A computational approach based on the thermal elastic plastic finite element method was developed for predicting welding residual stress in low carbon alloyed steel welds by taking into account the effect of the solid...A computational approach based on the thermal elastic plastic finite element method was developed for predicting welding residual stress in low carbon alloyed steel welds by taking into account the effect of the solid-state phase transformations. The kinetics of phase transformations was described by Johnson Mehl Avrami Kolmogrov （JMAK） equation for bainitic transition and by Koistinen-Marburger （K-M） relationship for martensitic transition. Moreover, an additive rule depending on volumetric phase fraction was adopted to represent the material property changes during heating and cooling. Consequently, the residual welding stresses in a 2.25Cr1Mo steel TIG welded plate were computed. Early calculation results suggest that the bainitic and martensitic transformations took place in the weld the heat-affected zone drastically reduce the residual longitudinal tensile stress in the region.展开更多
Understanding the complex deformation mechanisms of non-equimolar multi-principal element alloys(MPEAs)requires high-fidelity atomic-scale simulations.This study develops a deep potential(DP)model to enable molecular ...Understanding the complex deformation mechanisms of non-equimolar multi-principal element alloys(MPEAs)requires high-fidelity atomic-scale simulations.This study develops a deep potential(DP)model to enable molecular dynamics simulations of the Ta_(0.4)Ti_(2)Zr(Ta_(0.4))alloy.Monte Carlo simulations using this potential reveal Ta atom precipitation in the Ta_(0.4)alloy.Under uniaxial tensile loading along the[100]direction in the NPT ensemble,the alloy undergoes a remarkable sequence of phase transformations:an initial body-centered cubic(BCC_(1))to face-centered cubic(FCC)transformation,followed by a reverse transformation from FCC to a distinct BCC phase(BCC_(2)),and finally a BCC_(2) to hexagonal close-packed(HCP)transformation.Critically,the reverse FCC to BCC_(2) transformation induces significant volume contraction.We demonstrate that the inversely transformed BCC_(2) phase primarily accommodates compressive stress.Concurrently,the reorientation of BCC_(2) crystals contributes substantially to the observed high strain hardening.These simulations provide atomic-scale insights into the dynamic structural evolution,sequential phase transformations,and stress partitioning during deformation of the Ta_(0.4)alloy.The developed DP model and the revealed mechanisms offer fundamental theoretical guidance for accelerating the design of high-performance MPEAs.展开更多
In the development of metal-organic frameworks(MOFs),secondary building units(SBUs)have been utilized as molecular modules for the construction of nanoporous materials with robust structures.Under solvothermal synthet...In the development of metal-organic frameworks(MOFs),secondary building units(SBUs)have been utilized as molecular modules for the construction of nanoporous materials with robust structures.Under solvothermal synthetic conditions,dynamic changes in the metal coordination environments and ligand coordination modes of SBUs determine the resultant product structures.Alternatively,MOF phases with new topologies can also be achieved by post-synthetic treatment of as-synthesized MOFs via the introduction of acidic or basic moieties that cause the simultaneous cleavage/reformation of coordination bonds in the solid state.In this sense,we studied the solid-state transformation of two ndc-based Zn-MOFs(ndc=1,4-naphthalene dicarboxylate)with different SBUs but the same pcu topology to another MOF with sev topology.One of the chosen MOFs with pcu nets is[Zn_(2)(ndc)_(2)(bpy)]_(n)(bpy=4,4,-bipyridine),(6C_(bpy)-MOF)consisting of a 6-connected pillared-paddlewheel SBU,and the other is IRMOF-7 composed of 6-connected Zn40(C 00)6 SBUs and ndc.Upon post-structural modification,these pcu MOFs were converted into the same MOF with sev topology constructed from the uncommon 7-connected Zri_(4)O(COO)_(7)SBU(7C-MOF).The appropriate post-synthetic conditions for the transformation of each SBUs were systematically examined.In addition,the effect of the pillar molecules in the pillared-paddlewheel MOFs on the topology conversion was studied in terms of the linker basicity,which determines the inertness during the solid-state phase transformation.This post-synthetic modification approach is expected to expand the available methods for designing and synthesizing MOFs with controlled topologies.展开更多
It is well known that aluminum and copper exhibit structural phase transformations in quasi-static and dynamic measurements,including shock wave loading.However,the dependence of phase transformations in a wide range ...It is well known that aluminum and copper exhibit structural phase transformations in quasi-static and dynamic measurements,including shock wave loading.However,the dependence of phase transformations in a wide range of crystallographic directions of shock loading has not been revealed.In this work,we calculated the shock Hugoniot for aluminum and copper in different crystallographic directions([100],[110],[111],[112],[102],[114],[123],[134],[221]and[401])of shock compression using molecular dynamics(MD)simulations.The results showed a high pressure(>160 GPa for Cu and>40 GPa for Al)of the FCC-to-BCC transition.In copper,different characteristics of the phase transition are observed depending on the loading direction with the[100]compression direction being the weakest.The FCC-to-BCC transition for copper is in the range of 150–220 GPa,which is consistent with the existing experimental data.Due to the high transition pressure,the BCC phase transition in copper competes with melting.In aluminum,the FCC-to-BCC transition is observed for all studied directions at pressures between 40 and 50 GPa far beyond the melting.In all considered cases we observe the coexistence of HCP and BCC phases during the FCC-to-BCC transition,which is consistent with the experimental data and atomistic calculations;this HCP phase forms in the course of accompanying plastic deformation with dislocation activity in the parent FCC phase.The plasticity incipience is also anisotropic in bothmetals,which is due to the difference in the projections of stress on the slip plane for different orientations of the FCC crystal.MD modeling results demonstrate a strong dependence of the FCC-to-BCC transition on the crystallographic direction,in which the material is loaded in the copper crystals.However,MD simulations data can only be obtained for specific points in the stereographic direction space;therefore,for more comprehensive understanding of the phase transition process,a feed-forward neural network was trained using MD modeling data.The trained machine learning model allowed us to construct continuous stereographic maps of phase transitions as a function of stress in the shock-compressed state of metal.Due to appearance and growth of multiple centers of new phase,the FCC-to-BCC transition leads to formation of a polycrystalline structure from the parent single crystal.展开更多
The phase transformation activation energy of the Cu61.13Zn33.94A14.93 alloys, which were treated at 4 GPa and 700 ℃ for 15 minutes, was calculated by means of differential scanning calorimetry curves obtained at var...The phase transformation activation energy of the Cu61.13Zn33.94A14.93 alloys, which were treated at 4 GPa and 700 ℃ for 15 minutes, was calculated by means of differential scanning calorimetry curves obtained at various heating and cooling rates. Then, the effects of high-pressure heat treatments on the solid-state phase transformation and the microstructures of Cu61.13Zn33.94A14.93 alloys were investigated. The results show that high-pressure heat treatments can refine the grains and can change the preferred orientation from （111） to （200） of α phase. Compared with the as-cast alloy, the sample with high-pressure heat treatment has finer grains, lower β＇→β and/β→β＇ transformation temperature and activation energy. Furthermore, we found that high cooling rate favours the formation of fine needle-like α phase in the range of 5-20℃/min.展开更多
Solid-state phase transformation is usually associated with excellent mechanical properties in steel materials.A deep understanding of the formation and evolution of phase structure is essential to tailor their servic...Solid-state phase transformation is usually associated with excellent mechanical properties in steel materials.A deep understanding of the formation and evolution of phase structure is essential to tailor their service performance.As a powerful tool for capturing the evolution of complex microstructures,phase-field simulation quantitatively calculates the phase structures evolution without explicit assumptions about transient microstructures.With the development of advanced numerical technology and computing ability,phase-field methods have been successfully applied to solid-state phase transformation in steels and greatly support the research and development of advanced steel materials.The phase-field simulations of solid-phase transformation in steels were summarized,and the future development was proposed.展开更多
Solid-state phase transformation plays an important role in adjusting the microstructure and thus tuning the properties of materials. A general modular, analytical model has been widely applied to describe the kinetic...Solid-state phase transformation plays an important role in adjusting the microstructure and thus tuning the properties of materials. A general modular, analytical model has been widely applied to describe the kinetics of solid-state phase transformation involving nucleation, growth and impingement; the basic conception for iso-kinetics which constitutes a physical foundation for the kinetic models or recipes can be extended by the analytical model. Applying the model, the evolution of kinetic parameters is an effective tool for describing the crystallization of enormous amorphous alloys. In order to further improve the effectiveness of this kinetic model, recently, the recipes and the model fitting procedures were extended, with more factors （e.g., anisotropic growth, soft impingement, and thermodynamic driving force） taken into consideration in the modified models. The recent development in the field of analytical model suggests that it is a general, flexible and open kinetic model for describing the solid-state phase transformation kinetics.展开更多
The solid-state phase transformation microstructure of Cu-Zn alloy under different high pressure were investigated by means of SEM and XRD. The results show that the α phase with smaller grain size, different shape a...The solid-state phase transformation microstructure of Cu-Zn alloy under different high pressure were investigated by means of SEM and XRD. The results show that the α phase with smaller grain size, different shape and random distribution appears in the Cu-Zn alloy, when the solid-state phase transformation generation in the Cu-Zn alloy under 25～750 ℃ and 3～6 GPa high pressure, and the volume fraction of transformation phase decreases with increasing pressure, under high pressure (6 GPa), the changes of microstructure of Cu-Zn alloy is not obvious. In addition, the effect of high pressure on the solid-state phase transformation microstructure of Cu-Zn alloy was discussed.展开更多
Based on the tests of a build-up welding at plate edge (BWPE) and amulti-layer build-up welding on plate (MBWP), the article studies on the solid-state phasetransformations which affect welding distortion process and ...Based on the tests of a build-up welding at plate edge (BWPE) and amulti-layer build-up welding on plate (MBWP), the article studies on the solid-state phasetransformations which affect welding distortion process and on the influence rule of transformationstarting temperature (TST) of welded metal to the welding residual distortion. The weldingdistortion can be decreased or controlled by the transformation volume expansion caused bysolid-state phase transformation of welded metal during the cooling. The test results of BWPE showthat when TST is at about 190 deg C, the bending distortion of welded specimen is the smallest, andits displacements at free end are decreased to 58 percent and 67 percent compared with those ofconventional welding electrodes A102 and E5015, which TST are less than room temperature and equalto 758 deg C respectively. The test results of MBWP show that when TST were at 100 approx 250 deg C.the welded specimen would appear reversible bending distortion compared with those of A102 andE5015. The maximum deflection value of reversible bending distortion in 8 mm thick plate is -2.94 mmat about 170 deg C of TST. The test results provide a valuable method to decrease or to controlwelding residual distortion.展开更多
Thermal cycling procedure during laser additive manufacturing (LAM) process causes the appearance of bright and dark patterns on the etched surface of TC11 alloy components. The formation mechanisms of these patterns ...Thermal cycling procedure during laser additive manufacturing (LAM) process causes the appearance of bright and dark patterns on the etched surface of TC11 alloy components. The formation mechanisms of these patterns and the solid-state transformation related to LAM process are systematically investigated with the predication of temperature fields using the finite element software ABAQUS. The results indicate that by increasing subsequent thermal cycles, the peak temperatures for every cycle decrease. When peak temperatures are above Tβ(phase transition temperature of β phase), which is 1010℃ in TC11 alloy, no pattern is observed. Meanwhile, a decrease in peak temperature leads to appearance of an ultrafine basket-weave α+β microstructure (dark contrast) with gradually increased amount of α colonies in the alloy. A special bimodal microstructure with ‘fork-like'α lamella appears in the layer when the peak temperatures of thermal cycles firstly fall into α+β dual-phase region. And this special bimodal microstructure gives a bright contrast and only appears at the region where the peak temperatures are below 970℃, leaving the rest region with a dark contrast. With the continuous increase in thermal cycles in α+β dual-phase region,α lamella gradually coarsens. After five thermal cycles in α+β two-phase region, no further changes in microstructure are observed, and the morphologies of α lamella in dark and bright regions are almost the same but with different amounts of α phase.展开更多
The hydrogen-induced microstructure evolution and phase transformations in Ti-6Al-4V alloy during heating and cooling were studied.The specimens were heated to 1273 K and subsequently cooled to room temperature.The hy...The hydrogen-induced microstructure evolution and phase transformations in Ti-6Al-4V alloy during heating and cooling were studied.The specimens were heated to 1273 K and subsequently cooled to room temperature.The hydrogen content is up to 0.8%（mass fraction）.The hydrogen-induced dynamic phase transformations and the corresponding mechanisms were analyzed.When the hydrogen content increases,the β transus temperature significantly decreases and the magnitude decreases,and the volume fraction of β phase increases.During heating,the phase transformations in hydrogenated Ti-6Al-4V alloys can be divided into three stages,and the phase transformation order is δ→α＋H2↑？δ＋α′→βH？α′→αH＋βH？αH→α＋H2↑？α→β？βH→β＋H2↑.In addition,the relationship among hydrogenation and Ms and Mf of α′ martensite were determined.展开更多
While there have been multiple recent reports in the literature focusing on the effects of magnetic field on the phase transformation behaviors,the research conducted with an ultra-high magnetic field greater than 20 ...While there have been multiple recent reports in the literature focusing on the effects of magnetic field on the phase transformation behaviors,the research conducted with an ultra-high magnetic field greater than 20 T is still preliminary.In the current study,the structure evolution of Co-B alloys are experimentally studied with undercooling.The effects of a 25 T magnetic field on the solidification behavior and the subsequent solid-state phase transformation behavior have been investigated.The 25 T magnetic field is confirmed to have little effect on the homogeneous nucleation,but have some influence on the heterogeneous nucleation of Co_(3) B and Co_(23)B6 phases by modifying the wetting angleθ.The decomposition of Co_(23)B6 phase in the subsequent cooling process can be effectively suppressed by applying the 25 T magnetic field.The present work might be helpful for not only theoretically understanding the influence of ultra-high magnetic field on the phase transformation behaviors but a potential technology of field-manipulation of magnetic materials.展开更多
Theβsolidifiedγ-TiAl alloy holds important application value in the aerospace industry,while its com-plex phase compositions and geometric structures pose challenges to its microstructure control during the thermal-...Theβsolidifiedγ-TiAl alloy holds important application value in the aerospace industry,while its com-plex phase compositions and geometric structures pose challenges to its microstructure control during the thermal-mechanical process.The microstructure evolution of Ti-43Al-4Nb-1Mo-0.2B alloy at 1200℃/0.01 s−1 was investigated to clarify the coupling role of dynamic recrystallization(DRX)and phase transformation.The results revealed that the rate of DRX inα2+γlamellar colonies was comparatively slower than that inβo+γmixed structure,instead being accompanied by intense lamellar kinking and rotation.The initiation and development rates of DRX inα2,βo,andγphases decreased sequentially.The asynchronous DRX of the various geometric structures and phase compositions resulted in the un-even deformed microstructure,and the dynamic softening induced by lamellar kinking and rotation was replaced by strengthened DRX as strain increased.Additionally,the blockyα2 phase and the terminals ofα2 lamellae were the preferential DRX sites owing to the abundant activated slip systems.Theα2→βo transformation within lamellar colonies facilitated DRX and fragment ofα2 lamellae,while theα2→γtransformation promoted the decomposition ofα2 lamellae and DRX ofγlamellae.Moreover,the var-iedβo+γmixed structures underwent complicated evolution:(1)Theγ→βo transformation occurred at boundaries of lamellar colonies,followed by simultaneous DRX ofγlamellar terminals and neighboringβo phase;(2)DRX occurred earlier within the band-likeβo phase,with the delayed DRX in enclosedγphase;(3)DRX within theβo synapses and neighboringγphase was accelerated owing to generation of elastic stress field;(4)Dispersedβo particles triggered particle stimulated nucleation(PSN)ofγphase.Eventually,atomic diffusion along crystal defects inβo andγphases caused fracture of band-likeβo phase and formation of massiveβo particles,impeding grain boundary migration and hindering DRXed grain growth ofγphase.展开更多
The phase transformations during thermomechanical processing can be employed to optimize mechanical properties of β-type Ti alloys.However,such understandings are still lacking for the alloy consisting of dual β+α&...The phase transformations during thermomechanical processing can be employed to optimize mechanical properties of β-type Ti alloys.However,such understandings are still lacking for the alloy consisting of dual β+α" phases in solution-treated and quenched state.In this paper,the phase transformations in a Ti38 Nb model alloy subjected to different thermomechanical processing were investigated by using synchrotron X-ray diffraction(SXRD) experiments,and their influence on the Young’s modulus was discussed.The results indicated that highdensity dislocations introduced by cold rolling still existed after annealing at temperatures lower than 573 K,which can decrease the martensitic transformation start temperature to below room temperature.With annealing temperatures increasing,the α"→β,β→ω_(iso),and β→α phase transformations occurred successively.At annealing temperature of 473 K,the specimen consisted of a trace of α"and ω phases as well as dominant β phase which was kept to room temperature by the high density of dislocations,rather than by the chemical stabilization.As a result,an ultralow Young’s modulus of 25.9 GPa was realized.Our investigation not only provides in-depth understandings of the phase transformations during thermomechanical processing of β-type Ti alloys,but also sheds light on designing biomedical Ti alloys with ultralow Young’s modulus.展开更多
The Ginzbury-Landau theory for bainitic transformation was devised, which contains two first-order phase transformations, one being reconstructive represented by the diffusional proeutectoidal precipitation of ferrite...The Ginzbury-Landau theory for bainitic transformation was devised, which contains two first-order phase transformations, one being reconstructive represented by the diffusional proeutectoidal precipitation of ferrite, and the other the displacive transformation. It provides a coupled mechanism for the formation of bainite. With the numerical simulation results, a diffusion-induced nucleation and a diffusion-accompanied growth of displacive transformation were suggested. This theory can be helpful to over- throw the thermodynamic difficulty of displacive transformation above the Ms temperature, and also helpful to understand the Bs temperature, the partial supersaturation, the single variation of bainitic carbides, and the incomplete-reaction phenomenon of bainitic transformation, etc..展开更多
Hydrogen-based mineral phase transformation(HMPT)technology has demonstrated its effectiveness in separating iron and enriching rare earths from Bayan Obo refractory ores.However,further research is needed to clarify ...Hydrogen-based mineral phase transformation(HMPT)technology has demonstrated its effectiveness in separating iron and enriching rare earths from Bayan Obo refractory ores.However,further research is needed to clarify the phase composition and floatability of rare earths obtained after HMPT owing to the associated phase transformations.This study explored the mineralogical characteristics and separation behavior of rare earths in HMPT-treated iron tailings.Process mineralogy studies conducted via BGRIMM process mineralogy analysis and X-ray diffraction revealed that the main valuable minerals in the tailings included rare-earth oxides(9.15wt%),monazite(5.31wt%),and fluorite(23.52wt%).The study also examined the impact of mineral liberation and gangue mineral intergrowth on flotation performance.Flotation tests achieved a rare-earth oxide(REO)grade of 74.12wt% with a recovery of 34.17% in open-circuit flotation,whereas closed-circuit flotation resulted in a REO grade of 60.27wt% with a recovery of 73%.Transmission electron microscopy and scanning electron microscopy coupled with energy-dispersive spectroscopy revealed that monazite remained stable during the HMPT process,while bastnaesite was transformed into Ce_(7)O_(12)and CeF_(3),leading to increased collector consumption.Nonetheless,the HMPT process did not significantly affect the flotation performance of rare earths.The enrichment of fluorite in the tailings highlighted its further recovery potential.The integration of HMPT with magnetic separation and flotation presents an efficient strategy for recovering rare earths,iron,and fluorite from Bayan Obo ores.展开更多
Intermetallics and phase transformations of the zirconium-based alloy, Zr-1.0Sn-0.3Nb-0.3Fe-0.1Cr, were investigated by conventional X-ray diffraction （XRD）, differential scanning calorimetry （DSC）, and dilation m...Intermetallics and phase transformations of the zirconium-based alloy, Zr-1.0Sn-0.3Nb-0.3Fe-0.1Cr, were investigated by conventional X-ray diffraction （XRD）, differential scanning calorimetry （DSC）, and dilation measurement. Three types of precipitates, namely, （ZrNb）2Fe, Zr（CrFe）2, and Zr3Fe, were detected by XRD. The cubic Ti2Ni-type （ZrNb）2Fe was found to be the main precipitate in the alloy, and it was proposed to dissolve at 861℃, whereas Zr3Fe dissolved at 780℃ and Zr（CrFe）2 at 814℃. No precipitates were observed at a temperature higher than 900℃. The transformation-start temperature of α-Zr → β-Zr was reconfirmed to be 780℃, and the end temperature of α-Zr →βZr was determined to be 955℃. The dilation result also revealed that the martensitic transformation-start temperature, Ms, and the finish temperature, Mf, of this alloy were 741℃ and 645℃, respectively.展开更多
Various solid state phase transformations exist in metastable β-type Ti alloys,which can be employed to optimize the mechanical properties.In this paper,synchrotron X-ray diffraction(SXRD)experiments were carried out...Various solid state phase transformations exist in metastable β-type Ti alloys,which can be employed to optimize the mechanical properties.In this paper,synchrotron X-ray diffraction(SXRD)experiments were carried out to study the phase transformations of a Ti36Nb5Zr alloy subjected to different thermomechanical treatments.Furthermore,the correlation between the phase constitutions and the mechanical properties was discussed.The a" texture formed,and high-density defects were introduced after cold rolling of the solution treated specimen,leading to the decrease in Young’s modulus and the increase in strength.The cold-rolled specimens were then annealed at temperatures from 423 to 773 K for 30 min.Both the Young’s modulus and strength increased with annealing temperatures increasing up to 673 K,which resulted from the precipitation of the ω and/or α phases.With further increase in annealing temperatures to 773 K,the β→α precipitation replaced the β→ω_(iso) phase transformation,and the density of defects decreased,leading to the decrease in both the Young’s modulus and strength.These results provide theoretical basis for the design biomedical Ti alloys with both low Young’s modulus and high strength.展开更多
The microstructural evolution and phase transformations of mechanically stirred non-dendritic ZA27 alloy during partial remelting were studied by using scanning electron microscopy and X-ray diffraction technique.The ...The microstructural evolution and phase transformations of mechanically stirred non-dendritic ZA27 alloy during partial remelting were studied by using scanning electron microscopy and X-ray diffraction technique.The partial remelting temperature was 460℃ and lower than the stirring temperature of 465℃.So the microstructure with globular grains needed for semi-solid forming can not be obtained and the starting primary non-dendritic grains change in turn to connect non-dendritic grains, long chain-like structures and finally to coarsen connect grains.However,the small near-equiaxed grains between the primary non-dendritic grains are evolved into small globular grains gradually,some of which are also attached to the primary non-dendritic grains during the subsequent heating.The X-ray diffraction results show that a series of phase transformations, α+η+ε→β,η+β→L,β→α′+L,α+η+ε→α′ and α′→L, occur successively during this process.The main reason why the starting primary non-dendritic grains do not separate into the needed independent globular grains is that the reactions of η+β→L and α′→L do not occur or occurr incompletely in the layers used to connect the primary non-dendritic grains.展开更多
The solid-phase transformations of metal materials under high magnetic fields are an important topic in research on the electromagnetic processing of materials.Progress in research on the diffusional phase transformat...The solid-phase transformations of metal materials under high magnetic fields are an important topic in research on the electromagnetic processing of materials.Progress in research on the diffusional phase transformations of Fe–C alloys under high magnetic fields is reviewed.The effects of high magnetic fields on the microstructural evolution in diffusional phase transformations in Fe–C alloys are discussed.The kinetics of ferrite transformations,pearlite transformations,and the precipitation of carbides under high magnetic fields are reviewed in terms of the thermodynamics of phase transformations and the diffusion behavior of carbon atoms.Finally,future trends in research on diffusional phase transformations of Fe–C alloys under high magnetic fields are discussed.展开更多
基金supported by the Open-Fund Research of State Key Laboratory of Advanced Welding and Joining, Harbin Institute of Technology, Chinathe Fundamental Research Funds for Central University (No. CDJZR12130036)
文摘A computational approach based on the thermal elastic plastic finite element method was developed for predicting welding residual stress in low carbon alloyed steel welds by taking into account the effect of the solid-state phase transformations. The kinetics of phase transformations was described by Johnson Mehl Avrami Kolmogrov （JMAK） equation for bainitic transition and by Koistinen-Marburger （K-M） relationship for martensitic transition. Moreover, an additive rule depending on volumetric phase fraction was adopted to represent the material property changes during heating and cooling. Consequently, the residual welding stresses in a 2.25Cr1Mo steel TIG welded plate were computed. Early calculation results suggest that the bainitic and martensitic transformations took place in the weld the heat-affected zone drastically reduce the residual longitudinal tensile stress in the region.
基金supported by the National University of Defense Technology Research Fund Projectthe National Natural Science Foundation of China(Grant No.12534013)the Science and Technology Innovation Program of Hunan Province(Grant Nos.2025ZYJ001 and 2021RC4026)。
文摘Understanding the complex deformation mechanisms of non-equimolar multi-principal element alloys(MPEAs)requires high-fidelity atomic-scale simulations.This study develops a deep potential(DP)model to enable molecular dynamics simulations of the Ta_(0.4)Ti_(2)Zr(Ta_(0.4))alloy.Monte Carlo simulations using this potential reveal Ta atom precipitation in the Ta_(0.4)alloy.Under uniaxial tensile loading along the[100]direction in the NPT ensemble,the alloy undergoes a remarkable sequence of phase transformations:an initial body-centered cubic(BCC_(1))to face-centered cubic(FCC)transformation,followed by a reverse transformation from FCC to a distinct BCC phase(BCC_(2)),and finally a BCC_(2) to hexagonal close-packed(HCP)transformation.Critically,the reverse FCC to BCC_(2) transformation induces significant volume contraction.We demonstrate that the inversely transformed BCC_(2) phase primarily accommodates compressive stress.Concurrently,the reorientation of BCC_(2) crystals contributes substantially to the observed high strain hardening.These simulations provide atomic-scale insights into the dynamic structural evolution,sequential phase transformations,and stress partitioning during deformation of the Ta_(0.4)alloy.The developed DP model and the revealed mechanisms offer fundamental theoretical guidance for accelerating the design of high-performance MPEAs.
基金the National Research Foundation of Korea(NRF)Grant funded by the Ministry of Science and ICT(Nos.NRF-2016R1A5A1009405,NRF-2019M3E6A1103980,NRF-2019R1A6A3A01096867).
文摘In the development of metal-organic frameworks(MOFs),secondary building units(SBUs)have been utilized as molecular modules for the construction of nanoporous materials with robust structures.Under solvothermal synthetic conditions,dynamic changes in the metal coordination environments and ligand coordination modes of SBUs determine the resultant product structures.Alternatively,MOF phases with new topologies can also be achieved by post-synthetic treatment of as-synthesized MOFs via the introduction of acidic or basic moieties that cause the simultaneous cleavage/reformation of coordination bonds in the solid state.In this sense,we studied the solid-state transformation of two ndc-based Zn-MOFs(ndc=1,4-naphthalene dicarboxylate)with different SBUs but the same pcu topology to another MOF with sev topology.One of the chosen MOFs with pcu nets is[Zn_(2)(ndc)_(2)(bpy)]_(n)(bpy=4,4,-bipyridine),(6C_(bpy)-MOF)consisting of a 6-connected pillared-paddlewheel SBU,and the other is IRMOF-7 composed of 6-connected Zn40(C 00)6 SBUs and ndc.Upon post-structural modification,these pcu MOFs were converted into the same MOF with sev topology constructed from the uncommon 7-connected Zri_(4)O(COO)_(7)SBU(7C-MOF).The appropriate post-synthetic conditions for the transformation of each SBUs were systematically examined.In addition,the effect of the pillar molecules in the pillared-paddlewheel MOFs on the topology conversion was studied in terms of the linker basicity,which determines the inertness during the solid-state phase transformation.This post-synthetic modification approach is expected to expand the available methods for designing and synthesizing MOFs with controlled topologies.
基金founded by the Ministry of Science and Higher Education of the Russian Federation,State assignments for research,registration No.1024032600084-8-1.3.2Study of the grain growth and the formation of polycrystalline structure as a result of phase transition(Section 6)was founded by the Russian Science Foundation,Project No.24-71-00078+3 种基金https://rscf.ru/en/project/24-71-00078/(accessed on 01 December 2025).Study of the orientation dependence of the phase transition of aluminum in Section 3 was founded by the Russian Science Foundation,Project No.24-19-00684https://rscf.ru/en/project/24-19-00684/(accessed on 01 December 2025).
文摘It is well known that aluminum and copper exhibit structural phase transformations in quasi-static and dynamic measurements,including shock wave loading.However,the dependence of phase transformations in a wide range of crystallographic directions of shock loading has not been revealed.In this work,we calculated the shock Hugoniot for aluminum and copper in different crystallographic directions([100],[110],[111],[112],[102],[114],[123],[134],[221]and[401])of shock compression using molecular dynamics(MD)simulations.The results showed a high pressure(>160 GPa for Cu and>40 GPa for Al)of the FCC-to-BCC transition.In copper,different characteristics of the phase transition are observed depending on the loading direction with the[100]compression direction being the weakest.The FCC-to-BCC transition for copper is in the range of 150–220 GPa,which is consistent with the existing experimental data.Due to the high transition pressure,the BCC phase transition in copper competes with melting.In aluminum,the FCC-to-BCC transition is observed for all studied directions at pressures between 40 and 50 GPa far beyond the melting.In all considered cases we observe the coexistence of HCP and BCC phases during the FCC-to-BCC transition,which is consistent with the experimental data and atomistic calculations;this HCP phase forms in the course of accompanying plastic deformation with dislocation activity in the parent FCC phase.The plasticity incipience is also anisotropic in bothmetals,which is due to the difference in the projections of stress on the slip plane for different orientations of the FCC crystal.MD modeling results demonstrate a strong dependence of the FCC-to-BCC transition on the crystallographic direction,in which the material is loaded in the copper crystals.However,MD simulations data can only be obtained for specific points in the stereographic direction space;therefore,for more comprehensive understanding of the phase transition process,a feed-forward neural network was trained using MD modeling data.The trained machine learning model allowed us to construct continuous stereographic maps of phase transitions as a function of stress in the shock-compressed state of metal.Due to appearance and growth of multiple centers of new phase,the FCC-to-BCC transition leads to formation of a polycrystalline structure from the parent single crystal.
文摘The phase transformation activation energy of the Cu61.13Zn33.94A14.93 alloys, which were treated at 4 GPa and 700 ℃ for 15 minutes, was calculated by means of differential scanning calorimetry curves obtained at various heating and cooling rates. Then, the effects of high-pressure heat treatments on the solid-state phase transformation and the microstructures of Cu61.13Zn33.94A14.93 alloys were investigated. The results show that high-pressure heat treatments can refine the grains and can change the preferred orientation from （111） to （200） of α phase. Compared with the as-cast alloy, the sample with high-pressure heat treatment has finer grains, lower β＇→β and/β→β＇ transformation temperature and activation energy. Furthermore, we found that high cooling rate favours the formation of fine needle-like α phase in the range of 5-20℃/min.
基金This work was financially supported by the National Natural Science Foundation of China(Nos.52071023,51901013,and 52122408)H.H.Wu also thanks to the financial support from the Fundamental Research Funds for the Central Universities(University of Science and Technology Beijing,Nos.FRF-TP-2021-04C1 and 06500135).
文摘Solid-state phase transformation is usually associated with excellent mechanical properties in steel materials.A deep understanding of the formation and evolution of phase structure is essential to tailor their service performance.As a powerful tool for capturing the evolution of complex microstructures,phase-field simulation quantitatively calculates the phase structures evolution without explicit assumptions about transient microstructures.With the development of advanced numerical technology and computing ability,phase-field methods have been successfully applied to solid-state phase transformation in steels and greatly support the research and development of advanced steel materials.The phase-field simulations of solid-phase transformation in steels were summarized,and the future development was proposed.
基金financial support of the National Basic Research Program of China (No. 2011CB610403)the National Natural Science Foundation of China (Nos. 51134011 and 51431008)+1 种基金the Fundamental Research Fund of Northwestern Polytechnical University (No. JC20120223)the China National Funds for Distinguished Young Scientists (No. 51125002)
文摘Solid-state phase transformation plays an important role in adjusting the microstructure and thus tuning the properties of materials. A general modular, analytical model has been widely applied to describe the kinetics of solid-state phase transformation involving nucleation, growth and impingement; the basic conception for iso-kinetics which constitutes a physical foundation for the kinetic models or recipes can be extended by the analytical model. Applying the model, the evolution of kinetic parameters is an effective tool for describing the crystallization of enormous amorphous alloys. In order to further improve the effectiveness of this kinetic model, recently, the recipes and the model fitting procedures were extended, with more factors （e.g., anisotropic growth, soft impingement, and thermodynamic driving force） taken into consideration in the modified models. The recent development in the field of analytical model suggests that it is a general, flexible and open kinetic model for describing the solid-state phase transformation kinetics.
文摘The solid-state phase transformation microstructure of Cu-Zn alloy under different high pressure were investigated by means of SEM and XRD. The results show that the α phase with smaller grain size, different shape and random distribution appears in the Cu-Zn alloy, when the solid-state phase transformation generation in the Cu-Zn alloy under 25～750 ℃ and 3～6 GPa high pressure, and the volume fraction of transformation phase decreases with increasing pressure, under high pressure (6 GPa), the changes of microstructure of Cu-Zn alloy is not obvious. In addition, the effect of high pressure on the solid-state phase transformation microstructure of Cu-Zn alloy was discussed.
基金This project is supported by National Natural Science Foundation of China (No.50175079) China Postdoctoral Science Foundation (No.2003033348).
文摘Based on the tests of a build-up welding at plate edge (BWPE) and amulti-layer build-up welding on plate (MBWP), the article studies on the solid-state phasetransformations which affect welding distortion process and on the influence rule of transformationstarting temperature (TST) of welded metal to the welding residual distortion. The weldingdistortion can be decreased or controlled by the transformation volume expansion caused bysolid-state phase transformation of welded metal during the cooling. The test results of BWPE showthat when TST is at about 190 deg C, the bending distortion of welded specimen is the smallest, andits displacements at free end are decreased to 58 percent and 67 percent compared with those ofconventional welding electrodes A102 and E5015, which TST are less than room temperature and equalto 758 deg C respectively. The test results of MBWP show that when TST were at 100 approx 250 deg C.the welded specimen would appear reversible bending distortion compared with those of A102 andE5015. The maximum deflection value of reversible bending distortion in 8 mm thick plate is -2.94 mmat about 170 deg C of TST. The test results provide a valuable method to decrease or to controlwelding residual distortion.
文摘Thermal cycling procedure during laser additive manufacturing (LAM) process causes the appearance of bright and dark patterns on the etched surface of TC11 alloy components. The formation mechanisms of these patterns and the solid-state transformation related to LAM process are systematically investigated with the predication of temperature fields using the finite element software ABAQUS. The results indicate that by increasing subsequent thermal cycles, the peak temperatures for every cycle decrease. When peak temperatures are above Tβ(phase transition temperature of β phase), which is 1010℃ in TC11 alloy, no pattern is observed. Meanwhile, a decrease in peak temperature leads to appearance of an ultrafine basket-weave α+β microstructure (dark contrast) with gradually increased amount of α colonies in the alloy. A special bimodal microstructure with ‘fork-like'α lamella appears in the layer when the peak temperatures of thermal cycles firstly fall into α+β dual-phase region. And this special bimodal microstructure gives a bright contrast and only appears at the region where the peak temperatures are below 970℃, leaving the rest region with a dark contrast. With the continuous increase in thermal cycles in α+β dual-phase region,α lamella gradually coarsens. After five thermal cycles in α+β two-phase region, no further changes in microstructure are observed, and the morphologies of α lamella in dark and bright regions are almost the same but with different amounts of α phase.
基金Project(51275132)supported by the National Natural Science Foundation of China
文摘The hydrogen-induced microstructure evolution and phase transformations in Ti-6Al-4V alloy during heating and cooling were studied.The specimens were heated to 1273 K and subsequently cooled to room temperature.The hydrogen content is up to 0.8%（mass fraction）.The hydrogen-induced dynamic phase transformations and the corresponding mechanisms were analyzed.When the hydrogen content increases,the β transus temperature significantly decreases and the magnitude decreases,and the volume fraction of β phase increases.During heating,the phase transformations in hydrogenated Ti-6Al-4V alloys can be divided into three stages,and the phase transformation order is δ→α＋H2↑？δ＋α′→βH？α′→αH＋βH？αH→α＋H2↑？α→β？βH→β＋H2↑.In addition,the relationship among hydrogenation and Ms and Mf of α′ martensite were determined.
基金supported by the National Natural Science Foundation of China(No.51690164)the fund of National Key Laboratory for Precision Hot Processing of Metals(6142909200104)+2 种基金National Training Program of Innovation and Entrepreneurship for Undergraduates(S202010699137)the Fundamental Research Funds for the Central Universitiesthe support of the LNCMI-CNRS。
文摘While there have been multiple recent reports in the literature focusing on the effects of magnetic field on the phase transformation behaviors,the research conducted with an ultra-high magnetic field greater than 20 T is still preliminary.In the current study,the structure evolution of Co-B alloys are experimentally studied with undercooling.The effects of a 25 T magnetic field on the solidification behavior and the subsequent solid-state phase transformation behavior have been investigated.The 25 T magnetic field is confirmed to have little effect on the homogeneous nucleation,but have some influence on the heterogeneous nucleation of Co_(3) B and Co_(23)B6 phases by modifying the wetting angleθ.The decomposition of Co_(23)B6 phase in the subsequent cooling process can be effectively suppressed by applying the 25 T magnetic field.The present work might be helpful for not only theoretically understanding the influence of ultra-high magnetic field on the phase transformation behaviors but a potential technology of field-manipulation of magnetic materials.
基金financially supported by the National Key Re-search and Development Program of China(No.2021YFB3702604)the National Natural Science Foundation of China(No.52174377)+1 种基金the Chongqing Natural Science Foundation Project(No.CSTB2023NSCQ-MSX0824)This work was also supported by the Shaanxi Materials Analysis&Research Center and the Analytical&Testing Center of NPU.
文摘Theβsolidifiedγ-TiAl alloy holds important application value in the aerospace industry,while its com-plex phase compositions and geometric structures pose challenges to its microstructure control during the thermal-mechanical process.The microstructure evolution of Ti-43Al-4Nb-1Mo-0.2B alloy at 1200℃/0.01 s−1 was investigated to clarify the coupling role of dynamic recrystallization(DRX)and phase transformation.The results revealed that the rate of DRX inα2+γlamellar colonies was comparatively slower than that inβo+γmixed structure,instead being accompanied by intense lamellar kinking and rotation.The initiation and development rates of DRX inα2,βo,andγphases decreased sequentially.The asynchronous DRX of the various geometric structures and phase compositions resulted in the un-even deformed microstructure,and the dynamic softening induced by lamellar kinking and rotation was replaced by strengthened DRX as strain increased.Additionally,the blockyα2 phase and the terminals ofα2 lamellae were the preferential DRX sites owing to the abundant activated slip systems.Theα2→βo transformation within lamellar colonies facilitated DRX and fragment ofα2 lamellae,while theα2→γtransformation promoted the decomposition ofα2 lamellae and DRX ofγlamellae.Moreover,the var-iedβo+γmixed structures underwent complicated evolution:(1)Theγ→βo transformation occurred at boundaries of lamellar colonies,followed by simultaneous DRX ofγlamellar terminals and neighboringβo phase;(2)DRX occurred earlier within the band-likeβo phase,with the delayed DRX in enclosedγphase;(3)DRX within theβo synapses and neighboringγphase was accelerated owing to generation of elastic stress field;(4)Dispersedβo particles triggered particle stimulated nucleation(PSN)ofγphase.Eventually,atomic diffusion along crystal defects inβo andγphases caused fracture of band-likeβo phase and formation of massiveβo particles,impeding grain boundary migration and hindering DRXed grain growth ofγphase.
基金financially supported by the Fundamental Research Funds for the Central Universities (No.2017QNA04)。
文摘The phase transformations during thermomechanical processing can be employed to optimize mechanical properties of β-type Ti alloys.However,such understandings are still lacking for the alloy consisting of dual β+α" phases in solution-treated and quenched state.In this paper,the phase transformations in a Ti38 Nb model alloy subjected to different thermomechanical processing were investigated by using synchrotron X-ray diffraction(SXRD) experiments,and their influence on the Young’s modulus was discussed.The results indicated that highdensity dislocations introduced by cold rolling still existed after annealing at temperatures lower than 573 K,which can decrease the martensitic transformation start temperature to below room temperature.With annealing temperatures increasing,the α"→β,β→ω_(iso),and β→α phase transformations occurred successively.At annealing temperature of 473 K,the specimen consisted of a trace of α"and ω phases as well as dominant β phase which was kept to room temperature by the high density of dislocations,rather than by the chemical stabilization.As a result,an ultralow Young’s modulus of 25.9 GPa was realized.Our investigation not only provides in-depth understandings of the phase transformations during thermomechanical processing of β-type Ti alloys,but also sheds light on designing biomedical Ti alloys with ultralow Young’s modulus.
文摘The Ginzbury-Landau theory for bainitic transformation was devised, which contains two first-order phase transformations, one being reconstructive represented by the diffusional proeutectoidal precipitation of ferrite, and the other the displacive transformation. It provides a coupled mechanism for the formation of bainite. With the numerical simulation results, a diffusion-induced nucleation and a diffusion-accompanied growth of displacive transformation were suggested. This theory can be helpful to over- throw the thermodynamic difficulty of displacive transformation above the Ms temperature, and also helpful to understand the Bs temperature, the partial supersaturation, the single variation of bainitic carbides, and the incomplete-reaction phenomenon of bainitic transformation, etc..
基金the financial support received from the Key Program of National Natural Science Foundation of China(No.52130406)the National Key R&D Program of China(Nos.2021YFC2901000 and 2022YFC2905800)+1 种基金the General Program of National Natural Science Foundation of China(No.52274253)Natural Science Foundation Innovation Group Project of Hubei Province,China(No.2023AFA044)。
文摘Hydrogen-based mineral phase transformation(HMPT)technology has demonstrated its effectiveness in separating iron and enriching rare earths from Bayan Obo refractory ores.However,further research is needed to clarify the phase composition and floatability of rare earths obtained after HMPT owing to the associated phase transformations.This study explored the mineralogical characteristics and separation behavior of rare earths in HMPT-treated iron tailings.Process mineralogy studies conducted via BGRIMM process mineralogy analysis and X-ray diffraction revealed that the main valuable minerals in the tailings included rare-earth oxides(9.15wt%),monazite(5.31wt%),and fluorite(23.52wt%).The study also examined the impact of mineral liberation and gangue mineral intergrowth on flotation performance.Flotation tests achieved a rare-earth oxide(REO)grade of 74.12wt% with a recovery of 34.17% in open-circuit flotation,whereas closed-circuit flotation resulted in a REO grade of 60.27wt% with a recovery of 73%.Transmission electron microscopy and scanning electron microscopy coupled with energy-dispersive spectroscopy revealed that monazite remained stable during the HMPT process,while bastnaesite was transformed into Ce_(7)O_(12)and CeF_(3),leading to increased collector consumption.Nonetheless,the HMPT process did not significantly affect the flotation performance of rare earths.The enrichment of fluorite in the tailings highlighted its further recovery potential.The integration of HMPT with magnetic separation and flotation presents an efficient strategy for recovering rare earths,iron,and fluorite from Bayan Obo ores.
基金the Foundation of Key Laboratory of National Defense Technologythe National Key Laboratory for Nuclear Fuel and Materials (No. 00JS85.9.1GX0101)the Science Foundation of Guangxi Province, China (Nos. 0448022 and 0728060)
文摘Intermetallics and phase transformations of the zirconium-based alloy, Zr-1.0Sn-0.3Nb-0.3Fe-0.1Cr, were investigated by conventional X-ray diffraction （XRD）, differential scanning calorimetry （DSC）, and dilation measurement. Three types of precipitates, namely, （ZrNb）2Fe, Zr（CrFe）2, and Zr3Fe, were detected by XRD. The cubic Ti2Ni-type （ZrNb）2Fe was found to be the main precipitate in the alloy, and it was proposed to dissolve at 861℃, whereas Zr3Fe dissolved at 780℃ and Zr（CrFe）2 at 814℃. No precipitates were observed at a temperature higher than 900℃. The transformation-start temperature of α-Zr → β-Zr was reconfirmed to be 780℃, and the end temperature of α-Zr →βZr was determined to be 955℃. The dilation result also revealed that the martensitic transformation-start temperature, Ms, and the finish temperature, Mf, of this alloy were 741℃ and 645℃, respectively.
基金This work was financially supported by the Fundamental Research Funds for the Central Universities(No.2017QNA04)Qing-Kun Meng thanks Prof.Yu-Chen Karen Chen-Wiegart at Stony Brook University and Dr.Jian-Ming Bai,Dr.Hui Zhong and Dr.Sanjit Ghose at National Synchrotron Light Source II for their assistance in the synchrotron experiments.This research used 28-ID-2(XPD)beamline of the National Synchrotron Light Source II,a U.S.Department of Energy(DOE)Office of Science User Facility operated for the DOE Office of Science by Brookhaven National Laboratory under Contract No.DE-SC0012704.
文摘Various solid state phase transformations exist in metastable β-type Ti alloys,which can be employed to optimize the mechanical properties.In this paper,synchrotron X-ray diffraction(SXRD)experiments were carried out to study the phase transformations of a Ti36Nb5Zr alloy subjected to different thermomechanical treatments.Furthermore,the correlation between the phase constitutions and the mechanical properties was discussed.The a" texture formed,and high-density defects were introduced after cold rolling of the solution treated specimen,leading to the decrease in Young’s modulus and the increase in strength.The cold-rolled specimens were then annealed at temperatures from 423 to 773 K for 30 min.Both the Young’s modulus and strength increased with annealing temperatures increasing up to 673 K,which resulted from the precipitation of the ω and/or α phases.With further increase in annealing temperatures to 773 K,the β→α precipitation replaced the β→ω_(iso) phase transformation,and the density of defects decreased,leading to the decrease in both the Young’s modulus and strength.These results provide theoretical basis for the design biomedical Ti alloys with both low Young’s modulus and high strength.
文摘The microstructural evolution and phase transformations of mechanically stirred non-dendritic ZA27 alloy during partial remelting were studied by using scanning electron microscopy and X-ray diffraction technique.The partial remelting temperature was 460℃ and lower than the stirring temperature of 465℃.So the microstructure with globular grains needed for semi-solid forming can not be obtained and the starting primary non-dendritic grains change in turn to connect non-dendritic grains, long chain-like structures and finally to coarsen connect grains.However,the small near-equiaxed grains between the primary non-dendritic grains are evolved into small globular grains gradually,some of which are also attached to the primary non-dendritic grains during the subsequent heating.The X-ray diffraction results show that a series of phase transformations, α+η+ε→β,η+β→L,β→α′+L,α+η+ε→α′ and α′→L, occur successively during this process.The main reason why the starting primary non-dendritic grains do not separate into the needed independent globular grains is that the reactions of η+β→L and α′→L do not occur or occurr incompletely in the layers used to connect the primary non-dendritic grains.
基金supported by the National Natural Science Foundation of China(Grant No.51690162)Liaoning Revitalization Talents Program(Grant No.XLYC1908002)Fundamental Research Funds for the Central Universities(Grant No.N180912004).
文摘The solid-phase transformations of metal materials under high magnetic fields are an important topic in research on the electromagnetic processing of materials.Progress in research on the diffusional phase transformations of Fe–C alloys under high magnetic fields is reviewed.The effects of high magnetic fields on the microstructural evolution in diffusional phase transformations in Fe–C alloys are discussed.The kinetics of ferrite transformations,pearlite transformations,and the precipitation of carbides under high magnetic fields are reviewed in terms of the thermodynamics of phase transformations and the diffusion behavior of carbon atoms.Finally,future trends in research on diffusional phase transformations of Fe–C alloys under high magnetic fields are discussed.
