Effects of Fe-Al intermetallic compounds on interfacial bonding of clad materials

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.

Microstructure and corrosion resistance of Fe-Al intermetallic coating on 45 steel synthesized by double glow plasma surface alloying technology

A binary Fe-Al alloyed layer was synthesized on 45 steel by means of double glow plasma surface alloying technique. The corrosion-resisting layer prepared is composed of a sedimentary layer and a diffusion layer, with a total thickness of about 180 μm. The aluminum content of the alloyed layer shows gradual change from surface to the inside of substrate. The ideal profile is beneficial to the metallurgical bonding of the surface alloying layer with substrate materials. The microstructure of both layers consists of the Fe-Al intermetallic compound, which is FeAl with B2 structure in the sedimentary layer and Fe3Al with incompletely ordered DO3 structure in the diffusion layer. The protective film exhibits high micro-hardness. In comparison with the substrate of 45 steel, the corrosion resistance of the aluminized sample is much higher in 2.0% Na2S and 0.05 mol/L Na2SO4 + 0.5 mol/L NaCl mixed solutions.

Preparation and properties of the Ni-Al/Fe-Al intermetallics composite coating produced by plasma cladding

A novel approach to produce an intermetallic composite coating was put forward.The microstructure,microhardness,and dry-sliding wear behavior of the composite coating were investigated using X-ray diffraction （XRD）,scanning electron microscopy （SEM）,energy dispersive spectrum （EDS） analysis,microhardness test,and ball-on-disc wear experiment.XRD results indicate that some new phases FeAl,Fe0.23Ni0.77Al,and Ni3Al exit in the composite coating with the Al2O3 addition.SEM results show that the coating is bonded with carbon steel metallurgically and exhibits typical rapid directional solidification structures.The Cr7C3 carbide and intermetallic compounds co-reinforced composite coating has a high average hardness and exhibits an excellent wear resistance under dry-sliding wear test compared with the Cr7C3 carbide-reinforced composite coating.The formation mechanism of the intermetallic compounds was also investigated.

Accelerated intermetallic phase amorphization in a Mg-based high-entropy alloy powder

We describe a novel mechanism for the synthesis of a stable high-entropy alloy powder from an otherwise immiscible Mg-Ti rich metallic mixture by employing high-energy mechanical milling.The presented methodology expedites the synthesis of amorphous alloy powder by strategically injecting entropic disorder through the inclusion of multi-principal elements in the alloy composition.Predictions from first principles and materials theory corroborate the results from microscopic characterizations that reveal a transition of the amorphous phase from a precursor intermetallic structure.This transformation,characterized by the emergence of antisite disorder,lattice expansion,and the presence of nanograin boundaries,signifies a departure from the precursor intermetallic structure.Additionally,this phase transformation is accelerated by the presence of multiple principal elements that induce severe lattice distortion and a higher configurational entropy.The atomic size mismatch of the dissimilar elements present in the alloy produces a stable amorphous phase that resists reverting to an ordered lattice even on annealing.

Tin-mediated carbon-confined Pt_(3)Co ordered intermetallic nanoparticles as highly efficient and durable oxygen reduction electrocatalysts for rechargeable zinc-air batteries

The development of electrocatalysts for the oxygen reduction reaction(ORR) that bears high selectivity,exceptional activity,and long-term stability is crucial for advancing various green energy technologies.Intermetallics composed of platinum and transition metals are considered to be promising candidates for this purpose.However,they typically face challenges such as unfavorable intrinsic activity and a propensity for particle aggregation,diminishing their ORR performance.Against this backdrop,we present our findings on a N-doped carbon confined Pt_(3)Co intermetallic doped with p-block metal tin(Pt_(3)Co_(x)Sn_(1-x)/NC).The introduction of Sn induces lattice strain due to its larger atomic size,which leads to the distortion of the Pt_(3)Co lattice structure,while the coupling of carbon polyhedra inhibits the particle aggregation.The optimized Pt_(3)Co_(0.8)Sn_(0.2)/NC catalyst demonstrates an impressive half-wave potential of 0.86 V versus RHE,surpassing both Pt_(3)Co/NC and Pt_(3)Sn/NC catalysts.Moreover,the Pt_(3)Co_(0.8)Sn_(0.2)/NC exhibits a mass-specific activity as high as 1.4 A mg_(Pt)^(-1),ranking it in the top level among the intermetallicsbased ORR electrocatalysts.When further employed as a cathode material in a self-assembled zinc-air battery,it shows stable operation for over 80 h.These results underscore the significant impact of lattice strain engineering through the strategic doping of p-block metal in the carbon-confined Pt_(3)Co intermetallic,thereby enhancing the catalytic efficiency for the ORR.

Porous TiFe_(2) intermetallic compound fabricated via elemental powder reactive synthesis

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.

Optimization of chemistry and process parameters for control of intermetallic formation in Mg sludges

Intermetallic formation in sludge during magnesium(Mg)melting,holding and high pressure die casting practices is a very important issue.But,very often it is overlooked by academia,original equipment manufacturers(OEM),metal ingot producers and even die casters.The aim of this study was to minimize the intermetallic formation in Mg sludge via the optimization of the chemistry and process parameters.The Al8Mn5 intermetallic particles were identified by the microstructure analysis based on the Al and Mn ratio.The design of experiment(DOE)technique,Taguchi method,was employed to minimize the intermetallic formation in the sludge of Mg alloys with various chemical compositions of Al,Mn,Fe,and different process parameters,holding temperature and holding time.The sludge yield(SY)and intermetallic size(IS)was selected as two responses.The optimum combination of the levels in terms of minimizing the intermetallic formation were 9 wt.%Al,0.15 wt.%Mn,0.001 wt.%(10 ppm)Fe,690℃ for the holding temperature and holding at 30 mins for the holding time,respectively.The best combination for smallest intermetallic size were 9 wt.%Al,0.15 wt.%Mn,0.001 wt.%(10 ppm)Fe,630℃ for the holding temperature and holding at 60 mins for the holding time,respectively.Three groups of sludge factors,Chemical Sludge(CSF),Physical Sludge(PSF)and Comprehensive Sludge Factors(and CPSF)were established for prediction of sludge yields and intermetallic sizes in Al-containing Mg alloys.The CPSF with five independent variables including both chemical elements and process parameters gave high accuracy in prediction,as the prediction of the PSF with only the two processing parameters of the melt holding temperature and time showed a relatively large deviation from the experimental data.The Chemical Sludge Factor was primarily designed for small ingot producers and die casters with a limited melting and holding capacity,of which process parameters could be fixed easily.The Physical Sludge Factor could be used for mass production with a single type of Mg alloy,in which the chemistry fluctuation might be negligible.In large Mg casting suppliers with multiple melting and holding furnaces and a number of Mg alloys in production,the Comprehensive Sludge Factor should be implemented to diminish the sludge formation.

Transforming Cu into Cu_(2)O/RuAl intermetallic heterojunction for lowering the thermodynamic energy barrier of the CO_(2) reduction and evolution reactions in Li-CO_(2) battery

The Li-CO_(2) battery has been under the spotlight of future battery technologies since it can achieve CO_(2)utilization and energy conversion simultaneously.However,its advancement is hampered by poor energy efficiency and limited reversibility due to the sluggish kinetics of the CO_(2) reduction and evolution reactions.Herein,a multiscale nanoporous interpenetrating phase nanohybrid of RuAl intermetallic and Cu_(2)O(MP-Cu_(2)O/RuAl) was carved by driving synchronous phase and microstructure evolutions through dealloying of one RuCuAl master alloy.The built-in RuAl intermetallic and Cu_(2)O closely stack to form abundant nano-interfaces with revolutionized electronic structure,The theoretical simulations reveal that the Cu_(2)O/RuAl interface can distinctly reduce the energy barrier of the Li_(2)CO_(3) decomposition reaction,The interconnected pore channels with large surface area can enhance catalytic site accessibility,mass transfer,and uniform deposition of the discharge products.In situ differential electrochemical mass spectrometry discloses that the CO_(2)-to-electron ratio during charging coincides with the theoretical value of 3/4,demonstrating the high efficacy of MP-Cu_(2)O/RuAl in achieving the recycling of CO_(2).The dealloying protocol provides an affordable platform to empower transition metal oxides into high-efficiency electrocatalysts by hybridizing with metallic nano-sponge for advancing the application of Li-CO_(2)batteries.

Ultrafine ordered L1_(2)-Pt-Co-Mn ternary intermetallic nanoparticles as high-performance oxygen-reduction electrocatalysts for practical fuel cells

The long-range periodically ordered atomic structures in intermetallic nanoparticles(INPs)can significantly enhance both the electrocatalytic activity and electrochemical stability toward the oxygen reduction reaction(ORR)compared to the disordered atomic structures in ordinary solid-solution alloy NPs.Accordingly,through a facile and scalable synthetic method,a series of carbon-supported ultrafine Pt_3Co_(x)Mn_(1-x)ternary INPs are prepared in this work,which possess the"skin-like"ultrathin Pt shells,the ordered L1_(2) atomic structure,and the high-even dispersion on supports(L1_(2)-Pt_3Co_(x)Mn_(1-x)/~SPt INPs/C).Electrochemical results present that the composition-optimized L1_(2)-Pt_3Co_(0.7)Mn_(0.3)/~SPt INPs/C exhibits the highest electrocata lytic activity among the series,which are also much better than those of the pristine ultrafine Pt/C.Besides,it also has a greatly enhanced electrochemical stability.In addition,the effects of annealing temperature and time are further investigated.More importantly,such superior ORR electrocatalytic performance of L1_(2)-Pt_3Co_(0.7)Mn_(0.3)/~SPt INPs/C are also well demonstrated in practical fuel cells.Physicochemical characterization analyses further reveal the major origins of the greatly enhanced ORR electrocata lytic performance:the Pt-Co-Mn alloy-induced geometric and ligand effects as well as the extremely high L1_(2) atomic-ordering degree.This work not only successfully develops a highly active and stable ordered ternary intermetallic ORR electrocatalyst,but also elucidates the corresponding"structure-function"relationship,which can be further applied in designing other intermetallic(electro)catalysts.

Electronic structure and FIM imaging mechanism of Fe-Al intermetallic compounds

The electronic structure and some one-electron properties of binary intermetallic compounds Fe3Al (the F1∶Al4 model cluster) and FeAl (the Fe7Al8 and Fe4Al4 model clusters) are investigated by the SCF-Xα-SW method. The results show that the binding tendency between an Fe atom and the Fe3Al cluster is a little weaker than that between an Al atom and the Fe3Al cluster, which is in contrast to the case in FeAl. And charge is transferred from Al atoms to Fe atoms in both systems. Thus it is concluded that Al atoms contribute to the FIM image of Fe3Al whatever the imaging mechanism, selective evaporation or selective ionization is, which is in good agreement with our FIM experimental results. For FeAl, no definite experimental evidence regarding FIM imaging atom species is available so far. But our calculated result that Al atoms will be evaporated preferentially leads to the prediction that Fe atoms will be imaged in FIM micrographs.

Fe-Al金属间化合物的第一性原理研究综述

Fe-Al金属间化合物具有密度低、比强度高、抗高温氧化和耐腐蚀性良好等优点,且成本低廉,成为镍基高温合金潜在的替代结构材料。综述了利用第一性原理计算研究元素掺杂/微合金化对Fe-Al金属间化合物及涂层的室温脆性、高温强度、界面结合、抗高温氧化及耐腐蚀性能影响的研究进展,设计了第一性原理研究B2型Fe-Al合金耐氯化盐腐蚀机理的理论计算方案,展望了第一性原理计算应用于Fe-Al合金及涂层材料研究的发展方向。

Corrosion resistance of Mg-Al-LDH steam coating on AZ80 Mg alloy:Effects of citric acid pretreatment and intermetallic compounds

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.

An innovative joint interface design for reducing intermetallic compounds and improving joint strength of thick plate friction stir welded Al/Mg joints

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.

Characterizations on the instantaneously formed Ni-containing intermetallics in magnesium alloys

Instantaneous reactions of Al,Mn,Zn,Zr and Y with Ni by mixing the prepared Mg-8Al-0.4Mn,Mg-6Zn-2Y-0.5Zr and Mg-0.6Ni melts were investigated in this work to reveal the underlying mechanisms of their effects on the removal of Ni impurity.The results indicate three Ni-containing intermetallics,namely Al_(4)NiY,Al_(4)Ni(Y,Zr)and Al_(31)Ni_(2)Mn_(6).The former two phases present lath-like and have a relatively larger size(>20μm in length)than the latest one which is granular with the diameter of∼120 nm.This illustrates that Al and Y(/Zr)can efficiently remove Ni by forming Al_(4)NiY or Al_(4)Ni(Y,Zr)which would precipitate to the bottom of the melt.Furthermore,adding Y into Mg-Al based alloys can simultaneously remove Fe and Ni,which contributes their excellent corrosion resistance.Finally,this paper proposes two methods helped to efficiently remove Ni for both Mg-Al based alloys and Al-free Mg alloys,and both of them are also benefit to improve alloys’strength.

Brittle and ductile characteristics of intermetallic compounds in magnesium alloys: A large-scale screening guided by machine learning

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.

High-entropy L1_(2)-Pt(FeCoNiCuZn)_(3) intermetallics for ultrastable oxygen reduction reaction

Enhancing the stability of Pt-based electrocatalysts for the sluggish cathodic oxygen reduction reaction(ORR)is critical for proton exchange membrane fuel cells(PEMFCs).Herein,high-entropy intermetallic(HEI)L1_(2)-Pt(FeCoNiCuZn)3is designed for durable ORR catalysis.Benefiting from the unique HEI structure and the enhanced intermetallic phase stability,Pt(FeCoNiCuZn)3/C nanoparticles demonstrate significantly improved stability over Pt/C and PtCu_(3)/C catalysts.The Pt(FeCoNiCuZn)3/C exhibits a negligible decay of the half-wave potential during 30,000 potential cycles from 0.6 to 1.0 V,whereas Pt/C and PtCu_(3)/C are negatively shifted by 46 and 36 m V,respectively.Even after 10,000 cycles at potential up to 1.5 V,the mass activity of Pt(FeCoNiCuZn)3/C still shows~70%retention.As evidenced by the structural characterizations,the HEI structure of Pt(FeCoNiCuZn)3/C is well maintained,while PtCu_(3)/C nanoparticles undergo severe Cu leaching and particle growth.In addition,when assembled Pt(FeCoNiCuZn)3/C as the cathode in high-temperature PEMFC of 160℃,the H_(2)-O_(2)fuel cell delivers almost no degradation even after operating for 150 h,demonstrating the potential for fuel cell applications.This work provides a facile design strategy for the development of high-performance ultrastable electrocatalysts.

Microstructure evolution and corrosion behavior of Fe-Al-based intermetallic aluminide coatings under acidic condition

Two Fe-Al-based intermetallic aluminide coatings were fabricated on 430-SS(Fe-Cr)and 304-SS(Fe-Cr-Ni)substrates by pressure-assisted solid diffusion bonding with coating on pure Fe as control.The microstructure and intermetallic phases of the coatings were characterized by SEM,EDS and EBSD.A network of Cr2Al13 with matrix of Fe4Al13 was formed by inter-diffusing of Al with the substrates.The corrosion behavior of intermetallic coatings was investigated in 0.5 mol/L HCl solution by mass-loss,OCP,Tafel plot and EIS.It was found that corrosion resistance was greatly enhanced by dozens of times after the addition of Cr and Ni compared with that on pure Fe.The presence of cracks in the coating on 430-SS provided a pathway for corrosion media to penetrate to the substrate and accelerated the corrosion rate.Moreover,the corrosion product was analyzed by XRD,demonstrating that the addition of Cr and Ni facilitated the formation of more corrosion resistant phases,and therefore improved corrosion resistance.

PtCoNi ternary intermetallic compounds anchored on Co,Ni and N co-doped mesoporous carbon:Synergetic effect between PtCoNi nanoparticles and doped mesoporous carbon promotes the catalytic activity

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.

Computational Modeling of Intergranular Crack Propagation in an Intermetallic Compound Layer

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.

Development of 3D bicontinuous metal-intermetallic composites through subsequent alloying process after liquid metal dealloying

This study presents a novel process for the fabrication of metal-intermetallic composites with a 3D bicontinuous structure, achieved through a combination of liquid metal dealloying(LMD) and subsequent alloying. Initially, porous Ti structures are produced using the LMD process, followed by immersion in a molten Mg-3Al(wt%) metal. Due to the higher thermodynamic miscibility of Al with Ti compared to Mg, the concentration of Al in the Ti matrix increases as the immersion time increases. This results in a sequential phase transition within the Ti matrix: α-Ti → Ti_(3)Al → Ti Al. The phase transition considerably affects the hardness and strength of the composite material,with the Mg-Ti_(3)Al-Ti Al composite exhibiting a maximum hardness nearly twice as high as that of the conventional Mg-Ti composite. This innovative process holds potential for the development of various bicontinuous metal-intermetallic composites.