The electrochemical corrosion mechanisms of Mg alloys were extensively studied in previous investigations of different chemical com-positions,modified surface states and various electrolyte conditions.However,recent r...The electrochemical corrosion mechanisms of Mg alloys were extensively studied in previous investigations of different chemical com-positions,modified surface states and various electrolyte conditions.However,recent research focused on the active state of Mg dissolution,leading to unresolved effects of secondary phases adjacent to a stableα-solid solution passive layer.The present study investigates the fundamental electrochemical corrosion mechanisms of three different Laves phases with varying phase morphologies and phase fractions in the passive state of Mg-Al-Ca alloys.The microstructure was characterized by(transmission-)electron microscopy and synchrotron-based transmission X-ray microscopy.The electrochemical corrosion resistance was determined with a standard three-electrode setup and advanced in-situ flow cell measurements.A new electrochemical activity sequence(C15>C36>α-Mg>C14)was obtained,as a result of a stable passive layer formation on theα-solid solution.Furthermore,nm-scale Mg-rich precipitates were identified within the Laves phases,which tend to inhibit the corrosion kinetics.展开更多
Precipitation habits plays a decisive role in strengthening materials,especially for Mg alloys the non-basal plane precipitation is necessary but very limited.Generally,the precipitates would nucleate and grow up in a...Precipitation habits plays a decisive role in strengthening materials,especially for Mg alloys the non-basal plane precipitation is necessary but very limited.Generally,the precipitates would nucleate and grow up in a specific habit plane owing to the constraint of free-energy minimization of the system.Herein,in an aged ultralight Mg-Li-Zn alloy,we confirmed that the precipitates dominated by C15 Laves structure could form in a variety of habit planes,to generate three forms of strengthening-phases,i.e.,precipitate-rod,precipitate-lath,and precipitate-plate.Among which,the precipitate-plates are on basal plane as usually but precipitate-rods/laths are on non-basal plane,and such non-basal precipitates would transform into the basal(Mg,Li)Zn_(2)Laves structure with prolonged aging.These findings are interesting to understand the precipitation behaviors of multi-domain Laves structures in hexagonal close-packed crystals,and expected to provide a guidance for designing ultralight high-strength Mg-Li based alloys via precipitation hardening on the non-basal planes.展开更多
We report systematic studies on superconducting properties of the Laves phase superconductor ZrIr_(2).It crystallizes in a C15-type(cubic MgCu_(2)-type,space group Fd3m)structure in which the Ir atoms form a kagome la...We report systematic studies on superconducting properties of the Laves phase superconductor ZrIr_(2).It crystallizes in a C15-type(cubic MgCu_(2)-type,space group Fd3m)structure in which the Ir atoms form a kagome lattice,with cell parameters a=b=c=7.3596(1)?.Resistivity and magnetic susceptibility measurements indicate that ZrIr_(2) is a type-Ⅱsuperconductor with a transition temperature of 4.0 K.The estimated lower and upper critical fields are 12.8 mT and 4.78 T,respectively.Heat capacity measurements confirm the bulk superconductivity in ZrIr_(2).ZrIr_(2) is found to possibly host strong-coupled s-wave superconductivity with the normalized specific heat change△C_(e)/γT_(c)~1.86 and the coupling strength△_(0)/k_BT_(c)~1.92.First-principles calculations suggest that ZrIr_(2) has three-dimensional Fermi surfaces with simple topologies,and the states at Fermi level mainly originate from the Ir-5d and Zr-4d orbitals.Similar to SrIr_(2) and ThIr_(2),spin–orbit coupling has dramatic influences on the band structure in ZrIr_(2).展开更多
Mechanical properties and electronic structure of MgCu2, Mg2 Ca and MgZn2 phases were investigated by means of first principles calculations from CASTEP program based on density functional theory（DFT）. The calculate...Mechanical properties and electronic structure of MgCu2, Mg2 Ca and MgZn2 phases were investigated by means of first principles calculations from CASTEP program based on density functional theory（DFT）. The calculated lattice parameters are in good agreement with the experimental and literature values. The calculated heat of formation and cohesive energies showed that MgCu2 has the strongest alloying ability and structural stability. Elastic constants of MgCu2, Mg2 Ca and MgZn2 were calculated, and the bulk moduli, shear moduli, elastic moduli and Poisson ratio were derived. The calculated results show that MgCu2, Mg2 Ca and MgZn2 are all ductile phases. Among the three phases, MgCu2 has the strongest stiffness and the plasticity of MgZn2 phase is the best. Melting points of the three phases were predicted using cohesive energy and elastic constants. Density of states（DOS）, Mulliken population, electron occupation number and charge density difference were discussed. Finally, Debye temperature was calculated and discussed.展开更多
Ti-Cr- and Ti-Mn-based alloys were prepared to be low- and high-pressure stage metals for a double-stage super-high-pressure metal hydride hydrogen compressor. Their crystallographic characteristics and hydrogen stora...Ti-Cr- and Ti-Mn-based alloys were prepared to be low- and high-pressure stage metals for a double-stage super-high-pressure metal hydride hydrogen compressor. Their crystallographic characteristics and hydrogen storage properties were investigated. The alloy pair Ti0.9Zr0.1Mn1.4- Cr0.35V0.2Fe0.05/TiCr1.55Mn0.2Fe0.2 was optimized based on the comprehensive performance of the studied alloys. The product hydrogen with a pressure of 100 MPa could be produced from 4 MPa feed gas when hot oil was used as a heat reservoir.展开更多
The activation behaviors and hydrogen storage properties of the Laves phase Ti1-xZrx(Mn0.5Cr0.5)2 (x=0, 0.1, 0.2, 0.32, 0.5) alloys were investigated by the pressure-composition-temperature (P-C-T) measurements. All t...The activation behaviors and hydrogen storage properties of the Laves phase Ti1-xZrx(Mn0.5Cr0.5)2 (x=0, 0.1, 0.2, 0.32, 0.5) alloys were investigated by the pressure-composition-temperature (P-C-T) measurements. All the studied alloys show the single C14-type Laves phase structure based on the XRD data. Except for the alloys with very low Zr content of x=0 and x=0.1, all these alloys can be fully activated. The P-C isotherms of the activated alloys show that, the introduction of Zr induces the decrease of the equilibrium pressures and the steeper plateaus. As the x increases, the maximum hydrogen absorption also increases, whereas the desorption of hydrogen decreases. These two effects result in a maximum reversible hydrogen storage capacity of H/M=3.03 for the alloy at x=0.32. Furthermore, the well-defined plateau associated with the smallest hysteresis also appears at x=0.32.展开更多
Molecular dynamics simulations are used to investigate the stabilities of C15 Laves phase structures subjected to temperature and point defects. The simulations based on different empirical potentials show that the bu...Molecular dynamics simulations are used to investigate the stabilities of C15 Laves phase structures subjected to temperature and point defects. The simulations based on different empirical potentials show that the bulk perfect C15 Laves phase appears to be stable under a critical temperature in a range from 350 K to 450 K, beyond which it becomes disordered and experiences an abrupt decrement of elastic modulus. In the presence of both vacancy and self-interstitial, the bulk C15 Laves phase becomes unstable at room temperature and prefers to transform into an imperfect body centered cubic（BCC）structure containing free vacancies or vacancy clusters. When a C15 cluster is embedded in BCC iron, the annihilation of interstitials occurs due to the presence of the vacancy, while it exhibits a phase transformation into a（1/2） 111 dislocation loop due to the presence of the self-interstitial.展开更多
The morphology,size,and distribution of Laves phases have important influences on the mechanical properties of laser-repaired Inconel 718(IN718)superalloy.Due to the deterioration of the substrate zone,the Laves phase...The morphology,size,and distribution of Laves phases have important influences on the mechanical properties of laser-repaired Inconel 718(IN718)superalloy.Due to the deterioration of the substrate zone,the Laves phase in the laser cladding zone of IN718 superalloy cannot be optimized by a hightemperature solution treatment.In this study,an in situ laser heat-treatment method was proposed to regulate the morphology and size of the Laves phase in the laser cladding zone of IN718 superalloy without impacting the substrate zone.In the in situ laser heat-treatment process,a laser was used to heat previously deposited layers with optimized manufacturing parameters.A thermocouple and an infrared camera were used to analyze thermal cycles and real-time temperature fields,respectively.Microstructures and micro-segregations were observed by optical microscopy,scanning electron microscopy,and electron probe microanalysis.It was found that the in situ laser heat treatment effectively changed the morphology and size of the Laves phase,which was transformed from a continuous striplike shape to a discrete granular shape.The effective temperature range and duration were the two main factors influencing the Laves phase during the in situ laser heat-treatment process.The effective temperature range was determined by the laser linear energy density,and the peak temperature increased with the increase of the linear energy density.In addition,the temperature amplitude could be reduced by simultaneously increasing the laser power and the scanning velocity.Finally,a flow diagram was developed based on the in situ laser heat-treatment process,and the deposition of a single-walled sample with fine and granular Laves phases was detected.展开更多
The synthesis and magnetostriction of PrxTb1-x.Fe2, PrxTb1-x Fe2BO2 and PrxTb1-x（Fe0.6Co0.4）2 alloys were investigated in this study. The addition of boron or cobalt atom in PrxTb1-xFe2 could effectively prevent the...The synthesis and magnetostriction of PrxTb1-x.Fe2, PrxTb1-x Fe2BO2 and PrxTb1-x（Fe0.6Co0.4）2 alloys were investigated in this study. The addition of boron or cobalt atom in PrxTb1-xFe2 could effectively prevent the formation of non-cubic phases, and Pr concentration limit was successfully increased from 0.2 to 0.4. X-ray step scanning for the PrxTb1-xFe2BO2 and PrxTb1-x（Fe0.6Co0.4）2 alloys showed that PrFe2 possessed a large spontaneous magnetostriction λ1111.展开更多
The pronounced brittleness of hard Laves phase intermetallics is detrimental to their tribological properties at room temperature.In this study,we utilized a heterogeneous structure to engineer an ultrastrong dual-pha...The pronounced brittleness of hard Laves phase intermetallics is detrimental to their tribological properties at room temperature.In this study,we utilized a heterogeneous structure to engineer an ultrastrong dual-phase(Laves+B2)AlCoFeNiNb high-entropy alloy that exhibits a low wear rate(3.82×10-6 mm3/(N·m))at room temperature.This wear resistance in the ball-on-disc sliding friction test with the counterpart of Al2O3 balls stems from the activated deformation ability in the ultrafine Laves lamellae under heterogeneous interface constraints.Furthermore,as tribological stress intensifies,the surface deformation mechanism transitions from dislocation slip on the basal and pyramidal planes to a unique combination of local shear and grain rotation within the Laves phase.Our study illuminates fresh perspectives for mitigating the embrittling effect of Laves phase intermetallics under tribological loading and for the development of wear-resistant materials.展开更多
The dendrites,eutectic carbides,Laves phase and microsegregation of alloying element in electroslag remelted 15Cr-22Ni-1Nb austenitic heat-resistant steel with varying cerium contents were studied.The liquidus and sol...The dendrites,eutectic carbides,Laves phase and microsegregation of alloying element in electroslag remelted 15Cr-22Ni-1Nb austenitic heat-resistant steel with varying cerium contents were studied.The liquidus and solidus temperatures of the steel were determined to reveal the effect of cerium on solidification temperature interval and local solidification time of the steel.The secondary dendrite arm spacing decreases from 57.10 to 40.18μm with increasing the cerium content from 0 to 0.0630 wt.%.The eutectic NbC and Laves phase in as-cast ingots exhibit blocky and honeycomb morphology,respectively.The area fractions and sizes of eutectic NbC and Laves phase in as-cast ingots decrease with the increase in cerium content.The atomic percentage of Laves phase-forming element(Ni,Nb,Cr,Mo and Si)decreases with the increase in cerium content of the steel.The microsegregation of Mo,Ni,Si,Cr and Nb decreases with increasing the cerium content,which is favorable to reducing both the amount and sizes of eutectic NbC and Laves phase in as-cast ingots.The solidification temperature interval and local solidification time of the steel decrease as the cerium content is increased from 0 to 0.0630 wt.%,which inhibits the growth of dendrites,eutectic NbC and Laves phase.展开更多
Hybrid density functional theory was used to investigate the structural,electronic,magnetic and elastic properties of the Laves phase binary intermetallics RFe_(2)(R=La,Ce,Pr and Nd) in C_(15) crystal structure.The ca...Hybrid density functional theory was used to investigate the structural,electronic,magnetic and elastic properties of the Laves phase binary intermetallics RFe_(2)(R=La,Ce,Pr and Nd) in C_(15) crystal structure.The calculated lattice constants of these materials are found in good agreement with the experiments.The band structures and density of states distribution confirm the metallic nature of all these intermetallics.The optimized energies in different magnetic phases and magnetic susceptibilities by postDFT treatments confirm that all the understudy compounds are ferromagnetic in nature.Elastic parameters were calculated from the cubic elastic coefficients C_(11),C_(12) and C_(44).The elastic properties reveal that these intermetallics are incompressible,ductile,elastically anisotropic and mechanically stable.Based on the metallic nature and ferromagnetic properties,it is expected that these intermetallics are suitable materials for spintronic technology.展开更多
Effect of Laves phase formation on mechanical properties in a pressurized T-junction of P91 steel pipe at849 K for 58,000 h with 25.65 MPa vapor pressure was studied. Thermodynamic calculations had been performed by u...Effect of Laves phase formation on mechanical properties in a pressurized T-junction of P91 steel pipe at849 K for 58,000 h with 25.65 MPa vapor pressure was studied. Thermodynamic calculations had been performed by using the software Thermo-Calc to study the phase at equilibrium state. Counter plot of von Mises stress in the pipe during service life was calculated by finite element analysis to study the effect of the operated stress distribution on the evolution of Laves phase. The change in the microstructure and mechanical properties in the sites with different stress was also studied. The results indicated that the formation of Laves phase in P91 steel was a thermodynamically possible process due to enrichment of Mo and depletion of C adjacent to M23C6 particles or along martensite lath and packet boundaries. The formation of Laves phase had a detrimental influence on the mechanical properties in P91 steel. The mean size of Laves phase would be significantly increased with increasing operated stress, leading to a reduction in tensile properties and impact energy. In particular, crack initiation energy and crack growth energy during impact test rapidly decreased with increasing the mean size and volume fraction of Laves phase.展开更多
The effects of Al content and Ca/Al mass ratio on the microstructure and mechanical properties of tungsten inert gas(TIG)welded Mg-2Ca-x Al-0.5Mn(x=0,1,5)alloy joints were studied in present work.Results showed that i...The effects of Al content and Ca/Al mass ratio on the microstructure and mechanical properties of tungsten inert gas(TIG)welded Mg-2Ca-x Al-0.5Mn(x=0,1,5)alloy joints were studied in present work.Results showed that increasing Al content was effective in reducing the dendrite spacing at the fusion zone(FZ)edge.The Laves phases in the FZ and the heat-affected zone(HAZ)can be changed from Mg_(2)Ca to(Mg,Al)_(2)Ca with the decrease of Ca/Al ratio,and the(Mg,Al)_(2)Ca could be further transformed to Al_(2)Ca under welding thermal cycle.Furthermore,dynamic dissolution and precipitation of Laves phases and Al_(8)Mn_(5)phases occurred in the HAZ,resulting in a gradient microstructure and hardness peak in this area.The tensile properties of the joints were significantly improved with the increase of Al content,which was mainly due to the modification of Laves phases.展开更多
9Cr3W3 CoB steels are developed to serve at the temperature range of 620-650℃,and have been recognized as the most promising martensitic heat-resistant steels for supercritical power plants.Due to the high W and Co c...9Cr3W3 CoB steels are developed to serve at the temperature range of 620-650℃,and have been recognized as the most promising martensitic heat-resistant steels for supercritical power plants.Due to the high W and Co contents,the Fe_(2)W Laves phase in such 9Cr3W3 CoB steel possesses some specialties in thermodynamics.In the present research,it was found that even when aged at 800℃in the 9Cr3W3 CoB steel,instead of dissolving,Laves phase formed after 50 h and kept on increasing in size and number density until 1000 h,indicating that the Laves phase was marching for the thermodynamic equilibrium during aging.In this thermodynamic process,the W-rich M_(3)B_(2)borides in as-received steel and M23C6 carbides were revealed to dissolve,supporting the growth of Laves phase.SEM investigation indicates that Laves phase tended to form clusters,and finally grow as a unit bulk Laves phase with an irregular shape.Besides,Laves phase nucleated next to M23C6 carbides and enwrapped them inside at 800℃.In addition,the growth processes of Laves phase and M23C6 carbides were a competitive procedure,the coarsening of M23C6 carbides was prior to the growth of Laves phase at 750℃while the growth of Laves phase was prior to the coarsening of M23C6 carbides at 800℃.展开更多
The Thermo Calc software was employed to calculate the equilibrium phase of 22Cr-27Ni-2Ti-Al austenitic valve steel, and the Laves phase in this steel was investigated after solid solution and aging by means of scanni...The Thermo Calc software was employed to calculate the equilibrium phase of 22Cr-27Ni-2Ti-Al austenitic valve steel, and the Laves phase in this steel was investigated after solid solution and aging by means of scanning electron microscopy （SEM）, transmission electron microscopy （TEM） and X- ray diffraction （XRD）. Results show that the microstructure of the experimental steel consists of γ, γ′, Laves and NbC. I.aves phases mainly precipitate on grain boundaries, with granular and fibrous morphologies. The size of the granular Laves phase is about 50-600 nm, and the fihrous Laves phase is composed of short strip Laves phases which are 300-600 nm in length and 50 150 nm in width. These two morphologies of Laves phase coarsen with increasing aging temperature, and this steel possesses the highest strength and hardness at aging temperature of 760 ℃.展开更多
As a promising candidate material for the accident tolerant fuel cladding in light water reactors,the Nb-containing FeCrAl alloy has shown outstanding out-of-pile service performance due to the Laves phase precipitati...As a promising candidate material for the accident tolerant fuel cladding in light water reactors,the Nb-containing FeCrAl alloy has shown outstanding out-of-pile service performance due to the Laves phase precipitation.In this work,the radiation response in FeCrAl alloys with gradient Nb content under heavy ion radiation has been investigated.The focus is on the effect of the Laves phase on irradiation-induced defects and hardening.We found that the phase boundary between the matrix and Laves phase can play a critical role in capturing radiation defects,as verified by in-situ heavy-ion radiation experiments and molecular dynamic simulations.Additionally,the evolution of Laves phase under radiation is analyzed.Radiation-induced amorphization and segregations observed at high radiation doses will deepen the fundamental understanding of the stability of Laves phases in the radiation environment.展开更多
The effects of applied pressure on the structural, mechanical, and electronic properties of LaAgs compound were investi- gated employing the first-principles method based on the density fimctional theory. The mechanic...The effects of applied pressure on the structural, mechanical, and electronic properties of LaAgs compound were investi- gated employing the first-principles method based on the density fimctional theory. The mechanical results demonstrated that bulk modulus, shear modulus and Young＇s modulus presented the linearly increasing dependences on the external pressure; the B/G and Poisson＇s ratio indicated that LaAg5 compound was a ductile material with central forces in interatomic under pressure from 0 to 40 GPa; the universal anisotropic index was performed to investigate the elastic anisotropic of LaAgs. Additionally, the pressure de- pendence of the density of states and Mulliken charge were also discussed. The bonding characterization in LaAg5 was composed of metallic, covalent and ionic. The metallic component was derived from free-electron transferring from Ag-s and Ag-d to Ag-p, and from La-s to La-d. The ionic component was due to the charge movement from La to Ag. The covalent was owing to Ag-p-La-d bonding hybridization and Ag-s-Ag-p in the Ag atomic chains. The covalent and ionic bonds were stronger under pressure but there was no significant change in metallic nature.展开更多
The phase stability of the Laves phase Cr2Nb in a two-phase Cr-Cr2Nb alloy produced by arc-melting was investigated using X-ray diffraction, transmission electron microscopy and selected area electron diffraction. The...The phase stability of the Laves phase Cr2Nb in a two-phase Cr-Cr2Nb alloy produced by arc-melting was investigated using X-ray diffraction, transmission electron microscopy and selected area electron diffraction. The experimental results indicated that the as-cast ingot was consisted of C15-Cr2Nb and Cr phases; the intermediate C36 and high-temperature C14 modifications of Cr2Nb, reported in literatures, were not detected in this study. These results, combined with a detailed analysis of the actual solidification conditions, revealed that the C14-Cr2Nb was a metastable rather than a stable high-temperature modification. Moreover, a kind of extremely fine lamellar structure was found to be randomly distributed in the eutectic cells, which may be formed by decomposition of the supersaturated C15-Cr2Nb via a discontinuous precipitation reaction.展开更多
The effects of Laves phase formation and growth on creep rupture behaviors of P92 steel at 883 K were studied.The microstructural evolution was characterized using scanning electron microscopy and transmission electro...The effects of Laves phase formation and growth on creep rupture behaviors of P92 steel at 883 K were studied.The microstructural evolution was characterized using scanning electron microscopy and transmission electron microscopy.Kinetic modeling was carried out using the software DICTRA.The results indicated Fe_2（W,Mo）Laves phase has formed during creep with 200 MPa applied stress at 883 Kfor 243 h.The experimental results showed a good agreement with thermodynamic calculations.The plastic deformation of laths is the main reason of creep rupture under the applied stress beyond 160 MPa,whereas,creep voids initiated by coarser Laves phase play an effective role in creep rupture under the applied stress lower than 160 MPa.Laves phase particles with the mean size of 243 nm lead to the change of creep rupture feature.Microstructures at the vicinity of fracture surface,the gage portion and the threaded ends of creep rupture specimens were also observed,indicating that creep tensile stress enhances the coarsening of Laves phase.展开更多
基金the financial support of the Deutsche Forschungsgemeinschaft(DFG)of the Collaborative Research Center(CRC)1394“Structural and Chemical Atomic Complexity-from defect phase diagrams to material properties”–project ID 409476157the Excellence Strategy of the Federal Government and the L?nder project IDG:(DE-82)EXS-SF-OPSF596。
文摘The electrochemical corrosion mechanisms of Mg alloys were extensively studied in previous investigations of different chemical com-positions,modified surface states and various electrolyte conditions.However,recent research focused on the active state of Mg dissolution,leading to unresolved effects of secondary phases adjacent to a stableα-solid solution passive layer.The present study investigates the fundamental electrochemical corrosion mechanisms of three different Laves phases with varying phase morphologies and phase fractions in the passive state of Mg-Al-Ca alloys.The microstructure was characterized by(transmission-)electron microscopy and synchrotron-based transmission X-ray microscopy.The electrochemical corrosion resistance was determined with a standard three-electrode setup and advanced in-situ flow cell measurements.A new electrochemical activity sequence(C15>C36>α-Mg>C14)was obtained,as a result of a stable passive layer formation on theα-solid solution.Furthermore,nm-scale Mg-rich precipitates were identified within the Laves phases,which tend to inhibit the corrosion kinetics.
基金the National Natural Science Foundation of China(Grant No.51525101,No.51971053,No.52101129)the Project of Promoting Talents in Liaoning Province(No.XLYC1808038)+1 种基金the Fundamental Research Funds for the Central Universities(Grant No.N2002018)the Project funded by China Postdoctoral Science Foundation(2020M670774)。
文摘Precipitation habits plays a decisive role in strengthening materials,especially for Mg alloys the non-basal plane precipitation is necessary but very limited.Generally,the precipitates would nucleate and grow up in a specific habit plane owing to the constraint of free-energy minimization of the system.Herein,in an aged ultralight Mg-Li-Zn alloy,we confirmed that the precipitates dominated by C15 Laves structure could form in a variety of habit planes,to generate three forms of strengthening-phases,i.e.,precipitate-rod,precipitate-lath,and precipitate-plate.Among which,the precipitate-plates are on basal plane as usually but precipitate-rods/laths are on non-basal plane,and such non-basal precipitates would transform into the basal(Mg,Li)Zn_(2)Laves structure with prolonged aging.These findings are interesting to understand the precipitation behaviors of multi-domain Laves structures in hexagonal close-packed crystals,and expected to provide a guidance for designing ultralight high-strength Mg-Li based alloys via precipitation hardening on the non-basal planes.
基金Project supported by the National Key Research and Development of China (Grant Nos.2018YFA0704200 and 2021YFA1401800)the National Natural Science Foundation of China (Grant Nos.12074414 and 11774402)the Strategic Priority Research Program of Chinese Academy of Sciences (Grant No.XDB25000000)。
文摘We report systematic studies on superconducting properties of the Laves phase superconductor ZrIr_(2).It crystallizes in a C15-type(cubic MgCu_(2)-type,space group Fd3m)structure in which the Ir atoms form a kagome lattice,with cell parameters a=b=c=7.3596(1)?.Resistivity and magnetic susceptibility measurements indicate that ZrIr_(2) is a type-Ⅱsuperconductor with a transition temperature of 4.0 K.The estimated lower and upper critical fields are 12.8 mT and 4.78 T,respectively.Heat capacity measurements confirm the bulk superconductivity in ZrIr_(2).ZrIr_(2) is found to possibly host strong-coupled s-wave superconductivity with the normalized specific heat change△C_(e)/γT_(c)~1.86 and the coupling strength△_(0)/k_BT_(c)~1.92.First-principles calculations suggest that ZrIr_(2) has three-dimensional Fermi surfaces with simple topologies,and the states at Fermi level mainly originate from the Ir-5d and Zr-4d orbitals.Similar to SrIr_(2) and ThIr_(2),spin–orbit coupling has dramatic influences on the band structure in ZrIr_(2).
基金Project(2013201018)supported by Scientific and Technological Project of Liaoning Province,China
文摘Mechanical properties and electronic structure of MgCu2, Mg2 Ca and MgZn2 phases were investigated by means of first principles calculations from CASTEP program based on density functional theory（DFT）. The calculated lattice parameters are in good agreement with the experimental and literature values. The calculated heat of formation and cohesive energies showed that MgCu2 has the strongest alloying ability and structural stability. Elastic constants of MgCu2, Mg2 Ca and MgZn2 were calculated, and the bulk moduli, shear moduli, elastic moduli and Poisson ratio were derived. The calculated results show that MgCu2, Mg2 Ca and MgZn2 are all ductile phases. Among the three phases, MgCu2 has the strongest stiffness and the plasticity of MgZn2 phase is the best. Melting points of the three phases were predicted using cohesive energy and elastic constants. Density of states（DOS）, Mulliken population, electron occupation number and charge density difference were discussed. Finally, Debye temperature was calculated and discussed.
文摘Ti-Cr- and Ti-Mn-based alloys were prepared to be low- and high-pressure stage metals for a double-stage super-high-pressure metal hydride hydrogen compressor. Their crystallographic characteristics and hydrogen storage properties were investigated. The alloy pair Ti0.9Zr0.1Mn1.4- Cr0.35V0.2Fe0.05/TiCr1.55Mn0.2Fe0.2 was optimized based on the comprehensive performance of the studied alloys. The product hydrogen with a pressure of 100 MPa could be produced from 4 MPa feed gas when hot oil was used as a heat reservoir.
基金This work was supported by the National Natural Science Foundation of China (No.50371086).
文摘The activation behaviors and hydrogen storage properties of the Laves phase Ti1-xZrx(Mn0.5Cr0.5)2 (x=0, 0.1, 0.2, 0.32, 0.5) alloys were investigated by the pressure-composition-temperature (P-C-T) measurements. All the studied alloys show the single C14-type Laves phase structure based on the XRD data. Except for the alloys with very low Zr content of x=0 and x=0.1, all these alloys can be fully activated. The P-C isotherms of the activated alloys show that, the introduction of Zr induces the decrease of the equilibrium pressures and the steeper plateaus. As the x increases, the maximum hydrogen absorption also increases, whereas the desorption of hydrogen decreases. These two effects result in a maximum reversible hydrogen storage capacity of H/M=3.03 for the alloy at x=0.32. Furthermore, the well-defined plateau associated with the smallest hysteresis also appears at x=0.32.
基金supported by the National Natural Science Foundation of China(Grant Nos.11675230 and 11375242)Canada’s Natural Sciences and Engineering Research Council NSERC Discovery GrantCanada Foundation for Innovation CFI
文摘Molecular dynamics simulations are used to investigate the stabilities of C15 Laves phase structures subjected to temperature and point defects. The simulations based on different empirical potentials show that the bulk perfect C15 Laves phase appears to be stable under a critical temperature in a range from 350 K to 450 K, beyond which it becomes disordered and experiences an abrupt decrement of elastic modulus. In the presence of both vacancy and self-interstitial, the bulk C15 Laves phase becomes unstable at room temperature and prefers to transform into an imperfect body centered cubic（BCC）structure containing free vacancies or vacancy clusters. When a C15 cluster is embedded in BCC iron, the annihilation of interstitials occurs due to the presence of the vacancy, while it exhibits a phase transformation into a（1/2） 111 dislocation loop due to the presence of the self-interstitial.
基金supported by Aero Engine Corporation of China Xi’an Aero-Engine Ltd.(N2018KD040252)the fund of the State Key Laboratory of Solidification Processing in Northwestern Polytechnical University(2020-TS-03)。
文摘The morphology,size,and distribution of Laves phases have important influences on the mechanical properties of laser-repaired Inconel 718(IN718)superalloy.Due to the deterioration of the substrate zone,the Laves phase in the laser cladding zone of IN718 superalloy cannot be optimized by a hightemperature solution treatment.In this study,an in situ laser heat-treatment method was proposed to regulate the morphology and size of the Laves phase in the laser cladding zone of IN718 superalloy without impacting the substrate zone.In the in situ laser heat-treatment process,a laser was used to heat previously deposited layers with optimized manufacturing parameters.A thermocouple and an infrared camera were used to analyze thermal cycles and real-time temperature fields,respectively.Microstructures and micro-segregations were observed by optical microscopy,scanning electron microscopy,and electron probe microanalysis.It was found that the in situ laser heat treatment effectively changed the morphology and size of the Laves phase,which was transformed from a continuous striplike shape to a discrete granular shape.The effective temperature range and duration were the two main factors influencing the Laves phase during the in situ laser heat-treatment process.The effective temperature range was determined by the laser linear energy density,and the peak temperature increased with the increase of the linear energy density.In addition,the temperature amplitude could be reduced by simultaneously increasing the laser power and the scanning velocity.Finally,a flow diagram was developed based on the in situ laser heat-treatment process,and the deposition of a single-walled sample with fine and granular Laves phases was detected.
基金Project supported by the Natural Science Foundation of Hebei Province (E2006000063)the Foundation of Hebei Educa-tion Department (2005216)
文摘The synthesis and magnetostriction of PrxTb1-x.Fe2, PrxTb1-x Fe2BO2 and PrxTb1-x（Fe0.6Co0.4）2 alloys were investigated in this study. The addition of boron or cobalt atom in PrxTb1-xFe2 could effectively prevent the formation of non-cubic phases, and Pr concentration limit was successfully increased from 0.2 to 0.4. X-ray step scanning for the PrxTb1-xFe2BO2 and PrxTb1-x（Fe0.6Co0.4）2 alloys showed that PrFe2 possessed a large spontaneous magnetostriction λ1111.
基金supports from the National Natural Science Foundation of China(Grant nos.52371068,51931003,52301157,and 52001165)Natural Science Foundation of Jiangsu Province,China(Grant nos.BK20200475 and BK20220965)+2 种基金Jiangsu Funding Program for Excellent Postdoctoral Talent(Grant no.2022ZB251)the Strategic Priority Research Program of the Chinese Academy of Sciences(Grant no.XDB0470101)the Fundamental Research Funds for the Central Universities(Grant nos.30921011215 and 30922010401).
文摘The pronounced brittleness of hard Laves phase intermetallics is detrimental to their tribological properties at room temperature.In this study,we utilized a heterogeneous structure to engineer an ultrastrong dual-phase(Laves+B2)AlCoFeNiNb high-entropy alloy that exhibits a low wear rate(3.82×10-6 mm3/(N·m))at room temperature.This wear resistance in the ball-on-disc sliding friction test with the counterpart of Al2O3 balls stems from the activated deformation ability in the ultrafine Laves lamellae under heterogeneous interface constraints.Furthermore,as tribological stress intensifies,the surface deformation mechanism transitions from dislocation slip on the basal and pyramidal planes to a unique combination of local shear and grain rotation within the Laves phase.Our study illuminates fresh perspectives for mitigating the embrittling effect of Laves phase intermetallics under tribological loading and for the development of wear-resistant materials.
基金The financial support by the National Natural Science Foundation of China(Grant Nos.51874026 and 52074027)is greatly acknowledgedThe authors are also grateful to the financial support from the State Key Laboratory of Advanced Metallurgy(Grant No.41621024).
文摘The dendrites,eutectic carbides,Laves phase and microsegregation of alloying element in electroslag remelted 15Cr-22Ni-1Nb austenitic heat-resistant steel with varying cerium contents were studied.The liquidus and solidus temperatures of the steel were determined to reveal the effect of cerium on solidification temperature interval and local solidification time of the steel.The secondary dendrite arm spacing decreases from 57.10 to 40.18μm with increasing the cerium content from 0 to 0.0630 wt.%.The eutectic NbC and Laves phase in as-cast ingots exhibit blocky and honeycomb morphology,respectively.The area fractions and sizes of eutectic NbC and Laves phase in as-cast ingots decrease with the increase in cerium content.The atomic percentage of Laves phase-forming element(Ni,Nb,Cr,Mo and Si)decreases with the increase in cerium content of the steel.The microsegregation of Mo,Ni,Si,Cr and Nb decreases with increasing the cerium content,which is favorable to reducing both the amount and sizes of eutectic NbC and Laves phase in as-cast ingots.The solidification temperature interval and local solidification time of the steel decrease as the cerium content is increased from 0 to 0.0630 wt.%,which inhibits the growth of dendrites,eutectic NbC and Laves phase.
文摘Hybrid density functional theory was used to investigate the structural,electronic,magnetic and elastic properties of the Laves phase binary intermetallics RFe_(2)(R=La,Ce,Pr and Nd) in C_(15) crystal structure.The calculated lattice constants of these materials are found in good agreement with the experiments.The band structures and density of states distribution confirm the metallic nature of all these intermetallics.The optimized energies in different magnetic phases and magnetic susceptibilities by postDFT treatments confirm that all the understudy compounds are ferromagnetic in nature.Elastic parameters were calculated from the cubic elastic coefficients C_(11),C_(12) and C_(44).The elastic properties reveal that these intermetallics are incompressible,ductile,elastically anisotropic and mechanically stable.Based on the metallic nature and ferromagnetic properties,it is expected that these intermetallics are suitable materials for spintronic technology.
基金financially supported by the National Natural Science Foundation of China(Nos.51201061,51475315)China Postdoctoral Science Foundation(No.2015M571804)the Natural Science Foundation of Jiangsu Province(No.SBK2015040170)
文摘Effect of Laves phase formation on mechanical properties in a pressurized T-junction of P91 steel pipe at849 K for 58,000 h with 25.65 MPa vapor pressure was studied. Thermodynamic calculations had been performed by using the software Thermo-Calc to study the phase at equilibrium state. Counter plot of von Mises stress in the pipe during service life was calculated by finite element analysis to study the effect of the operated stress distribution on the evolution of Laves phase. The change in the microstructure and mechanical properties in the sites with different stress was also studied. The results indicated that the formation of Laves phase in P91 steel was a thermodynamically possible process due to enrichment of Mo and depletion of C adjacent to M23C6 particles or along martensite lath and packet boundaries. The formation of Laves phase had a detrimental influence on the mechanical properties in P91 steel. The mean size of Laves phase would be significantly increased with increasing operated stress, leading to a reduction in tensile properties and impact energy. In particular, crack initiation energy and crack growth energy during impact test rapidly decreased with increasing the mean size and volume fraction of Laves phase.
基金financially supported by the National Natural Science Foundation of China(No.52175288)the Scientific and Technological Research Program of Chongqing Municipal Education Commission(Nos.KJQN202001527 and KJZD-K202001502)+2 种基金the Innovation Research Group of Nniversities in Chongqing(No.CXQT21030),t Chongqing Talent Project(No.CQYC201905100)the State Key Lab of Advanced Welding and Joining,Harbin Institute of Technology(No.AWJ-22M21)the Natural Science Foundation of Chongqing(No.cstc2020jcyj-msxm X0552)。
文摘The effects of Al content and Ca/Al mass ratio on the microstructure and mechanical properties of tungsten inert gas(TIG)welded Mg-2Ca-x Al-0.5Mn(x=0,1,5)alloy joints were studied in present work.Results showed that increasing Al content was effective in reducing the dendrite spacing at the fusion zone(FZ)edge.The Laves phases in the FZ and the heat-affected zone(HAZ)can be changed from Mg_(2)Ca to(Mg,Al)_(2)Ca with the decrease of Ca/Al ratio,and the(Mg,Al)_(2)Ca could be further transformed to Al_(2)Ca under welding thermal cycle.Furthermore,dynamic dissolution and precipitation of Laves phases and Al_(8)Mn_(5)phases occurred in the HAZ,resulting in a gradient microstructure and hardness peak in this area.The tensile properties of the joints were significantly improved with the increase of Al content,which was mainly due to the modification of Laves phases.
基金financially supported by the National Natural Science Foundation of China(No.51971226)the National Basic Research Program of China(No.2017YFB0305201)。
文摘9Cr3W3 CoB steels are developed to serve at the temperature range of 620-650℃,and have been recognized as the most promising martensitic heat-resistant steels for supercritical power plants.Due to the high W and Co contents,the Fe_(2)W Laves phase in such 9Cr3W3 CoB steel possesses some specialties in thermodynamics.In the present research,it was found that even when aged at 800℃in the 9Cr3W3 CoB steel,instead of dissolving,Laves phase formed after 50 h and kept on increasing in size and number density until 1000 h,indicating that the Laves phase was marching for the thermodynamic equilibrium during aging.In this thermodynamic process,the W-rich M_(3)B_(2)borides in as-received steel and M23C6 carbides were revealed to dissolve,supporting the growth of Laves phase.SEM investigation indicates that Laves phase tended to form clusters,and finally grow as a unit bulk Laves phase with an irregular shape.Besides,Laves phase nucleated next to M23C6 carbides and enwrapped them inside at 800℃.In addition,the growth processes of Laves phase and M23C6 carbides were a competitive procedure,the coarsening of M23C6 carbides was prior to the growth of Laves phase at 750℃while the growth of Laves phase was prior to the coarsening of M23C6 carbides at 800℃.
基金Item Sponsored by National High-tech Research and Development Program of China(2012AA03A501)
文摘The Thermo Calc software was employed to calculate the equilibrium phase of 22Cr-27Ni-2Ti-Al austenitic valve steel, and the Laves phase in this steel was investigated after solid solution and aging by means of scanning electron microscopy （SEM）, transmission electron microscopy （TEM） and X- ray diffraction （XRD）. Results show that the microstructure of the experimental steel consists of γ, γ′, Laves and NbC. I.aves phases mainly precipitate on grain boundaries, with granular and fibrous morphologies. The size of the granular Laves phase is about 50-600 nm, and the fihrous Laves phase is composed of short strip Laves phases which are 300-600 nm in length and 50 150 nm in width. These two morphologies of Laves phase coarsen with increasing aging temperature, and this steel possesses the highest strength and hardness at aging temperature of 760 ℃.
基金This work was financially supported by the National Natural Science Foundation of China(Grants No.U1867215,12025503,and 52122103)Hubei Provincial Natural Science Foundation(Grant No.2019CFA036).
文摘As a promising candidate material for the accident tolerant fuel cladding in light water reactors,the Nb-containing FeCrAl alloy has shown outstanding out-of-pile service performance due to the Laves phase precipitation.In this work,the radiation response in FeCrAl alloys with gradient Nb content under heavy ion radiation has been investigated.The focus is on the effect of the Laves phase on irradiation-induced defects and hardening.We found that the phase boundary between the matrix and Laves phase can play a critical role in capturing radiation defects,as verified by in-situ heavy-ion radiation experiments and molecular dynamic simulations.Additionally,the evolution of Laves phase under radiation is analyzed.Radiation-induced amorphization and segregations observed at high radiation doses will deepen the fundamental understanding of the stability of Laves phases in the radiation environment.
文摘The effects of applied pressure on the structural, mechanical, and electronic properties of LaAgs compound were investi- gated employing the first-principles method based on the density fimctional theory. The mechanical results demonstrated that bulk modulus, shear modulus and Young＇s modulus presented the linearly increasing dependences on the external pressure; the B/G and Poisson＇s ratio indicated that LaAg5 compound was a ductile material with central forces in interatomic under pressure from 0 to 40 GPa; the universal anisotropic index was performed to investigate the elastic anisotropic of LaAgs. Additionally, the pressure de- pendence of the density of states and Mulliken charge were also discussed. The bonding characterization in LaAg5 was composed of metallic, covalent and ionic. The metallic component was derived from free-electron transferring from Ag-s and Ag-d to Ag-p, and from La-s to La-d. The ionic component was due to the charge movement from La to Ag. The covalent was owing to Ag-p-La-d bonding hybridization and Ag-s-Ag-p in the Ag atomic chains. The covalent and ionic bonds were stronger under pressure but there was no significant change in metallic nature.
基金financially supported by the National Natural Science Foundation of China(Nos.50971101,51074127 and 51104120)
文摘The phase stability of the Laves phase Cr2Nb in a two-phase Cr-Cr2Nb alloy produced by arc-melting was investigated using X-ray diffraction, transmission electron microscopy and selected area electron diffraction. The experimental results indicated that the as-cast ingot was consisted of C15-Cr2Nb and Cr phases; the intermediate C36 and high-temperature C14 modifications of Cr2Nb, reported in literatures, were not detected in this study. These results, combined with a detailed analysis of the actual solidification conditions, revealed that the C14-Cr2Nb was a metastable rather than a stable high-temperature modification. Moreover, a kind of extremely fine lamellar structure was found to be randomly distributed in the eutectic cells, which may be formed by decomposition of the supersaturated C15-Cr2Nb via a discontinuous precipitation reaction.
基金Item Sponsored by National Natural Science Foundation of China(51201061,51475315)China Postdoctoral Science Foundation(2015M571804)Natural Science Foundation of Jiangsu Province of China(BK20150329)
文摘The effects of Laves phase formation and growth on creep rupture behaviors of P92 steel at 883 K were studied.The microstructural evolution was characterized using scanning electron microscopy and transmission electron microscopy.Kinetic modeling was carried out using the software DICTRA.The results indicated Fe_2（W,Mo）Laves phase has formed during creep with 200 MPa applied stress at 883 Kfor 243 h.The experimental results showed a good agreement with thermodynamic calculations.The plastic deformation of laths is the main reason of creep rupture under the applied stress beyond 160 MPa,whereas,creep voids initiated by coarser Laves phase play an effective role in creep rupture under the applied stress lower than 160 MPa.Laves phase particles with the mean size of 243 nm lead to the change of creep rupture feature.Microstructures at the vicinity of fracture surface,the gage portion and the threaded ends of creep rupture specimens were also observed,indicating that creep tensile stress enhances the coarsening of Laves phase.
