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
For the development of high-strength Mg alloys,active use of Laves phases such as C14-type Mg_(2)Yb and Mg_(2)Ca is strongly expected.However,the brittleness of the Laves phases is the biggest obstacle to it.We first ...For the development of high-strength Mg alloys,active use of Laves phases such as C14-type Mg_(2)Yb and Mg_(2)Ca is strongly expected.However,the brittleness of the Laves phases is the biggest obstacle to it.We first found that kink-band formation can be induced in directionally solidified Mg/Mg_(2)Yb and Mg/Mg_(2)Ca eutectic lamellar alloys when a stress is applied parallel to the lamellar interface,leading to a high yield stress accompanied with ductility.That is,microstructural control can induce a new deformation mode that is not activated in the constituent phases,thereby inducing ductility.It was clarified that the geometric relationship between the operative slip plane in the constituent phases and the lamellar interface,and the microstructural features that provide kink-band nucleation sites are important factors for controlling kink-band formation.The obtained results show a possibility to open the new door for the development of novel high-strength structural material using the kink bands.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
Based on XRD,SEM and EDS analyses,the phases in GH4151 alloy were identified.Differential scanning calorimetry(DSC)experiment and metallographic method were carried out to determine the incipient melting temperature(I...Based on XRD,SEM and EDS analyses,the phases in GH4151 alloy were identified.Differential scanning calorimetry(DSC)experiment and metallographic method were carried out to determine the incipient melting temperature(IMT)of the alloy.The result shows that the IMT of alloy is situated between 1150 and 1160℃.Subsequently,the dissolution process of Laves phase was carried out,and the dissolution kinetic equations were obtained at different temperatures.And then based on the verification of experiments,the model was confirmed to be credible to predict the fraction of the Laves phase dissolution.Finally,the results of diffusion coefficients indicate that the diffusion of Nb element is a critical factor for homogenization process of GH4151 alloy.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
Tailoring the alloy composition,which induces the hard secondary phase to increase hardness and strength to improve the wear features,is a feasible approach for developing wear-resistant metal materials.Here,a group o...Tailoring the alloy composition,which induces the hard secondary phase to increase hardness and strength to improve the wear features,is a feasible approach for developing wear-resistant metal materials.Here,a group of(AlCoCrFeNi)_(100–x)Sc_(x)(x=0–2.0,at%)high-entropy alloys(HEAs)are designed and the phase compositions and wear behaviors are explored.Sc-doped HEA series contain the primary body-centered cubic(BCC)and eutectic phases,in which the eutectic phase is composed of the alternately grown BCC and Laves phases.Sc addition promotes the diffusion of Ni atoms from BCC phase to form the Sc-rich Laves phase at the grain boundaries.Vickers hardness increases due to solid solution strengthening and second phase strengthening.And the second phase strengthening plays a more significant role relative to solid solution strengthening.Laves phase and the oxides caused by wear heating prevent the direct contact between friction pair and HEAs,thus inducing a decreased wear rate from 6.82×10^(−5) to 3.47×10^(−5)m^(3)·N^(−1)·m^(−1).Moreover,the wear mechanism changes from adhesive wear,abrasive wear and oxidative wear to abrasive wear and oxidative wear.展开更多
Initially defined high entropy alloys(HEAs)usually exhibit a single-phase solid-solution structure.However,two and/or more types of phases in HE As possibly induce the desired microstructure features,which contribute ...Initially defined high entropy alloys(HEAs)usually exhibit a single-phase solid-solution structure.However,two and/or more types of phases in HE As possibly induce the desired microstructure features,which contribute to improving the wear properties of HE As.Here,we prepare a series of(AlCoCrFeNi)_(100-x)Hf_(x)(x=0,2,4and 6;at%) HEAs and concern their phase compositions,micro structures and wear properties.Hf leads to the formation of(Ni,Co)_(2)Hf-type Laves phase and tailors the microstructure from a body-centered cubic(BCC) singlephase structure to a hypoeutectic structure.An increased hardness from~HV 512.3 to~HV 734.1 is due to solid-solution strengthening,grain refinement strengthening and precipitated phase strengthening.And a few oxides(Al_(2)O_(3)+Cr_(2)O_(3)) caused by the wear heating contribute to an 85.5% decrease in wear rate of the HEA system from6.71×10^(-5) to 0.97×10^(-5) m^(3)·N^(-1)·m^(-1).In addition,Hf addition changes the wear mechanism from abrasive wear,mild oxidative wear and adhesive wear to oxidative wear and adhesive wear.展开更多
Quantitative analysis was employed to establish reasonable and practical homogenization model of INCONEL718 superalloy. Metallographic method was applied to determining the incipient melting temperature. The result sh...Quantitative analysis was employed to establish reasonable and practical homogenization model of INCONEL718 superalloy. Metallographic method was applied to determining the incipient melting temperature. The result shows that the incipient melting temperature of d406 mm INCONEL718 ingot is situated between 1 170 ℃ and 1 180 ℃. In order to predict the elimination process of Laves phase in quantity, a time and temperature dependent homogenization model was proposed. Among all the elements in the as-cast microstructure, Nb and Ti are the most positive segregated elements. The diffusion coefficients of alloying elements at 1 140 ℃ were obtained by fitting the linear relationship between In δ (δ residual segregation index) and time. The calculation results of diffusion coefficients were compared with other two commercial Nb-bearing superalloys.展开更多
Various undercoolings 14-232 K of bulk K4169 superalloys were obtained by the method of molten glass fluxing combined with superheating cycling and the mechanical properties of undercooled K4169 with as-solidified sta...Various undercoolings 14-232 K of bulk K4169 superalloys were obtained by the method of molten glass fluxing combined with superheating cycling and the mechanical properties of undercooled K4169 with as-solidified state were tested. Microstructures and phases composition in undercooled bulk K4169 superalloy were identified by transmission electron microscope (TEM), scanning electron microscope (SEM) and optical microscopy (OM). The morphology of dendrites, grain size and intergranular phase all change with the increased undercooling. Meanwhile, the relationship between microstructure of undercooled K4169 superalloy and tensile properties was investigated. The experimental results show that the uniform distribution of Laves phase and the decrease of grain size and intergranular phase content are favorable for the improvement of mechanical properties. The maximum tensile strength and elongation obtained at undercooling of 232 K are 932.2 MPa and 6.5%, respectively.展开更多
The distribution of phosphorus in IN706 alloy was studied,with particular emphasis on the as-cast microstructure and homogenization treatment.It is found that phosphorus is segregated in Laves phase and markedly influ...The distribution of phosphorus in IN706 alloy was studied,with particular emphasis on the as-cast microstructure and homogenization treatment.It is found that phosphorus is segregated in Laves phase and markedly influences the as-cast microstructure of IN706 alloy.Phosphorus retards the formation of Laves phase with the eutectic form,but promotes the Laves formation with the blocky form.Phosphorus refines the dendritic structure and noticeably enlarges the interdendritic area.The reason for phosphorus influencing the as-cast microstructure is attributed to its extremely low solubility in γ matrix and great retarding effect on γ matrix solidification.In addition,phosphorus slightly decreases the melting temperature of Laves phase,and retards the dissolution of Laves phase and the element diffusion between dendrite core and interdendritic area during the homogenization treatment.And it is thought that phosphorus delays the homogenization process by inhibiting the element diffusion.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
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supported by Japan Society for the Promotion of Science (JSPS) KAKENHI for Scientific Research on Innovative Areas "MFS Materials Science" (Grant Numbers: JP18H05478 and JP18H05475)partly supported by the Light Metals Educational Foundation of Japan。
文摘For the development of high-strength Mg alloys,active use of Laves phases such as C14-type Mg_(2)Yb and Mg_(2)Ca is strongly expected.However,the brittleness of the Laves phases is the biggest obstacle to it.We first found that kink-band formation can be induced in directionally solidified Mg/Mg_(2)Yb and Mg/Mg_(2)Ca eutectic lamellar alloys when a stress is applied parallel to the lamellar interface,leading to a high yield stress accompanied with ductility.That is,microstructural control can induce a new deformation mode that is not activated in the constituent phases,thereby inducing ductility.It was clarified that the geometric relationship between the operative slip plane in the constituent phases and the lamellar interface,and the microstructural features that provide kink-band nucleation sites are important factors for controlling kink-band formation.The obtained results show a possibility to open the new door for the development of novel high-strength structural material using the kink bands.
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Project(50974016)supported by the National Natural Science Foundation of China。
文摘Based on XRD,SEM and EDS analyses,the phases in GH4151 alloy were identified.Differential scanning calorimetry(DSC)experiment and metallographic method were carried out to determine the incipient melting temperature(IMT)of the alloy.The result shows that the IMT of alloy is situated between 1150 and 1160℃.Subsequently,the dissolution process of Laves phase was carried out,and the dissolution kinetic equations were obtained at different temperatures.And then based on the verification of experiments,the model was confirmed to be credible to predict the fraction of the Laves phase dissolution.Finally,the results of diffusion coefficients indicate that the diffusion of Nb element is a critical factor for homogenization process of GH4151 alloy.
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This work was financially supported by the National Natural Science Foundation of China(No.51825401)the Postdoctoral Foundation of Heilongjiang Province(No.LBH-Z19154)+1 种基金the National Natural Science Foundation of Heilongjiang Province(No.LH2020E031)the Interdisciplinary Research Foundation of HIT.
文摘Tailoring the alloy composition,which induces the hard secondary phase to increase hardness and strength to improve the wear features,is a feasible approach for developing wear-resistant metal materials.Here,a group of(AlCoCrFeNi)_(100–x)Sc_(x)(x=0–2.0,at%)high-entropy alloys(HEAs)are designed and the phase compositions and wear behaviors are explored.Sc-doped HEA series contain the primary body-centered cubic(BCC)and eutectic phases,in which the eutectic phase is composed of the alternately grown BCC and Laves phases.Sc addition promotes the diffusion of Ni atoms from BCC phase to form the Sc-rich Laves phase at the grain boundaries.Vickers hardness increases due to solid solution strengthening and second phase strengthening.And the second phase strengthening plays a more significant role relative to solid solution strengthening.Laves phase and the oxides caused by wear heating prevent the direct contact between friction pair and HEAs,thus inducing a decreased wear rate from 6.82×10^(−5) to 3.47×10^(−5)m^(3)·N^(−1)·m^(−1).Moreover,the wear mechanism changes from adhesive wear,abrasive wear and oxidative wear to abrasive wear and oxidative wear.
基金financially supported by the National Natural Science Foundation of China (No.51825401)the Postdoctoral Foundation of Heilongjiang Province (No.LBHZ19154)+1 种基金the National Natural Science Foundation of Heilongjiang Province (No.LH2020E031)the Interdisciplinary Research Foundation of HIT。
文摘Initially defined high entropy alloys(HEAs)usually exhibit a single-phase solid-solution structure.However,two and/or more types of phases in HE As possibly induce the desired microstructure features,which contribute to improving the wear properties of HE As.Here,we prepare a series of(AlCoCrFeNi)_(100-x)Hf_(x)(x=0,2,4and 6;at%) HEAs and concern their phase compositions,micro structures and wear properties.Hf leads to the formation of(Ni,Co)_(2)Hf-type Laves phase and tailors the microstructure from a body-centered cubic(BCC) singlephase structure to a hypoeutectic structure.An increased hardness from~HV 512.3 to~HV 734.1 is due to solid-solution strengthening,grain refinement strengthening and precipitated phase strengthening.And a few oxides(Al_(2)O_(3)+Cr_(2)O_(3)) caused by the wear heating contribute to an 85.5% decrease in wear rate of the HEA system from6.71×10^(-5) to 0.97×10^(-5) m^(3)·N^(-1)·m^(-1).In addition,Hf addition changes the wear mechanism from abrasive wear,mild oxidative wear and adhesive wear to oxidative wear and adhesive wear.
基金Project (08dj1400402) supported by the Major Program for the Fundamental Research of Shanghai Committee of Science and Technology,China
文摘Quantitative analysis was employed to establish reasonable and practical homogenization model of INCONEL718 superalloy. Metallographic method was applied to determining the incipient melting temperature. The result shows that the incipient melting temperature of d406 mm INCONEL718 ingot is situated between 1 170 ℃ and 1 180 ℃. In order to predict the elimination process of Laves phase in quantity, a time and temperature dependent homogenization model was proposed. Among all the elements in the as-cast microstructure, Nb and Ti are the most positive segregated elements. The diffusion coefficients of alloying elements at 1 140 ℃ were obtained by fitting the linear relationship between In δ (δ residual segregation index) and time. The calculation results of diffusion coefficients were compared with other two commercial Nb-bearing superalloys.
基金Project(2011CB610406)supported by the National Basic Research Program of China
文摘Various undercoolings 14-232 K of bulk K4169 superalloys were obtained by the method of molten glass fluxing combined with superheating cycling and the mechanical properties of undercooled K4169 with as-solidified state were tested. Microstructures and phases composition in undercooled bulk K4169 superalloy were identified by transmission electron microscope (TEM), scanning electron microscope (SEM) and optical microscopy (OM). The morphology of dendrites, grain size and intergranular phase all change with the increased undercooling. Meanwhile, the relationship between microstructure of undercooled K4169 superalloy and tensile properties was investigated. The experimental results show that the uniform distribution of Laves phase and the decrease of grain size and intergranular phase content are favorable for the improvement of mechanical properties. The maximum tensile strength and elongation obtained at undercooling of 232 K are 932.2 MPa and 6.5%, respectively.
文摘The distribution of phosphorus in IN706 alloy was studied,with particular emphasis on the as-cast microstructure and homogenization treatment.It is found that phosphorus is segregated in Laves phase and markedly influences the as-cast microstructure of IN706 alloy.Phosphorus retards the formation of Laves phase with the eutectic form,but promotes the Laves formation with the blocky form.Phosphorus refines the dendritic structure and noticeably enlarges the interdendritic area.The reason for phosphorus influencing the as-cast microstructure is attributed to its extremely low solubility in γ matrix and great retarding effect on γ matrix solidification.In addition,phosphorus slightly decreases the melting temperature of Laves phase,and retards the dissolution of Laves phase and the element diffusion between dendrite core and interdendritic area during the homogenization treatment.And it is thought that phosphorus delays the homogenization process by inhibiting the element diffusion.
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.