemulsion will appear.Accurate description of microemulsion phase state and quantitative discrimination of equilibrium phase composition are of great theoretical value and research significance for the design of microemulsion flooding system and improving the recovery efficiency of microemulsion.Therefore,in this paper,microemulsion phase model is deeply studied.Aiming at the difficulty of solving the existing Hand model and the unknown parameters of the improved HLD-NAC model,we introduce the binodal curve range parameter D and the asymmetric migration degree parameter B,and establish a new phase behavior description method of the binodal curve,the two-phase plait point lines and the III-phase node line.Then the phase discrimination programming of microemulsion was carried out,and the change laws of phase number,phase type and mass fraction of equilibrium phases of any microemulsion system under different salinity were revealed.The results show that the simulation results of microemulsions accord with the salinity scanning law,and can accurately identify the complex microemulsion phase states.

Phase field modeling of the ring-banded spherulites of crystalline polymers: The role of thermal diffusion

The ring-banded spherulite is a special morphology of polymer crystals and has attracted considerable attention over recent decades. In this study, a new phase field model with polymer characteristics is established to investigate the emergence and formation mechanism of the ring-banded spherulites of crystalline polymers. The model consists of a nonconserved phase field representing the phase transition and a temperature field describing the diffusion of the released latent heat. The corresponding model parameters can be obtained from experimentally accessible material parameters.Two-dimensional calculations are carried out for the ring-banded spherulitic growth of polyethylene film under a series of crystallization temperatures. The results of these calculations demonstrate that the formation of ring-banded spherulites can be triggered by the self-generated thermal field. Moreover, some temperature-dependent characteristics of the ring-banded spherulites observed in experiments are reproduced by simulations, which may help to study the effects of crystallization temperature on the ring-banded structures.