Porous intermetallics show potential in the field of filtration and separation as well as in the field of catalysis.Herein,porous Ti Fe2intermetallics were fabricated by the reactive synthesis of elemental powders.The...Porous intermetallics show potential in the field of filtration and separation as well as in the field of catalysis.Herein,porous Ti Fe2intermetallics were fabricated by the reactive synthesis of elemental powders.The phase transformation and pore formation of porous TiFe2intermetallics were investigated,and its corrosion behavior and hydrogen evolution reaction(HER)performance in alkali solution were studied.Porous TiFe2intermetallics with porosity in the range of 34.4%-56.4%were synthesized by the diffusion reaction of Ti and Fe elements,and the pore formation of porous TiFe2intermetallic compound is the result of a combination of the bridging effect and the Kirkendall effect.The porous TiFe2samples exhibit better corrosion resistance compared with porous 316L stainless steel,which is related to the formation of uniform nanosheets on the surface that hinder further corrosion,and porous TiFe2electrode shows the overpotential of 220.6 and 295.6 mV at 10 and 100 mA·cm-2,suggesting a good catalytic performance.The synthesized porous Fe-based intermetallic has a controllable pore structure as well as excellent corrosion resistance,showing its potential in the field of filtration and separation.展开更多
In this study,the effects of intermetallic compounds(Mg_(17)Al_(12)and Al_(8)Mn_(5))on the Mg-Al layered double hydroxide(LDH)formation mechanism and corrosion behavior of an in-situ LDH/Mg(OH)_(2)steam coatings on AZ...In this study,the effects of intermetallic compounds(Mg_(17)Al_(12)and Al_(8)Mn_(5))on the Mg-Al layered double hydroxide(LDH)formation mechanism and corrosion behavior of an in-situ LDH/Mg(OH)_(2)steam coatings on AZ80 Mg alloy were investigated.Citric acid(CA)was used to activate the alloy surface during the pretreatment process.The alloy was first pretreated with CA and then subjected to a hydrothermal process using ultrapure water to produce Mg-Al-LDH/Mg(OH)_(2)steam coating.The effect of different time of acid pretreatment on the activation of the intermetallic compounds was investigated.The microstructure and elemental composition of the obtained coatings were analyzed using FE-SEM,EDS,XRD and FT-IR.The corrosion resistance of the coated samples was evaluated using different techniques,i.e.,potentiodynamic polarization(PDP),electrochemical impedance spectrum(EIS)and hydrogen evolution test.The results indicated that the CA pretreatment significantly influenced the activity of the alloy surface by exposing the intermetallic compounds.The surface area fraction of Mg_(17)Al_(12)and Al_(8)Mn_(5)phases on the surface of the alloy was significantly higher after the CA pretreatment,and thus promoted the growth of the subsequent Mg-Al-LDH coatings.The CA pretreatment for 30 s resulted in a denser and thicker LDH coating.Increase in the CA pretreatment time significantly led to the improvement in corrosion resistance of the coated AZ80 alloy.The corrosion current density of the coated alloy was lower by three orders of magnitude as compared to the uncoated alloy.展开更多
Friction stir welding of dissimilar Al/Mg thick plates still faces severe challenges, such as poor formability, formation of thick intermetallic compounds, and low joint strength. In this work, two joint configuration...Friction stir welding of dissimilar Al/Mg thick plates still faces severe challenges, such as poor formability, formation of thick intermetallic compounds, and low joint strength. In this work, two joint configurations, namely inclined butt(conventional butt) and serrated interlocking(innovative butt), are proposed for improving weld formation and joint quality. The results show that a continuous and straight intermetallic compound layer appears at the Mg side interface in conventional butt joint, and the maximum average thickness reaches about 60.1 μm.Additionally, the Mg side interface also partially melts, forming a eutectic structure composed of Mg solid solution and Al_(12)Mg_(17) phase.For the innovative butt joint, the Mg side interface presents the curved interlocking feature, and intermetallic compounds can be reduced to less than 10 μm. The joint strength of innovative butt joint is more than three times that of conventional butt joint. This is due to the interlocking effect and thin intermetallic compounds in the innovative joint.展开更多
In the present work,we have employed machine learning(ML)techniques to evaluate ductile-brittle(DB)behaviors in intermetallic compounds(IMCs)which can form magnesium(Mg)alloys.This procedure was mainly conducted by a ...In the present work,we have employed machine learning(ML)techniques to evaluate ductile-brittle(DB)behaviors in intermetallic compounds(IMCs)which can form magnesium(Mg)alloys.This procedure was mainly conducted by a proxy-based method,where the ratio of shear(G)/bulk(B)moduli was used as a proxy to identify whether the compound is ductile or brittle.Starting from compounds information(composition and crystal structure)and their moduli,as found in open databases(AFLOW),ML-based models were built,and those models were used to predict the moduli in other compounds,and accordingly,to foresee the ductile-brittle behaviors of these new compounds.The results reached in the present work showed that the built models can effectively catch the elastic moduli of new compounds.This was confirmed through moduli calculations done by density functional theory(DFT)on some compounds,where the DFT calculations were consistent with the ML prediction.A further confirmation on the reliability of the built ML models was considered through relating between the DB behavior in MgBe_(13) and MgPd_(2),as evaluated by the ML-predicted moduli,and the nature of chemical bonding in these two compounds,which in turn,was investigated by the charge density distribution(CDD)and electron localization function(ELF)obtained by DFT methodology.The ML-evaluated DB behaviors of the two compounds was also consistent with the DFT calculations of CDD and ELF.These findings and confirmations gave legitimacy to the built model to be employed in further prediction processes.Indeed,as examples,the DB characteristics were investigated in IMCs that might from in three Mg alloy series,involving AZ,ZX and WE.展开更多
A micromechanical model is presented to study the initiation and propagation of microcracks of intermetallic compounds(IMCs)in solder joints.The effects of the grain aggregate morphology,the grain boundary defects and...A micromechanical model is presented to study the initiation and propagation of microcracks of intermetallic compounds(IMCs)in solder joints.The effects of the grain aggregate morphology,the grain boundary defects and the sensitivity of the various cohesive zone parameters in predicting the overall mechanical response are investigated.The overall strength is predominantly determined by the weak grain interfaces;both the grain aggregate morphology and the weak grain interfaces control the crack configuration;the different normal and tangential strengths of grain interfaces result in different intergranular cracking behaviors and play a critical role in determining the macroscopic mechanical response of the system.展开更多
Highly active and robust electrocatalysts are desired for proton exchange membrane fuel cells.Pt-based intermetallic compounds(IMCs) have been recognized as one of the most promising low-platinum catalysts for fuel ce...Highly active and robust electrocatalysts are desired for proton exchange membrane fuel cells.Pt-based intermetallic compounds(IMCs) have been recognized as one of the most promising low-platinum catalysts for fuel cells(FCs).Herein,we report a high-performance IMCs by anchoring ordered PtCoNi ternary nanoparticles on the N,Co and Ni co-doped dodecahedral mesoporous carbon(DMC).While the introduced Co and Ni participate in the formation of PtCoNi IMCs,some of them are doped in the mesoporous carbon and coordinated by N to form Co-N_(y)/Ni-N_(z)dual active centers,which further enhances the electrocatalytic activity towards oxygen reduction reaction.Moreover,the addition of Ni results in a negative shift of the d-band center of Pt as compared to the Pt/DMC and Pt_(3)Co/DMC,making it easier to adsorb oxygen on the surface.As expected,our optimal sample Pt_(3)Co_(0.7)Ni_(0.3)/DMC exhibits excellent performance with mass activity and specific activity of 1.32 A mgPt-1and 1.98 mA cm^(-2)at 0.9 V,which are 7.33and 6.19 times that of commercial Pt/C,respectively.The Pt_(3)Co_(0.7)Ni_(0.3)/DMC also reveals much better cathodic performance in an H2-air single fuel cell than commercial Pt/C catalyst with a power density of0.802 W cm^(-2).This work provides critical sights into constructing efficient catalysts by ternary intermetallic strategy and synergetic effect between active components and support.展开更多
The effect of Si on the growth kinetics of intermetallic compounds during the reaction of solid iron and molten aluminum was investigated with a scanning electron microscope coupled with an energy dispersive X-ray spe...The effect of Si on the growth kinetics of intermetallic compounds during the reaction of solid iron and molten aluminum was investigated with a scanning electron microscope coupled with an energy dispersive X-ray spectroscope, and hot-dip aluminized experiments. The results show that the intermetallic layer is composed of major Fe2Al5 and minor FeAl3. The Al-Fe-Si ternary phase, rl/rg, is formed in the Fe2Al5 layer. The tongue-like morphology of the Fe2Als layer becomes less distinct and disappears finally as the content of Si in aluminum bath increases. Si in the bath improves the prohibiting ability to the growth of Fe2Als and FeAl3. When the contents of Si are 0, 0.5%, 1.0%, 1.5%, 2.0% and 3.0%, the activation energies of Fe2Al5 are evaluated to be 207, 186, 169, 168, 167 and 172 kJ/mol, respectively. The reduction of the activation energy might result from the lattice distortion caused by Si atom penetrating into the Fe2Al5 phase. When Si atom occupies the vacancy site, it blocks easy diffusion path and results in the disappearance of tongue-like morphology.展开更多
The Fe-containing intermetallic compounds with high melting point in hypereutectic Al-Si alloys can improve the heat resistance and wear resistance at elevated temperatures. However, the long needle-like Fe-containing...The Fe-containing intermetallic compounds with high melting point in hypereutectic Al-Si alloys can improve the heat resistance and wear resistance at elevated temperatures. However, the long needle-like Fe-containing compounds in the alloys produced by conventional casting process are detrimental to the strength of matrix. The effect of ultrasonic vibration （USV） on the morphology change of Fe-containing intermetallic compounds in the hypereutectic Al-17Si-xFe （x=2, 3, 4, 5） alloys was systematically studied. The results show that, the Fe-containing intermetallic compounds are mainly composed of long needle-like β-Al5FeSi phase with a small amount of plate-like δ-Al4FeSi2 phase in Al-17Si-2Fe alloy produced by conventional casting process. With the increase of Fe content from 2% to 5% in the alloys, the amount of plate-like or coarse needle-like δ-Al4FeSi2 phase increases while the amount of long needle-like β-Al5FeSi phases decreases. In Al-17Si-5Fe alloy, the Fe-containing intermetallic compounds exist mainly as coarse needle-like δ-Al4FeSi2 phase. After USV treatment, the Fe-containing compounds in the Al-17Si-xFe alloys are refined and exist mainly as δ-Al4FeSi2 particles, with average grain size ranging from 26 μm to 37 μm, and only a small amount of β-Al5FeSi phases remain. The mechanism of USV on the morphology of Fe-containing intermetallic compounds was also discussed.展开更多
The growth of intermetallic compounds at the interface between solid Al and Fe and the effects of intermetallic compound layers on the interfacial bonding of clad materials were investigated. The results showed that t...The growth of intermetallic compounds at the interface between solid Al and Fe and the effects of intermetallic compound layers on the interfacial bonding of clad materials were investigated. The results showed that the interface between the solid Fe and Al formed by heat-treatment consisted of Fe2Al5 and FeAl3 intermetallic compound layers, which deteriorated the interfacial bonding strength. Fractures occurred in the intermetallic compound layer during the shear testing. The location of the fracture depended on the defects of microcracks or voids in the intermetallic compound layers. The microcracks in the intermetallic compound layer were caused by the mismatch of thermal expansion coefficients of materials during cooling, and the voids were consistent with the Kirkendall effect. The work will lay an important foundation for welding and joining of aluminum and steel, especially for fabrication of Al-Fe clad materials.展开更多
Crystallization of intermetallic compound layer between Cu and SnZn alloy under uniform magnetic field was studied. The effect of magnetic field density on the growth behavior of the intermetallic layer such as micros...Crystallization of intermetallic compound layer between Cu and SnZn alloy under uniform magnetic field was studied. The effect of magnetic field density on the growth behavior of the intermetallic layer such as microstructure, crystal orientation and composition was analyzed by scanning electron microscopy, X-ray diffraction and electron-probe microanalysis, respectively. Compared with the intermetallic layer without magnetic field, 0.1 T of magnetic flux density decreases the layer thickness. However, further increasing magnetic flux density promotes the layer growth. Application of magnetic field also changes the crystal orientation of intermetallic layer, but has no obvious influence on the layer composition. This phenomenon can be attributed to the role of thermo-electromagnetic convection and Lorentz force on the Cu dissolution as well as the accumulation of Cu solute at the interface front.展开更多
The mechanism of antithrombotic of Dahuangzhechong Fang separated and purified by Ti-Al intermetallic compound porous material (TAICPM) was researched. Dahuangzhechong Fang, which was isolated and screened by TAICPM, ...The mechanism of antithrombotic of Dahuangzhechong Fang separated and purified by Ti-Al intermetallic compound porous material (TAICPM) was researched. Dahuangzhechong Fang, which was isolated and screened by TAICPM, was used to oral rats. At the end of study, their blood and thrombus were collected. The results show that TAICPM with the pore size of 1-5 μm can screen Dahuangzhechong Fang well. Dahuangzhechong Fang can increase 6-keto-PGF1α, lower content of TXD2 and platelet. Dahuangzhechong Fang has good effect to resist arterial thrombosis.展开更多
Based on microstructure analysis of the new Ti-A1 intermetallic compound porous material, a micromechanics model of heterogeneous Plateau porous structure was established and calculation formulas of elastic constants ...Based on microstructure analysis of the new Ti-A1 intermetallic compound porous material, a micromechanics model of heterogeneous Plateau porous structure was established and calculation formulas of elastic constants （including effective elastic modulus, effective shear elastic modulus and effective Poisson ratio） were derived by the energy method for this porous material. Calculation results show that both the effective elastic modulus and effective shear elastic modulus increase with the increase of the relative density while the effective Poisson ratio decreases. Compared with the currently-existing hexagonal honeycomb model and micromechanics model of composite materials, the micromechanics model of heterogeneous Plateau porous structure in this study is more suitable for characterizing the medium-density porous material and more accurate for predicting the effective elastic constants of the medium-density porous material. Moreover, the obtained explicit expressions of the effective elastic constants in term of the relative density rather than the microstructural parameters for the uniform and regular Plateau porous structure are more convenient to engineering application.展开更多
Ni/Si O_2 and bimetallic Ni_xGa/SiO_2 catalysts with different Ni/Ga atomic ratios(x = 10～2) were investigated for the selective hydrogenation of acetylene.It was found that Ni_xGa/SiO_2 showed higher selectivity to ...Ni/Si O_2 and bimetallic Ni_xGa/SiO_2 catalysts with different Ni/Ga atomic ratios(x = 10～2) were investigated for the selective hydrogenation of acetylene.It was found that Ni_xGa/SiO_2 showed higher selectivity to ethylene than Ni/Si O_2.This is attributed to the formation Ni-Ga alloy and Ni3 Ga intermetallic compound(IMC) where there was a charge transfer from Ga to Ni,which is favorable for reducing the adsorption strength and amount of ethylene on Ni atoms.As a result,the over-hydrogenation,the C–C bond hydrogenolysis and the polymerization were suppressed,and subsequently the selectivity to ethylene was enhanced.With the decrease of Ni/Ga atomic ratio,the activity and stability of the Ni_xGa/SiO_2 catalysts increased first and then decreased,while the ethylene selectivity tended to increase.Ni_5 Ga/SiO_2 exhibited the best performance.Under the conditions of 180 °C,0.1 MPa,and a reactant(1.0 vol% acetylene,5.0 vol% H_2 and 94 vol% N_2) with the space velocity of 36,000 m L h^(-1) g^(-1),the acetylene conversion maintained at 100% on Ni_5 Ga/SiO_2 during 120 h time on stream and the selectivity to ethylene was 75%～81%after reaction for 68 h.It was also found that the formation of Ni-Ga alloy and Ni_3 Ga IMC suppressed the incorporation of carbon to form NiCx,subsequently enhancing the catalyst stability.Additionally,with increasing the Ga content,the catalyst acid amount and strength tended to increase,which promoted the polymerization and carbon deposition and so the catalyst deactivation.展开更多
The intermetallic compound Zr1-xTixCo was prepared and its suitability for hydrogen storage was investigated. The alloys obtained by magnetic levitation melting with the composition of Zr1-xTixCo (x=0, 0.1, 0.2 and 0....The intermetallic compound Zr1-xTixCo was prepared and its suitability for hydrogen storage was investigated. The alloys obtained by magnetic levitation melting with the composition of Zr1-xTixCo (x=0, 0.1, 0.2 and 0.3, at.%) show single cubic phase by X-ray diffraction. A single sloping plateau was observed on each isothermal, and pressure-composition-temperature (PCT) measurement results show that the equilibrium hydrogen desorption pressure of Zr1-xTixCo alloy increases with increasing Ti content. The desorption temperatures for supplying 100 kPa hydrogen are about 665, 642, 621 and 614 K for ZrCo, Zr0.9Ti0.1Co, Zr0.8Ti0.2Co and Zr0.7Ti0.3Co alloy, respectively. Repeated hydrogen absorption and desorption cycles do not generate separated ZrCo, TiCo and ZrH2 phases, indicating that alloys have good thermal and hydrogen stabilization.展开更多
The effects of heat treatment on the microstructure and mechanical properties of intermetallic compounds in the interface of stainless steel 321 explosively bonded to aluminum 1230 were investigated in this study. Exp...The effects of heat treatment on the microstructure and mechanical properties of intermetallic compounds in the interface of stainless steel 321 explosively bonded to aluminum 1230 were investigated in this study. Experimental investigations were performed by optical microscopy, scanning electron microscopy, and microhardness and shear tensile strength testing. Prior to heat treatment, increasing the stand-off distance between samples from 1 to 2.5 mm caused their interface to become wavy and the thickness of intermetallic layers to increase from 3.5 to 102.3 μm. The microhardness increased from HV 766 in the sample prepared at a stand-off distance of 1 mm to HV 927 in the sample prepared at a stand-off distance of 2.5 mm; in addition, the sample strength increased from 103.2 to 214.5 MPa. Heat treatment at 450°C for 6 h increased the thickness of intermetallic compound layers to 4.4 and 118.5 μm in the samples prepared at stand-off distances of 1 and 2.5 mm, respectively. These results indicated that increasing the duration and temperature of heat treatment decreased the microhardness and strength of the interface of explosively welded stainless steel 321-Al 1230 and increased the thickness of the intermetallic region.展开更多
Joining Mg to Al is challenging because of the deterioration of mechanical properties caused by the formation of intermetallic compounds(IMCs) at the Mg/Al interface. This study aims to improve the mechanical properti...Joining Mg to Al is challenging because of the deterioration of mechanical properties caused by the formation of intermetallic compounds(IMCs) at the Mg/Al interface. This study aims to improve the mechanical properties of welded samples by preventing the fracture location at the Mg/Al interface. Friction stir welding was performed to join Mg to Al at different rotational and travel speeds. The microstructure of the welded samples showed the IMCs layers containing Al12Mg17(γ) and Al3Mg2(β) at the welding zone with a thickness(< 3.5 μm). Mechanical properties were mainly affected by the thickness of the IMCs, which was governed by welding parameters. The highest tensile strength was obtained at 600 r/min and 40 mm/min with a welding efficiency of 80%. The specimens could fracture along the boundary at the thermo-mechanically affected zone in the Mg side of the welded joint.展开更多
The magnetocaloric effect （MCE） in many rare earth （RE） based intermetallic compounds has been extensively in- vestigated during the last two decades, not only due to their potential applications for magnetic refr...The magnetocaloric effect （MCE） in many rare earth （RE） based intermetallic compounds has been extensively in- vestigated during the last two decades, not only due to their potential applications for magnetic refrigeration but also for better understanding of the fundamental problems of the materials. This paper reviews our recent progress on studying the magnetic properties and MCE in some binary or ternary intermetallic compounds of RE with low boiling point metal（s） （Zn, Mg, and Cd）. Some of them exhibit promising MCE properties, which make them attractive for low temperature magnetic refrigeration. Characteristics of the magnetic transition, origin of large MCE, as well as the potential application of these compounds are thoroughly discussed. Additionally, a brief review of the magnetic and magnetocaloric properties in the quaternary rare earth nickel boroncarbides RENi2B2C superconductors is also presented.展开更多
In this paper the geometric description and general theory of mechanical twinning are reviewed, the twins in general lattices and superlattices are summarized, and the kinetic process by which mechanical twins form is...In this paper the geometric description and general theory of mechanical twinning are reviewed, the twins in general lattices and superlattices are summarized, and the kinetic process by which mechanical twins form is revisited. A case study of mechanical twinning of HfV2+Nb, (cubic) Laves phase, is presented and the synchroshear of selected atomic layers is proposed to explain the physical process of twin formation. If the twins form in this way, then long shear vectors and / or atomicshuffles are not really necessary.展开更多
基金financially supported by the National Natural Science Foundation of China(No.51971251)。
文摘Porous intermetallics show potential in the field of filtration and separation as well as in the field of catalysis.Herein,porous Ti Fe2intermetallics were fabricated by the reactive synthesis of elemental powders.The phase transformation and pore formation of porous TiFe2intermetallics were investigated,and its corrosion behavior and hydrogen evolution reaction(HER)performance in alkali solution were studied.Porous TiFe2intermetallics with porosity in the range of 34.4%-56.4%were synthesized by the diffusion reaction of Ti and Fe elements,and the pore formation of porous TiFe2intermetallic compound is the result of a combination of the bridging effect and the Kirkendall effect.The porous TiFe2samples exhibit better corrosion resistance compared with porous 316L stainless steel,which is related to the formation of uniform nanosheets on the surface that hinder further corrosion,and porous TiFe2electrode shows the overpotential of 220.6 and 295.6 mV at 10 and 100 mA·cm-2,suggesting a good catalytic performance.The synthesized porous Fe-based intermetallic has a controllable pore structure as well as excellent corrosion resistance,showing its potential in the field of filtration and separation.
基金This work was supported by the National Natural Science Foundation of China(Grant Nos.51601108 and 52071191)the Natural Science Foundation of Shandong Province(ZR2020ME011).
文摘In this study,the effects of intermetallic compounds(Mg_(17)Al_(12)and Al_(8)Mn_(5))on the Mg-Al layered double hydroxide(LDH)formation mechanism and corrosion behavior of an in-situ LDH/Mg(OH)_(2)steam coatings on AZ80 Mg alloy were investigated.Citric acid(CA)was used to activate the alloy surface during the pretreatment process.The alloy was first pretreated with CA and then subjected to a hydrothermal process using ultrapure water to produce Mg-Al-LDH/Mg(OH)_(2)steam coating.The effect of different time of acid pretreatment on the activation of the intermetallic compounds was investigated.The microstructure and elemental composition of the obtained coatings were analyzed using FE-SEM,EDS,XRD and FT-IR.The corrosion resistance of the coated samples was evaluated using different techniques,i.e.,potentiodynamic polarization(PDP),electrochemical impedance spectrum(EIS)and hydrogen evolution test.The results indicated that the CA pretreatment significantly influenced the activity of the alloy surface by exposing the intermetallic compounds.The surface area fraction of Mg_(17)Al_(12)and Al_(8)Mn_(5)phases on the surface of the alloy was significantly higher after the CA pretreatment,and thus promoted the growth of the subsequent Mg-Al-LDH coatings.The CA pretreatment for 30 s resulted in a denser and thicker LDH coating.Increase in the CA pretreatment time significantly led to the improvement in corrosion resistance of the coated AZ80 alloy.The corrosion current density of the coated alloy was lower by three orders of magnitude as compared to the uncoated alloy.
基金supported by the National Natural Science Foundation of China (No.51874179,52005240 and 52164045)the Young Talent Program of Major Disciplines of Academic and Technical Leaders in Jiangxi Province (No.20212BCJ23028)。
文摘Friction stir welding of dissimilar Al/Mg thick plates still faces severe challenges, such as poor formability, formation of thick intermetallic compounds, and low joint strength. In this work, two joint configurations, namely inclined butt(conventional butt) and serrated interlocking(innovative butt), are proposed for improving weld formation and joint quality. The results show that a continuous and straight intermetallic compound layer appears at the Mg side interface in conventional butt joint, and the maximum average thickness reaches about 60.1 μm.Additionally, the Mg side interface also partially melts, forming a eutectic structure composed of Mg solid solution and Al_(12)Mg_(17) phase.For the innovative butt joint, the Mg side interface presents the curved interlocking feature, and intermetallic compounds can be reduced to less than 10 μm. The joint strength of innovative butt joint is more than three times that of conventional butt joint. This is due to the interlocking effect and thin intermetallic compounds in the innovative joint.
基金supported by National Research Foundation(NRF)of South Korea(2020R1A2C1004720)。
文摘In the present work,we have employed machine learning(ML)techniques to evaluate ductile-brittle(DB)behaviors in intermetallic compounds(IMCs)which can form magnesium(Mg)alloys.This procedure was mainly conducted by a proxy-based method,where the ratio of shear(G)/bulk(B)moduli was used as a proxy to identify whether the compound is ductile or brittle.Starting from compounds information(composition and crystal structure)and their moduli,as found in open databases(AFLOW),ML-based models were built,and those models were used to predict the moduli in other compounds,and accordingly,to foresee the ductile-brittle behaviors of these new compounds.The results reached in the present work showed that the built models can effectively catch the elastic moduli of new compounds.This was confirmed through moduli calculations done by density functional theory(DFT)on some compounds,where the DFT calculations were consistent with the ML prediction.A further confirmation on the reliability of the built ML models was considered through relating between the DB behavior in MgBe_(13) and MgPd_(2),as evaluated by the ML-predicted moduli,and the nature of chemical bonding in these two compounds,which in turn,was investigated by the charge density distribution(CDD)and electron localization function(ELF)obtained by DFT methodology.The ML-evaluated DB behaviors of the two compounds was also consistent with the DFT calculations of CDD and ELF.These findings and confirmations gave legitimacy to the built model to be employed in further prediction processes.Indeed,as examples,the DB characteristics were investigated in IMCs that might from in three Mg alloy series,involving AZ,ZX and WE.
基金supported by the NationalNatural Science Foundation of China (NSFC) under Grant 11872078,and Beijing Natural Science Foundation No.3222005.
文摘A micromechanical model is presented to study the initiation and propagation of microcracks of intermetallic compounds(IMCs)in solder joints.The effects of the grain aggregate morphology,the grain boundary defects and the sensitivity of the various cohesive zone parameters in predicting the overall mechanical response are investigated.The overall strength is predominantly determined by the weak grain interfaces;both the grain aggregate morphology and the weak grain interfaces control the crack configuration;the different normal and tangential strengths of grain interfaces result in different intergranular cracking behaviors and play a critical role in determining the macroscopic mechanical response of the system.
基金supported by the National Key Research and Development Program of China(2017YFB0102900 and 2016YFB0101201)the National Natural Science Foundation of China(51971094,21476088 and 21776104)the Guangdong Provincial Department of Science and Technology(2015A030312007)。
文摘Highly active and robust electrocatalysts are desired for proton exchange membrane fuel cells.Pt-based intermetallic compounds(IMCs) have been recognized as one of the most promising low-platinum catalysts for fuel cells(FCs).Herein,we report a high-performance IMCs by anchoring ordered PtCoNi ternary nanoparticles on the N,Co and Ni co-doped dodecahedral mesoporous carbon(DMC).While the introduced Co and Ni participate in the formation of PtCoNi IMCs,some of them are doped in the mesoporous carbon and coordinated by N to form Co-N_(y)/Ni-N_(z)dual active centers,which further enhances the electrocatalytic activity towards oxygen reduction reaction.Moreover,the addition of Ni results in a negative shift of the d-band center of Pt as compared to the Pt/DMC and Pt_(3)Co/DMC,making it easier to adsorb oxygen on the surface.As expected,our optimal sample Pt_(3)Co_(0.7)Ni_(0.3)/DMC exhibits excellent performance with mass activity and specific activity of 1.32 A mgPt-1and 1.98 mA cm^(-2)at 0.9 V,which are 7.33and 6.19 times that of commercial Pt/C,respectively.The Pt_(3)Co_(0.7)Ni_(0.3)/DMC also reveals much better cathodic performance in an H2-air single fuel cell than commercial Pt/C catalyst with a power density of0.802 W cm^(-2).This work provides critical sights into constructing efficient catalysts by ternary intermetallic strategy and synergetic effect between active components and support.
基金Project (51071135) supported by the National Natural Science Foundation of ChinaProject (20114301110005) supported by the Ph. D.Programs Foundation of Ministry of Education of ChinaProject (10XZX15) supported by the Science Foundation of Xiangtan University,China
文摘The effect of Si on the growth kinetics of intermetallic compounds during the reaction of solid iron and molten aluminum was investigated with a scanning electron microscope coupled with an energy dispersive X-ray spectroscope, and hot-dip aluminized experiments. The results show that the intermetallic layer is composed of major Fe2Al5 and minor FeAl3. The Al-Fe-Si ternary phase, rl/rg, is formed in the Fe2Al5 layer. The tongue-like morphology of the Fe2Als layer becomes less distinct and disappears finally as the content of Si in aluminum bath increases. Si in the bath improves the prohibiting ability to the growth of Fe2Als and FeAl3. When the contents of Si are 0, 0.5%, 1.0%, 1.5%, 2.0% and 3.0%, the activation energies of Fe2Al5 are evaluated to be 207, 186, 169, 168, 167 and 172 kJ/mol, respectively. The reduction of the activation energy might result from the lattice distortion caused by Si atom penetrating into the Fe2Al5 phase. When Si atom occupies the vacancy site, it blocks easy diffusion path and results in the disappearance of tongue-like morphology.
基金Project(2012CB619600)supported by the National Basic Research Program of ChinaProject(50775086)supported by the National Natural Science Foundation of China
文摘The Fe-containing intermetallic compounds with high melting point in hypereutectic Al-Si alloys can improve the heat resistance and wear resistance at elevated temperatures. However, the long needle-like Fe-containing compounds in the alloys produced by conventional casting process are detrimental to the strength of matrix. The effect of ultrasonic vibration （USV） on the morphology change of Fe-containing intermetallic compounds in the hypereutectic Al-17Si-xFe （x=2, 3, 4, 5） alloys was systematically studied. The results show that, the Fe-containing intermetallic compounds are mainly composed of long needle-like β-Al5FeSi phase with a small amount of plate-like δ-Al4FeSi2 phase in Al-17Si-2Fe alloy produced by conventional casting process. With the increase of Fe content from 2% to 5% in the alloys, the amount of plate-like or coarse needle-like δ-Al4FeSi2 phase increases while the amount of long needle-like β-Al5FeSi phases decreases. In Al-17Si-5Fe alloy, the Fe-containing intermetallic compounds exist mainly as coarse needle-like δ-Al4FeSi2 phase. After USV treatment, the Fe-containing compounds in the Al-17Si-xFe alloys are refined and exist mainly as δ-Al4FeSi2 particles, with average grain size ranging from 26 μm to 37 μm, and only a small amount of β-Al5FeSi phases remain. The mechanism of USV on the morphology of Fe-containing intermetallic compounds was also discussed.
基金Project(2011DFR50630)sponsored by the International S&T Cooperation of China
文摘The growth of intermetallic compounds at the interface between solid Al and Fe and the effects of intermetallic compound layers on the interfacial bonding of clad materials were investigated. The results showed that the interface between the solid Fe and Al formed by heat-treatment consisted of Fe2Al5 and FeAl3 intermetallic compound layers, which deteriorated the interfacial bonding strength. Fractures occurred in the intermetallic compound layer during the shear testing. The location of the fracture depended on the defects of microcracks or voids in the intermetallic compound layers. The microcracks in the intermetallic compound layer were caused by the mismatch of thermal expansion coefficients of materials during cooling, and the voids were consistent with the Kirkendall effect. The work will lay an important foundation for welding and joining of aluminum and steel, especially for fabrication of Al-Fe clad materials.
基金Project (501101024) supported by the National Natural Science Foundation of ChinaProject supported by the Fundamental Research Funds for the Central Universities, China
文摘Crystallization of intermetallic compound layer between Cu and SnZn alloy under uniform magnetic field was studied. The effect of magnetic field density on the growth behavior of the intermetallic layer such as microstructure, crystal orientation and composition was analyzed by scanning electron microscopy, X-ray diffraction and electron-probe microanalysis, respectively. Compared with the intermetallic layer without magnetic field, 0.1 T of magnetic flux density decreases the layer thickness. However, further increasing magnetic flux density promotes the layer growth. Application of magnetic field also changes the crystal orientation of intermetallic layer, but has no obvious influence on the layer composition. This phenomenon can be attributed to the role of thermo-electromagnetic convection and Lorentz force on the Cu dissolution as well as the accumulation of Cu solute at the interface front.
基金Project (2010FA32370) supported by The Ministry of Science and Technology of ChinaProject (2008WK3002) supported by Hunan Provincial Science and Technology DepartmentProject (20060390891) supported by the Postdoctoral Science Foundation of China
文摘The mechanism of antithrombotic of Dahuangzhechong Fang separated and purified by Ti-Al intermetallic compound porous material (TAICPM) was researched. Dahuangzhechong Fang, which was isolated and screened by TAICPM, was used to oral rats. At the end of study, their blood and thrombus were collected. The results show that TAICPM with the pore size of 1-5 μm can screen Dahuangzhechong Fang well. Dahuangzhechong Fang can increase 6-keto-PGF1α, lower content of TXD2 and platelet. Dahuangzhechong Fang has good effect to resist arterial thrombosis.
基金Project(50825102) supported by the National Natural Science Funds for Distinguished Young Scholar,ChinaProject(2009CB623406) supported by the National Basic Research Program of China
文摘Based on microstructure analysis of the new Ti-A1 intermetallic compound porous material, a micromechanics model of heterogeneous Plateau porous structure was established and calculation formulas of elastic constants （including effective elastic modulus, effective shear elastic modulus and effective Poisson ratio） were derived by the energy method for this porous material. Calculation results show that both the effective elastic modulus and effective shear elastic modulus increase with the increase of the relative density while the effective Poisson ratio decreases. Compared with the currently-existing hexagonal honeycomb model and micromechanics model of composite materials, the micromechanics model of heterogeneous Plateau porous structure in this study is more suitable for characterizing the medium-density porous material and more accurate for predicting the effective elastic constants of the medium-density porous material. Moreover, the obtained explicit expressions of the effective elastic constants in term of the relative density rather than the microstructural parameters for the uniform and regular Plateau porous structure are more convenient to engineering application.
基金supported by the National Natural Science Foundation of China (21576193)
文摘Ni/Si O_2 and bimetallic Ni_xGa/SiO_2 catalysts with different Ni/Ga atomic ratios(x = 10～2) were investigated for the selective hydrogenation of acetylene.It was found that Ni_xGa/SiO_2 showed higher selectivity to ethylene than Ni/Si O_2.This is attributed to the formation Ni-Ga alloy and Ni3 Ga intermetallic compound(IMC) where there was a charge transfer from Ga to Ni,which is favorable for reducing the adsorption strength and amount of ethylene on Ni atoms.As a result,the over-hydrogenation,the C–C bond hydrogenolysis and the polymerization were suppressed,and subsequently the selectivity to ethylene was enhanced.With the decrease of Ni/Ga atomic ratio,the activity and stability of the Ni_xGa/SiO_2 catalysts increased first and then decreased,while the ethylene selectivity tended to increase.Ni_5 Ga/SiO_2 exhibited the best performance.Under the conditions of 180 °C,0.1 MPa,and a reactant(1.0 vol% acetylene,5.0 vol% H_2 and 94 vol% N_2) with the space velocity of 36,000 m L h^(-1) g^(-1),the acetylene conversion maintained at 100% on Ni_5 Ga/SiO_2 during 120 h time on stream and the selectivity to ethylene was 75%～81%after reaction for 68 h.It was also found that the formation of Ni-Ga alloy and Ni_3 Ga IMC suppressed the incorporation of carbon to form NiCx,subsequently enhancing the catalyst stability.Additionally,with increasing the Ga content,the catalyst acid amount and strength tended to increase,which promoted the polymerization and carbon deposition and so the catalyst deactivation.
文摘The intermetallic compound Zr1-xTixCo was prepared and its suitability for hydrogen storage was investigated. The alloys obtained by magnetic levitation melting with the composition of Zr1-xTixCo (x=0, 0.1, 0.2 and 0.3, at.%) show single cubic phase by X-ray diffraction. A single sloping plateau was observed on each isothermal, and pressure-composition-temperature (PCT) measurement results show that the equilibrium hydrogen desorption pressure of Zr1-xTixCo alloy increases with increasing Ti content. The desorption temperatures for supplying 100 kPa hydrogen are about 665, 642, 621 and 614 K for ZrCo, Zr0.9Ti0.1Co, Zr0.8Ti0.2Co and Zr0.7Ti0.3Co alloy, respectively. Repeated hydrogen absorption and desorption cycles do not generate separated ZrCo, TiCo and ZrH2 phases, indicating that alloys have good thermal and hydrogen stabilization.
文摘The effects of heat treatment on the microstructure and mechanical properties of intermetallic compounds in the interface of stainless steel 321 explosively bonded to aluminum 1230 were investigated in this study. Experimental investigations were performed by optical microscopy, scanning electron microscopy, and microhardness and shear tensile strength testing. Prior to heat treatment, increasing the stand-off distance between samples from 1 to 2.5 mm caused their interface to become wavy and the thickness of intermetallic layers to increase from 3.5 to 102.3 μm. The microhardness increased from HV 766 in the sample prepared at a stand-off distance of 1 mm to HV 927 in the sample prepared at a stand-off distance of 2.5 mm; in addition, the sample strength increased from 103.2 to 214.5 MPa. Heat treatment at 450°C for 6 h increased the thickness of intermetallic compound layers to 4.4 and 118.5 μm in the samples prepared at stand-off distances of 1 and 2.5 mm, respectively. These results indicated that increasing the duration and temperature of heat treatment decreased the microhardness and strength of the interface of explosively welded stainless steel 321-Al 1230 and increased the thickness of the intermetallic region.
基金Universiti Kebangsaan Malaysia for supporting this research project through the research funding (AP-2015-016)
文摘Joining Mg to Al is challenging because of the deterioration of mechanical properties caused by the formation of intermetallic compounds(IMCs) at the Mg/Al interface. This study aims to improve the mechanical properties of welded samples by preventing the fracture location at the Mg/Al interface. Friction stir welding was performed to join Mg to Al at different rotational and travel speeds. The microstructure of the welded samples showed the IMCs layers containing Al12Mg17(γ) and Al3Mg2(β) at the welding zone with a thickness(< 3.5 μm). Mechanical properties were mainly affected by the thickness of the IMCs, which was governed by welding parameters. The highest tensile strength was obtained at 600 r/min and 40 mm/min with a welding efficiency of 80%. The specimens could fracture along the boundary at the thermo-mechanically affected zone in the Mg side of the welded joint.
基金Project supported by the National Natural Science Foundation of China(Grant Nos.11374081 and 11004044)the Fundamental Research Funds for the Central Universities+4 种基金China(Grant Nos.N150905001L1509006and N140901001)the Japan Society for the Promotion of Science Postdoctoral Fellowships for Foreign Researchers(Grant No.P10060)the Alexander von Humboldt(Av H)Foundation(Research stipend to L.Li)
文摘The magnetocaloric effect （MCE） in many rare earth （RE） based intermetallic compounds has been extensively in- vestigated during the last two decades, not only due to their potential applications for magnetic refrigeration but also for better understanding of the fundamental problems of the materials. This paper reviews our recent progress on studying the magnetic properties and MCE in some binary or ternary intermetallic compounds of RE with low boiling point metal（s） （Zn, Mg, and Cd）. Some of them exhibit promising MCE properties, which make them attractive for low temperature magnetic refrigeration. Characteristics of the magnetic transition, origin of large MCE, as well as the potential application of these compounds are thoroughly discussed. Additionally, a brief review of the magnetic and magnetocaloric properties in the quaternary rare earth nickel boroncarbides RENi2B2C superconductors is also presented.
文摘In this paper the geometric description and general theory of mechanical twinning are reviewed, the twins in general lattices and superlattices are summarized, and the kinetic process by which mechanical twins form is revisited. A case study of mechanical twinning of HfV2+Nb, (cubic) Laves phase, is presented and the synchroshear of selected atomic layers is proposed to explain the physical process of twin formation. If the twins form in this way, then long shear vectors and / or atomicshuffles are not really necessary.
