The core-shell structure in bulk TiNb binary alloy was designed and studied by phase-field simulations,where various core-shell structures were obtained by precise control of the initial and boundary conditions of the...The core-shell structure in bulk TiNb binary alloy was designed and studied by phase-field simulations,where various core-shell structures were obtained by precise control of the initial and boundary conditions of the TiNb binary alloy system during spinodal decomposition,and then the formation mechanism of core-shell structure was revealed.In addition,the influences of initial temperature gradient,average temperature,and initial concentration distribution of the system on the core-shell structure were investigated.Results show that the initial concentration gradient is the key factor for forming the core-shell structure.Besides,larger initial temperature gradient and higher average temperature can promote the formation of core-shell structure,which can be stabilized by adjusting the initial concentration distribution of the Nb-rich region in TiNb binary alloy.As a theoretical basis,this research provides a novel and simple strategy for the preparation of TiNb-based alloys and other materials with peculiar core-shell structures and desirable mechanical and physical properties.展开更多
The modified molecular interaction volume model(M-MIVM)was used to calculate the activity values and their deviations from experimental data for Ag-Cu and Ag-Sb binary alloys.Subsequently,theoretical vapor-liquid equi...The modified molecular interaction volume model(M-MIVM)was used to calculate the activity values and their deviations from experimental data for Ag-Cu and Ag-Sb binary alloys.Subsequently,theoretical vapor-liquid equilibrium phase diagrams(T-x-y and p-x-y)were plotted via combining M-MIVM and vacuum theory.The vapor-liquid phase equilibrium(VLE)experiments were conducted on the Ag-Cu alloy at 1500-1560 K and 10-15 Pa and Ag-Sb alloys at 950-1350 K and 10 Pa.The results showed that the average relative deviation and average standard deviation of activity were lower than 5%and 0.02,respectively.A comparison of theoretical and experiment results for VLE revealed that the simulated data on the T-x-y diagram were well consistent with experimental values.Therefore,the VLE phase diagrams can serve as a guide in vacuum separation experiments and industrial production for Ag-Cu and Ag-Sb binary alloys.展开更多
High energy-density lithium–sulfur(Li–S)batteries with rapid intermediate conversion and forbidden shuttle effect require superior electrocatalysts with tunable catalytic activity.In this protocol,binary FeNi3 al...High energy-density lithium–sulfur(Li–S)batteries with rapid intermediate conversion and forbidden shuttle effect require superior electrocatalysts with tunable catalytic activity.In this protocol,binary FeNi3 alloy nanoparticles homogeneously embedded within carbon nanosheets(FeNi3/CNS)are synthesized to regulate the conversions of sulfur species.Time of flight-secondary mass ion spectroscopy reveals a significantly improved catalytic effect of binary FeNi3 alloy compared to bare Ni,which is confirmed by a larger Li2S amount generated during in situ X-ray diffraction measurement.Further anode characterization validates efficient shuttling suppression and good lithium metal protection.In Li–S batteries,electrochemical tests demonstrate a remarkable rate capability of 852 mAh g-1 at 3.0 C,and outstanding long-term cycle at 1.0 C(639 mAh g-1 after 500 cycles).Even under a wide operation temperature range(-15–60℃),Li–S batteries exhibit stable cycling with high specific capacities under high current rates.Moreover,Li–S batteries using FeNi3/CNS attain a maximum areal capacity of 5.60 mAh cm-2 under~4.0 mg cm-2 sulfur.This study highlights the advantages of adopting binary or multi-component metal alloys as electrocatalysts and points out the research directions to advanceLi–S batteries into practical applications.展开更多
The exploration of high-Tcsuperconducting hydrides at ambient pressure is significant for the field of physics and materials science.Herein,by employing hydrogen-storage alloys as the template,we incorporate quasim...The exploration of high-Tcsuperconducting hydrides at ambient pressure is significant for the field of physics and materials science.Herein,by employing hydrogen-storage alloys as the template,we incorporate quasimolecular H2units into binary Laves phase alloy Fd3m-A2X,thereby achieving robust electron–phonon coupling(EPC)at significantly reduced pressures.展开更多
This work studies the impact of the carbon diffusion on the growth kinetics of austenite and the solute segregation,by utilizing the phase-field(PF)method to simulate the solidification of a Fe-C binary alloy.It is re...This work studies the impact of the carbon diffusion on the growth kinetics of austenite and the solute segregation,by utilizing the phase-field(PF)method to simulate the solidification of a Fe-C binary alloy.It is revealed that increasing the ratio of the carbon diffusion coefficient in solid to that in liquid is advantageous in reducing the solute segregation,and a novel microsegregation model is developed based on the quantitative analysis of the results from PF simulations.The simplified one-dimensional diffusion simulation is employed to analyse the quantitative relationship between the parameters of the proposed microsegregation model and the properties of materials.The universality and reliability of the new microsegregation model are then validated by comparing with the experimental data of various alloy systems.These findings contribute to our comprehension of the fundamental theory of solidification and also provide a potential and promising approach to controlling the solidification microstructure.展开更多
In the present work, Zn-(0-1)Mg(wt%) alloys were prepared by casting and indirect extrusion at 200 and300 ℃, respectively. With Mg addition, both the size and amount of second phase Mg2Zn(11) increased, and the...In the present work, Zn-(0-1)Mg(wt%) alloys were prepared by casting and indirect extrusion at 200 and300 ℃, respectively. With Mg addition, both the size and amount of second phase Mg2Zn(11) increased, and the equiaxed grains were significantly refined. The extrusion temperature had little influence on Mg2Zn(11), but the grains were refined at low extrusion temperature. For the alloys extruded at 200 ℃, as Mg content increased, the tensile yield strength(TYS)increased from 64 MPa for pure Zn to 262 MPa for Zn-1Mg; the elongation increased from 14.3% for pure Zn to 25% for Zn-0.02Mg and then decreased to 5% for Zn-1Mg. For the alloys extruded at 300 ℃, as Mg content increased, the TYS increased from 67 MPa for pure Zn to 252 MPa for Zn-1Mg, while the elongation decreased from 11.7% to 2%. The alloy extruded at 200 ℃ exhibited higher TYS and elongation than the corresponding alloy extruded at 300 ℃. The combination of grain refinement and second phase Mg2Zn(11) contributed to the improvement in the TYS, and the grain refinement played a major role in strengthening alloy. Zn-0.02Mg and Zn-0.05Mg alloys extruded at 200 ℃ show a mixture of cleavage and ductile fracture corresponding to higher elongation, while the other alloys show cleavage fracture.展开更多
The microstructure,electrical conductivity and electromagnetic interference shielding effectiveness of Mg-X(X=Al,Sn,Y and Gd)alloys in as-cast and solution states were systematically investigated in this study.The ele...The microstructure,electrical conductivity and electromagnetic interference shielding effectiveness of Mg-X(X=Al,Sn,Y and Gd)alloys in as-cast and solution states were systematically investigated in this study.The electrical conductivity and electromagnetic shielding capacity of binary magnesium alloys decrease linearly with alloying element content.The electromagnetic shielding effectiveness of the binary magnesium alloys with the same alloying element content is as follows:Mg-Gd<Mg-Sn<Mg-Y<Mg-Al.The main reason for the differences in electromagnetic interference shielding of the binary magnesium alloys is the change in conductivity,which is mainly affected by volumetric difference of solute atoms and magnesium atoms,solute atomic valence and configuration of extranuclear electron.展开更多
Phase field method was used to simulate the effect of grains orientation angle θ11 and azimuth θ_A of non-preferentially growing dendrites on the secondary dendrites of preferentially growing dendrites. In the si...Phase field method was used to simulate the effect of grains orientation angle θ11 and azimuth θ_A of non-preferentially growing dendrites on the secondary dendrites of preferentially growing dendrites. In the simulation process, two single-factor influence experiments were designed for columnar crystal structures. The simulation results showed that, when θ11 < 45o and θ_A < 45o, as θ11 was enlarged, the growth direction of the secondary dendrites on the preferentially growing dendrites at the converging grain boundary(GB) presented an increasing inclination to that of preferentially growing dendrites; with increasing θ_A, the growth direction of the secondary dendrites on the preferentially growing dendrites at the converging GB exhibited greater deflection,and the secondary dendrites grew with branches; the secondary dendrites on the preferentially growing dendrites at diverging GBs grew along a direction vertical to the growth direction of the preferentially growing dendrites.When θ_A = 45o and θ11 = 45o, the secondary dendrites grew in a direction vertical to the growth direction of preferentially growing dendrites. The morphologies of the dendrites obtained through simulation can also be found in metallographs of practical solidification experiments. This implies that the effect of a grain's orientation angle and azimuth of non-preferentially growing dendrites on the secondary dendrites of preferentially growing dendrites does exist and frequently appears in the practical solidification process.展开更多
The formation and growth of Kirkendall voids in a binary alloy system during deformation process were investigated byphase field crystal model.The simulation results show that Kirkendall voids nucleate preferentially ...The formation and growth of Kirkendall voids in a binary alloy system during deformation process were investigated byphase field crystal model.The simulation results show that Kirkendall voids nucleate preferentially at the interface,and the averagesize of the voids increases with both the time and strain rate.There is an obvious coalescence of the voids at a large strain rate whenthe deformation is applied along the interface under both constant and cyclic strain rate conditions.For the cyclic strain rate appliedalong the interface,the growth exponent of Kirkendall voids increases with increasing the strain rate when the strain rate is largerthan1.0×10-6,while it increases initially and then decreases when the strain rate is smaller than9.0×10?7.The growth exponent ofKirkendall voids increases initially and then decreases gradually with increasing the length of cyclic period under a square-waveform constant strain rate.展开更多
Based on the entropy function, a two-dimensional phase field model of binary alloys was established. Meanwhile, an explicit difference method with uniform grid was adopted to solve the phase field and solute field con...Based on the entropy function, a two-dimensional phase field model of binary alloys was established. Meanwhile, an explicit difference method with uniform grid was adopted to solve the phase field and solute field controlled equations. And the alternating direction implicit(ADI) algorithm for solving temperature field controlled equation was also employed to avoid the restriction of time step. Some characteristics of the Ni-Cu alloy were captured in the process of non-isothermal solidification, and the comparative analysis of the isothermal and the non-isothermal solidification was investigated. The simulation results indicate that the non-isothermal model is favorable to simulate the real solidification process of binary alloys, and when the thermal diffusivity decreases, the non-isothermal phase-field model is gradually consistent with the isothermal phase-field model.展开更多
This paper simulates the dendrite growth process during non-isothermal solidification in the Al-Cu binary alloy by using the phase-field model. The heat transfer equation is solved simultaneously. The thermodynamic an...This paper simulates the dendrite growth process during non-isothermal solidification in the Al-Cu binary alloy by using the phase-field model. The heat transfer equation is solved simultaneously. The thermodynamic and kinetic parameters are directly obtained from existing database by using the Calculation of Phase Diagram (CALPHAD) method. The effects of the latent heat and undercooling on the dendrite growth, solute and temperature profile during the solidification of binary alloy are investigated. The results indicate that the dendrite growing morphologies could be simulated realistically by linking the phase-field method to CALPHAD. The secondary arms of solidification dendritic are better developed with the increase of undercooling. Correspondingly, the tip speed and the solute segregation in solid-liquid interface increase, but the tip radius decreases.展开更多
Taking Al-2%mole-Cu binary alloy as an example, the influence of grain orientation on competitive growth of dendrites under different competitive modes was investigated by using the three-dimensional(3-D) phasefield m...Taking Al-2%mole-Cu binary alloy as an example, the influence of grain orientation on competitive growth of dendrites under different competitive modes was investigated by using the three-dimensional(3-D) phasefield method. The result of phase-field simulation was verified by applying cold spray and directional remelting. In the simulation process, two competitive modes were designed: in Scheme 1, the monolayer columnar grains in multilayer columnar crystals had different orientations; while in Scheme 2, they had the same orientation. The simulation result showed that in Scheme 1, the growth of the dendrites, whose orientation had a certain included angle with the direction of temperature gradient, was restrained by the growth of other dendrites whose direction was parallel to the direction of temperature gradient. Moreover, the larger the included angle between the grain orientation and temperature gradient, the earlier the cessation of dendrite growth. The secondary dendrites of dendrites whose grain orientation was parallel to the temperature gradient flourished with increasing included angles between the grain orientation and temperature gradient. In Scheme 2, the greater the included angle between grain orientation and temperature gradient, the easier the dendrites whose orientation showed a certain included angle with temperature gradient inserted between those grew parallel to the temperature gradient, and the better the growth condition thereafter. Some growing dendrites after intercalation were deflected to the temperature gradient, and the greater the included angle, the lower the deflection. The morphologies of the competitive growth dendrites obtained through simulation can also be found in metallographs of practical solidification experiments. This implies that the two modes of competitive growth of dendrites characterized in the simulation do exist and frequently appear in practical solidification processes.展开更多
Ti43Al and Ti47Al alloys with different contents of zirconium were prepared by non-consumable vacuum arc melting furnace.The microstructure and mechanical properties were investigated.The results showed that Zr had no...Ti43Al and Ti47Al alloys with different contents of zirconium were prepared by non-consumable vacuum arc melting furnace.The microstructure and mechanical properties were investigated.The results showed that Zr had no obvious effect on microstructure morphology of Ti43Al,while that of Ti47Al was modified from dendrites into equiaxed grains.The addition of Zr could refine the grains.Zr promoted the formation ofγphase significantly and the solubility values of Zr inγphase were 12.0%and 5.0%(molar fraction)in Ti43Al and Ti47Al,respectively.Zr-richγphase mainly formed throughβ→γin Ti43Al-xZr(molar fraction,%)andβ→α→γin Ti47Al-xZr(molar fraction,%).Fine-grain strengthening and solution strengthening were beneficial to improving the compressive strength while severe micro-segregation was detrimental to compressive properties.Large solubility of Zr was bad for ductility of alloys as well.The maximum compressive strengths of Ti43Al-xZr and Ti47Al-xZr were 1684.82 MPa(x=5.0%)and 2158.03 MPa(x=0.5%),respectively.The compressive strain fluctuated slightly in Ti43Al-xZr and reached the maximum value of 35.24%(x=0.5%)in Ti47Al-xZr.Both alloys showed brittle fracture.展开更多
The normal vector of migration direction in the solid-liquid interface of dendrites was used to describe the phase-field governing equation. By using the three angles formed by the normal vector for the migration dire...The normal vector of migration direction in the solid-liquid interface of dendrites was used to describe the phase-field governing equation. By using the three angles formed by the normal vector for the migration direction of the dendritic growth interface and the coordinate axes of the simulation region, the authors expressed the interfacial anisotropy equation, and built a phase-field model for the competitive growth of multiple grains. Taking a Al-2%mole-Cu binary alloy as an example, the competitive growth of multiple grains during isothermal solidification was simulated by applying parallel computing techniques. In addition, the phase field simulation results were verified by the experimental method. The simulation results show that the competitive growth of equiaxed dendrite is divided into two types: the first occurs during the process of competitive growth, the tips of primary dendrite on different grains taking part in the competition stop growing in their optimal growth direction; the second also occurs during competitive growth, the tips of primary dendrite which participate in the competition on different grains never stop growing in their optimal growth direction. The dendritic morphologies of the first competition growth type are divided into two types. Primary dendrites of grains taking part in the competition stop growing in their optimal growth direction and the competition plane enlarges when neither one wins the competition. However, when one wins the competition, the primary dendrites of grains with superiority go through the blocking grains and continue to grow in their optimal growth direction. The primary dendrites of inferior grains stop growing in their optimal growth direction and then instead grow in those areas without obstacles. The dendritic morphology of the second competition-growth type is shown to be the deformation of primary dendrites, which are mainly represented as the deflection and bending observed from different views. Compared with the metallographic picture, the simulation results can show the morphology of the competitive growth in all directions, so this simulation method can better characterize the competitive growth process.展开更多
The modified sub regular solution model was used for a calculation of the activity coefficient of immiscible binary alloy systems. The parameters needed for the calculation are the interaction parameters, λ 1 and λ ...The modified sub regular solution model was used for a calculation of the activity coefficient of immiscible binary alloy systems. The parameters needed for the calculation are the interaction parameters, λ 1 and λ 2, which are represented as a linear function of temperature, T . The molar excess Gibbs free energy, G m E, can be written in the form G m E= x A x B[( λ 11 + λ 12 T )+( λ 21 + λ 22 T ) x B ] The calculation is carried out numerically for three immiscible binary alloy systems, Al Pb, Cu Tl and In V. The agreement between the calculated and experimentally determined values of activity coefficient is excellent.展开更多
Two-dimensional cellular automaton(CA)simulations of phase transformations of binary alloys during solidification were reported.The modelling incorporates local concentration and heat changes into a nucleation or grow...Two-dimensional cellular automaton(CA)simulations of phase transformations of binary alloys during solidification were reported.The modelling incorporates local concentration and heat changes into a nucleation or growth function,which is utilized by the automaton in a probabilistic fashion.These simulations may provide an efficient method of discovering how the physical processes involved in solidification processes dynamically progress and how they interact with each other during solidification.The simulated results show that the final morphology during solidification is related with the cooling conditions.The established model can be used to evaluate the phase transformation of binary alloys during solidification.展开更多
Transmission electron microscopy(TEM)and atom probe tomography(APT)techniques were used to investigate the nanoscale orderedα2(Ti3Al)precipitates in Ti–Al binary alloys.Ti–6Al and Ti–8Al binary alloys were s...Transmission electron microscopy(TEM)and atom probe tomography(APT)techniques were used to investigate the nanoscale orderedα2(Ti3Al)precipitates in Ti–Al binary alloys.Ti–6Al and Ti–8Al binary alloys were solution treated and aged to obtain Widmanstatten microstructure and promoteα2precipitates.The TEM results displayed strong short-range ordering ofα2precipitates in Ti–8Al alloy,while no evidence of the superlattice reflections ofα2in Ti–6Al alloy.The results acquired from APT showed theα2clusters and atoms distribution at the interface between the matrix andα2precipitates.The size and morphology ofα2particles in Ti–8Al alloy,respectively,obtained by TEM and APT are closely consistent.Meanwhile,the APT results displayed tiny size clusters in Ti–6Al alloy,which supposed to give evidence of the initial ordering process ofα2precipitates in the absence of correlative results from TEM.展开更多
A new method of revising activity values has been derived based on the so called correction factor function for binary alloys with a large difference between two components. The correction factor is a function of phys...A new method of revising activity values has been derived based on the so called correction factor function for binary alloys with a large difference between two components. The correction factor is a function of physical properties formed by the difference of two components. Its absolute value increases with the enhancement of the difference in the character of components. It can be either positive or negative and the rules for selecting the sign of correction factor have been analyzed. Results are in good agreement with the experimental values.展开更多
The phase diagrams of ternary systems involving two metal components and one oxidant are considered first, the limitations to their use is discussed in relation to the high temperature oxidation of binary alloys. Kine...The phase diagrams of ternary systems involving two metal components and one oxidant are considered first, the limitations to their use is discussed in relation to the high temperature oxidation of binary alloys. Kinetic diagrams, which are useful to predict the conditions for the stability of the two mutually insoluble oxides as the external scale, are then calculated on the basis of thermodynamic and kinetic data concerning both the alloys and the oxides, assuming the validity of the parabolic rate law. A combination of the two types of diagrams provides a more detail information about the oxidation behavior of binary alloys. The calculation of the diffusion paths, which relate the oxidant pressure to the composition of the system in terms of the alloy components both in the alloy and in the scale during an initial stage of the reaction in the presence of the parabolic rate law, is finally developed.展开更多
In this study, the changing trend of crystal-lattice constant and the influential factors of the stability of supersaturated solid solutions with various alloying additions in the Al–X(Zn, Mg, Cu) binary alloys wer...In this study, the changing trend of crystal-lattice constant and the influential factors of the stability of supersaturated solid solutions with various alloying additions in the Al–X(Zn, Mg, Cu) binary alloys were investigated. The samples were analyzed using X-ray diffraction(XRD),X-ray absorption fine structure(XAFS), and scanning electron microscope(SEM). It is found that the addition of Cu causes the largest change of crystal-lattice constant of the Al–xCu supersaturated solid solution binary alloy. The most dramatic change occurs in the initial stage of Cu addition.The change is stabilized thereafter. Also, at the same alloying element addition to the Al–X(X = Zn, Mg, Cu)binary alloys, the Al–xCu is the most unstable system.Influential factors of the stability include the lattice constant change and the type of alloying element. The larger the lattice constant changes, the more unstable the supersaturated solid solution is. The alloying element, easy to aggregate, often leads to the solid solution less stable.展开更多
基金National Natural Science Foundation of China(12372152)Guangdong Basic and Applied Basic Research Foundation(2023A1515011819,2024A1515012469)Shandong Provincial Natural Science Foundation(ZR2023MA058)。
摘要The core-shell structure in bulk TiNb binary alloy was designed and studied by phase-field simulations,where various core-shell structures were obtained by precise control of the initial and boundary conditions of the TiNb binary alloy system during spinodal decomposition,and then the formation mechanism of core-shell structure was revealed.In addition,the influences of initial temperature gradient,average temperature,and initial concentration distribution of the system on the core-shell structure were investigated.Results show that the initial concentration gradient is the key factor for forming the core-shell structure.Besides,larger initial temperature gradient and higher average temperature can promote the formation of core-shell structure,which can be stabilized by adjusting the initial concentration distribution of the Nb-rich region in TiNb binary alloy.As a theoretical basis,this research provides a novel and simple strategy for the preparation of TiNb-based alloys and other materials with peculiar core-shell structures and desirable mechanical and physical properties.
基金financially supported by the National Natural Science Foundation of China(No.52274352)。
摘要The modified molecular interaction volume model(M-MIVM)was used to calculate the activity values and their deviations from experimental data for Ag-Cu and Ag-Sb binary alloys.Subsequently,theoretical vapor-liquid equilibrium phase diagrams(T-x-y and p-x-y)were plotted via combining M-MIVM and vacuum theory.The vapor-liquid phase equilibrium(VLE)experiments were conducted on the Ag-Cu alloy at 1500-1560 K and 10-15 Pa and Ag-Sb alloys at 950-1350 K and 10 Pa.The results showed that the average relative deviation and average standard deviation of activity were lower than 5%and 0.02,respectively.A comparison of theoretical and experiment results for VLE revealed that the simulated data on the T-x-y diagram were well consistent with experimental values.Therefore,the VLE phase diagrams can serve as a guide in vacuum separation experiments and industrial production for Ag-Cu and Ag-Sb binary alloys.
基金supported by the National Natural Science Foundation of China(22379001)the Natural Science Research Project of Anhui Province Education Department(2022AH030046)+2 种基金the Open Fund of State Key Laboratory of Coordination Chemistry(SKLCC2502)the Jiangsu Key Laboratory of New Energy Devices&Interface Science(KFKT2025016)the Project of High-End Talent Introduction and Cultivation in Anhui Province。
摘要High energy-density lithium–sulfur(Li–S)batteries with rapid intermediate conversion and forbidden shuttle effect require superior electrocatalysts with tunable catalytic activity.In this protocol,binary FeNi3 alloy nanoparticles homogeneously embedded within carbon nanosheets(FeNi3/CNS)are synthesized to regulate the conversions of sulfur species.Time of flight-secondary mass ion spectroscopy reveals a significantly improved catalytic effect of binary FeNi3 alloy compared to bare Ni,which is confirmed by a larger Li2S amount generated during in situ X-ray diffraction measurement.Further anode characterization validates efficient shuttling suppression and good lithium metal protection.In Li–S batteries,electrochemical tests demonstrate a remarkable rate capability of 852 mAh g-1 at 3.0 C,and outstanding long-term cycle at 1.0 C(639 mAh g-1 after 500 cycles).Even under a wide operation temperature range(-15–60℃),Li–S batteries exhibit stable cycling with high specific capacities under high current rates.Moreover,Li–S batteries using FeNi3/CNS attain a maximum areal capacity of 5.60 mAh cm-2 under~4.0 mg cm-2 sulfur.This study highlights the advantages of adopting binary or multi-component metal alloys as electrocatalysts and points out the research directions to advanceLi–S batteries into practical applications.
基金supported by the Natural Science Foundation of Zhejiang Province,China(Grant No.LQ24A040001)the Natural Science Foundation of Ningbo City,China(Grant No.2024J200)+1 种基金the National Natural Science Foundation of China(Grant Nos.12122405 and 12274169)Program for Science and Technology Innovation Team in Zhejiang Province,China(Grant No.2021R01004)。
摘要The exploration of high-Tcsuperconducting hydrides at ambient pressure is significant for the field of physics and materials science.Herein,by employing hydrogen-storage alloys as the template,we incorporate quasimolecular H2units into binary Laves phase alloy Fd3m-A2X,thereby achieving robust electron–phonon coupling(EPC)at significantly reduced pressures.
基金supported by the National Science and Technology Major Project(Grant No.J2019-VI-0019-0134)the National Natural Science Foundation of China(Grant No.52203301)+1 种基金the China Postdoctoral Science Foundation(Grant No.2021TQ0335)the Liaoning Province Science and Technology Plan Joint Fund(Doctoral Research Initiation Project)(Grant No.2024-BSLH-195).
摘要This work studies the impact of the carbon diffusion on the growth kinetics of austenite and the solute segregation,by utilizing the phase-field(PF)method to simulate the solidification of a Fe-C binary alloy.It is revealed that increasing the ratio of the carbon diffusion coefficient in solid to that in liquid is advantageous in reducing the solute segregation,and a novel microsegregation model is developed based on the quantitative analysis of the results from PF simulations.The simplified one-dimensional diffusion simulation is employed to analyse the quantitative relationship between the parameters of the proposed microsegregation model and the properties of materials.The universality and reliability of the new microsegregation model are then validated by comparing with the experimental data of various alloy systems.These findings contribute to our comprehension of the fundamental theory of solidification and also provide a potential and promising approach to controlling the solidification microstructure.
基金supported by the National Natural Science Foundation of China (Nos.51525101 and 51371046)the Program for New Century Excellent Talents in University (No.NECT-12-0109)the Fundamental Research Funds for the Central Universities (Nos.N130510002,N141008001)
摘要In the present work, Zn-(0-1)Mg(wt%) alloys were prepared by casting and indirect extrusion at 200 and300 ℃, respectively. With Mg addition, both the size and amount of second phase Mg2Zn(11) increased, and the equiaxed grains were significantly refined. The extrusion temperature had little influence on Mg2Zn(11), but the grains were refined at low extrusion temperature. For the alloys extruded at 200 ℃, as Mg content increased, the tensile yield strength(TYS)increased from 64 MPa for pure Zn to 262 MPa for Zn-1Mg; the elongation increased from 14.3% for pure Zn to 25% for Zn-0.02Mg and then decreased to 5% for Zn-1Mg. For the alloys extruded at 300 ℃, as Mg content increased, the TYS increased from 67 MPa for pure Zn to 252 MPa for Zn-1Mg, while the elongation decreased from 11.7% to 2%. The alloy extruded at 200 ℃ exhibited higher TYS and elongation than the corresponding alloy extruded at 300 ℃. The combination of grain refinement and second phase Mg2Zn(11) contributed to the improvement in the TYS, and the grain refinement played a major role in strengthening alloy. Zn-0.02Mg and Zn-0.05Mg alloys extruded at 200 ℃ show a mixture of cleavage and ductile fracture corresponding to higher elongation, while the other alloys show cleavage fracture.
基金financial supports from the National Key R&D Program of China (No. 2016YFB0301100)the National Natural Science Foundation of China (No. 51571043)Fundamental Research Funds for the Central Universities (Nos. 2018CDJDCL0019, cqu2018CDHB1A08 and 2018CDGFCL0005)
摘要The microstructure,electrical conductivity and electromagnetic interference shielding effectiveness of Mg-X(X=Al,Sn,Y and Gd)alloys in as-cast and solution states were systematically investigated in this study.The electrical conductivity and electromagnetic shielding capacity of binary magnesium alloys decrease linearly with alloying element content.The electromagnetic shielding effectiveness of the binary magnesium alloys with the same alloying element content is as follows:Mg-Gd<Mg-Sn<Mg-Y<Mg-Al.The main reason for the differences in electromagnetic interference shielding of the binary magnesium alloys is the change in conductivity,which is mainly affected by volumetric difference of solute atoms and magnesium atoms,solute atomic valence and configuration of extranuclear electron.
基金supported by the National Natural Science Foundation of China(Grant Nos.:11504149,11364024,and 51661020)
摘要Phase field method was used to simulate the effect of grains orientation angle θ11 and azimuth θ_A of non-preferentially growing dendrites on the secondary dendrites of preferentially growing dendrites. In the simulation process, two single-factor influence experiments were designed for columnar crystal structures. The simulation results showed that, when θ11 < 45o and θ_A < 45o, as θ11 was enlarged, the growth direction of the secondary dendrites on the preferentially growing dendrites at the converging grain boundary(GB) presented an increasing inclination to that of preferentially growing dendrites; with increasing θ_A, the growth direction of the secondary dendrites on the preferentially growing dendrites at the converging GB exhibited greater deflection,and the secondary dendrites grew with branches; the secondary dendrites on the preferentially growing dendrites at diverging GBs grew along a direction vertical to the growth direction of the preferentially growing dendrites.When θ_A = 45o and θ11 = 45o, the secondary dendrites grew in a direction vertical to the growth direction of preferentially growing dendrites. The morphologies of the dendrites obtained through simulation can also be found in metallographs of practical solidification experiments. This implies that the effect of a grain's orientation angle and azimuth of non-preferentially growing dendrites on the secondary dendrites of preferentially growing dendrites does exist and frequently appears in the practical solidification process.
基金Projects(51275178,51405162,51205135) supported by the National Natural Science Foundation of ChinaProjects(20110172110003,20130172120055) supported by the Doctoral Program of Higher Education of China
摘要The formation and growth of Kirkendall voids in a binary alloy system during deformation process were investigated byphase field crystal model.The simulation results show that Kirkendall voids nucleate preferentially at the interface,and the averagesize of the voids increases with both the time and strain rate.There is an obvious coalescence of the voids at a large strain rate whenthe deformation is applied along the interface under both constant and cyclic strain rate conditions.For the cyclic strain rate appliedalong the interface,the growth exponent of Kirkendall voids increases with increasing the strain rate when the strain rate is largerthan1.0×10-6,while it increases initially and then decreases when the strain rate is smaller than9.0×10?7.The growth exponent ofKirkendall voids increases initially and then decreases gradually with increasing the length of cyclic period under a square-waveform constant strain rate.
基金Projects(51161011,11364024)supported by the National Natural Science Foundation of China
摘要Based on the entropy function, a two-dimensional phase field model of binary alloys was established. Meanwhile, an explicit difference method with uniform grid was adopted to solve the phase field and solute field controlled equations. And the alternating direction implicit(ADI) algorithm for solving temperature field controlled equation was also employed to avoid the restriction of time step. Some characteristics of the Ni-Cu alloy were captured in the process of non-isothermal solidification, and the comparative analysis of the isothermal and the non-isothermal solidification was investigated. The simulation results indicate that the non-isothermal model is favorable to simulate the real solidification process of binary alloys, and when the thermal diffusivity decreases, the non-isothermal phase-field model is gradually consistent with the isothermal phase-field model.
基金Project supported by Research Center of Material Science and Engineering of Jiangxi Province,China(Grant No ZX200301017)
摘要This paper simulates the dendrite growth process during non-isothermal solidification in the Al-Cu binary alloy by using the phase-field model. The heat transfer equation is solved simultaneously. The thermodynamic and kinetic parameters are directly obtained from existing database by using the Calculation of Phase Diagram (CALPHAD) method. The effects of the latent heat and undercooling on the dendrite growth, solute and temperature profile during the solidification of binary alloy are investigated. The results indicate that the dendrite growing morphologies could be simulated realistically by linking the phase-field method to CALPHAD. The secondary arms of solidification dendritic are better developed with the increase of undercooling. Correspondingly, the tip speed and the solute segregation in solid-liquid interface increase, but the tip radius decreases.
基金funded by the National Natural Science Foundation of China(Grant Nos.:11504149,11364024,51661020)
摘要Taking Al-2%mole-Cu binary alloy as an example, the influence of grain orientation on competitive growth of dendrites under different competitive modes was investigated by using the three-dimensional(3-D) phasefield method. The result of phase-field simulation was verified by applying cold spray and directional remelting. In the simulation process, two competitive modes were designed: in Scheme 1, the monolayer columnar grains in multilayer columnar crystals had different orientations; while in Scheme 2, they had the same orientation. The simulation result showed that in Scheme 1, the growth of the dendrites, whose orientation had a certain included angle with the direction of temperature gradient, was restrained by the growth of other dendrites whose direction was parallel to the direction of temperature gradient. Moreover, the larger the included angle between the grain orientation and temperature gradient, the earlier the cessation of dendrite growth. The secondary dendrites of dendrites whose grain orientation was parallel to the temperature gradient flourished with increasing included angles between the grain orientation and temperature gradient. In Scheme 2, the greater the included angle between grain orientation and temperature gradient, the easier the dendrites whose orientation showed a certain included angle with temperature gradient inserted between those grew parallel to the temperature gradient, and the better the growth condition thereafter. Some growing dendrites after intercalation were deflected to the temperature gradient, and the greater the included angle, the lower the deflection. The morphologies of the competitive growth dendrites obtained through simulation can also be found in metallographs of practical solidification experiments. This implies that the two modes of competitive growth of dendrites characterized in the simulation do exist and frequently appear in practical solidification processes.
基金Project(51741404)supported by the National Natural Science Foundation of ChinaProject(2017YFA0403802)supported by National Key Research and Development Program of China
摘要Ti43Al and Ti47Al alloys with different contents of zirconium were prepared by non-consumable vacuum arc melting furnace.The microstructure and mechanical properties were investigated.The results showed that Zr had no obvious effect on microstructure morphology of Ti43Al,while that of Ti47Al was modified from dendrites into equiaxed grains.The addition of Zr could refine the grains.Zr promoted the formation ofγphase significantly and the solubility values of Zr inγphase were 12.0%and 5.0%(molar fraction)in Ti43Al and Ti47Al,respectively.Zr-richγphase mainly formed throughβ→γin Ti43Al-xZr(molar fraction,%)andβ→α→γin Ti47Al-xZr(molar fraction,%).Fine-grain strengthening and solution strengthening were beneficial to improving the compressive strength while severe micro-segregation was detrimental to compressive properties.Large solubility of Zr was bad for ductility of alloys as well.The maximum compressive strengths of Ti43Al-xZr and Ti47Al-xZr were 1684.82 MPa(x=5.0%)and 2158.03 MPa(x=0.5%),respectively.The compressive strain fluctuated slightly in Ti43Al-xZr and reached the maximum value of 35.24%(x=0.5%)in Ti47Al-xZr.Both alloys showed brittle fracture.
基金funded by the National Natural Science Foundation of China(Grant Numbers:11504149,11364024,51661020)
摘要The normal vector of migration direction in the solid-liquid interface of dendrites was used to describe the phase-field governing equation. By using the three angles formed by the normal vector for the migration direction of the dendritic growth interface and the coordinate axes of the simulation region, the authors expressed the interfacial anisotropy equation, and built a phase-field model for the competitive growth of multiple grains. Taking a Al-2%mole-Cu binary alloy as an example, the competitive growth of multiple grains during isothermal solidification was simulated by applying parallel computing techniques. In addition, the phase field simulation results were verified by the experimental method. The simulation results show that the competitive growth of equiaxed dendrite is divided into two types: the first occurs during the process of competitive growth, the tips of primary dendrite on different grains taking part in the competition stop growing in their optimal growth direction; the second also occurs during competitive growth, the tips of primary dendrite which participate in the competition on different grains never stop growing in their optimal growth direction. The dendritic morphologies of the first competition growth type are divided into two types. Primary dendrites of grains taking part in the competition stop growing in their optimal growth direction and the competition plane enlarges when neither one wins the competition. However, when one wins the competition, the primary dendrites of grains with superiority go through the blocking grains and continue to grow in their optimal growth direction. The primary dendrites of inferior grains stop growing in their optimal growth direction and then instead grow in those areas without obstacles. The dendritic morphology of the second competition-growth type is shown to be the deformation of primary dendrites, which are mainly represented as the deflection and bending observed from different views. Compared with the metallographic picture, the simulation results can show the morphology of the competitive growth in all directions, so this simulation method can better characterize the competitive growth process.
摘要The modified sub regular solution model was used for a calculation of the activity coefficient of immiscible binary alloy systems. The parameters needed for the calculation are the interaction parameters, λ 1 and λ 2, which are represented as a linear function of temperature, T . The molar excess Gibbs free energy, G m E, can be written in the form G m E= x A x B[( λ 11 + λ 12 T )+( λ 21 + λ 22 T ) x B ] The calculation is carried out numerically for three immiscible binary alloy systems, Al Pb, Cu Tl and In V. The agreement between the calculated and experimentally determined values of activity coefficient is excellent.
基金Project(50572013) supported by the National Natural Science Foundation of ChinaProject(G2000067104) supported by the National Basic Research Program of China
摘要Two-dimensional cellular automaton(CA)simulations of phase transformations of binary alloys during solidification were reported.The modelling incorporates local concentration and heat changes into a nucleation or growth function,which is utilized by the automaton in a probabilistic fashion.These simulations may provide an efficient method of discovering how the physical processes involved in solidification processes dynamically progress and how they interact with each other during solidification.The simulated results show that the final morphology during solidification is related with the cooling conditions.The established model can be used to evaluate the phase transformation of binary alloys during solidification.
基金financially supported by the Strategic Priority Research Program of the Chinese Academy of Sciences(No.XDA22010101)the Natural Key Research and Development Program of China(Nos.2016YFC0304201 and 2016YFC0304206)+1 种基金the Natural Science Foundation of China(No.51871225)the Youth Innovation Promotion Association CAS and Liaoning Revitalization Talents Program(No.XLYC1907005)。
摘要Transmission electron microscopy(TEM)and atom probe tomography(APT)techniques were used to investigate the nanoscale orderedα2(Ti3Al)precipitates in Ti–Al binary alloys.Ti–6Al and Ti–8Al binary alloys were solution treated and aged to obtain Widmanstatten microstructure and promoteα2precipitates.The TEM results displayed strong short-range ordering ofα2precipitates in Ti–8Al alloy,while no evidence of the superlattice reflections ofα2in Ti–6Al alloy.The results acquired from APT showed theα2clusters and atoms distribution at the interface between the matrix andα2precipitates.The size and morphology ofα2particles in Ti–8Al alloy,respectively,obtained by TEM and APT are closely consistent.Meanwhile,the APT results displayed tiny size clusters in Ti–6Al alloy,which supposed to give evidence of the initial ordering process ofα2precipitates in the absence of correlative results from TEM.
基金Financial support of this research by the National Natural Sci-ence Foundation of China under Grants 50074013 and 59774027and Huo Ying-Dong Education Foundation is gratefully acknowl-edged. Thanks are furthermore due to Chinese-Austrian Scientific Techni
摘要A new method of revising activity values has been derived based on the so called correction factor function for binary alloys with a large difference between two components. The correction factor is a function of physical properties formed by the difference of two components. Its absolute value increases with the enhancement of the difference in the character of components. It can be either positive or negative and the rules for selecting the sign of correction factor have been analyzed. Results are in good agreement with the experimental values.
基金Financial supports by the NSFC(China)under the research projects(No.50071058 and No.59725101)by the CAS(China)-CNR(Italy)under an international collaboration agreement are gratefully acknowledged.
摘要The phase diagrams of ternary systems involving two metal components and one oxidant are considered first, the limitations to their use is discussed in relation to the high temperature oxidation of binary alloys. Kinetic diagrams, which are useful to predict the conditions for the stability of the two mutually insoluble oxides as the external scale, are then calculated on the basis of thermodynamic and kinetic data concerning both the alloys and the oxides, assuming the validity of the parabolic rate law. A combination of the two types of diagrams provides a more detail information about the oxidation behavior of binary alloys. The calculation of the diffusion paths, which relate the oxidant pressure to the composition of the system in terms of the alloy components both in the alloy and in the scale during an initial stage of the reaction in the presence of the parabolic rate law, is finally developed.
基金financially supported by the National Natural Science Foundation of China (No. 51274046)
摘要In this study, the changing trend of crystal-lattice constant and the influential factors of the stability of supersaturated solid solutions with various alloying additions in the Al–X(Zn, Mg, Cu) binary alloys were investigated. The samples were analyzed using X-ray diffraction(XRD),X-ray absorption fine structure(XAFS), and scanning electron microscope(SEM). It is found that the addition of Cu causes the largest change of crystal-lattice constant of the Al–xCu supersaturated solid solution binary alloy. The most dramatic change occurs in the initial stage of Cu addition.The change is stabilized thereafter. Also, at the same alloying element addition to the Al–X(X = Zn, Mg, Cu)binary alloys, the Al–xCu is the most unstable system.Influential factors of the stability include the lattice constant change and the type of alloying element. The larger the lattice constant changes, the more unstable the supersaturated solid solution is. The alloying element, easy to aggregate, often leads to the solid solution less stable.