Microscopic phase-field simulation of the coarsening behavior of coherent precipitates in Ni-Al alloys

On the basis of the microscopic phase-field dynamic model and the microelasticity theory, the characteristics of the coarsening behavior of γ′ phase in Ni-Al alloys have been systematically studied in a certain volume fraction of the precipitates. It was found that the initial irregular shape, randomly distributed γ′ phase, gradually transformed into cuboidal shape, regularly aligned along the [100] and [010] directions, and a highly preferential selected microstructure was formed during the later stage of precipita-tion. The volume fraction of the precipitates produced some effects on the precipitate morphology but did not produce an obvious ef-fect on the regularities of precipitate distribution. The coarsening rate constant from the cubic growth law decreased as a function of volume fraction for small volume fractions, remained constant for intermediate volume fractions, and increased as a function of volume fraction for large volume fractions. During the coherent coarsening process, four "splitting" patterns between γ′ phases, which belonged to different antiphase domains, were produced via particle aggregation, such as an L-shaped pattern, a doublet, a triplet, and a quartet.

Chen’s lattice inversion embedded-atom method for Ni-Al alloy

The structural properties,the enthalpies of formation,and the mechanical properties of some Ni-Al intermetallic compounds(NiAl,Ni3Al,NiAl3,Ni5Al3,Ni3Al4) are studied by using Chen's lattice inversion embedded-atom method(CLI-EAM).Our calculated lattice parameters and cohesive energies of Ni-Al compounds are consistent with the experimental and the other EAM results.The results of enthalpy of formation indicate a strong chemical interaction between Ni and Al in the intermetallic compounds.Through analyzing the alloy elastic constants,we find that all the Ni-Al intermetallic compounds discussed are mechanically stable.The bulk moduli of the compounds increase with the increasing Ni concentration.Our results also suggest that NiAl,Ni3Al,NiAl3,and Ni5Al3 are ductile materials with lower ratios of shear modulus to bulk modulus;while Ni3Al4 is brittle with a higher ratio.

Influence of chemical composition and alloying elements on microdefects and electron density in Ni-Al alloys

Positron lifetime spectra have been measured in binary Ni Al alloys with different chemical composition and NiAl alloys doped with Cr, Zr, Fe and Mg. The results indicate that in B2 NiAl and Ll 2 Ni 3Al alloys, some of the valance electrons of Ni and Al atoms are localized, which leads to a lower free electron density of the alloy. The mean free electron density of the binary Ni Al alloy decreases with increasing Al content. The open volume of defects on grain boundary of the Ni 3Al is larger than that of monovacancy or dislocation. Structural vacancies and microvoids are found in B2 NiAl alloys with Al content above 45%(mole fraction), and the concentration of the vacancies and open volume of microvoids will increase with higher Al content. The addition of Cr, Zr and Fe into a NiAl alloy can increase its mean free electron density and reduce the open volume of defects on its grain boundary, while with addition of Mg into the NiAl alloy, its mean free electron density decreases and open volume of boundary defects increases.

Correlation between the Local Atomic Structure of Melts and Glass Forming Ability in Zr-Cu-Ni-Al Alloys

The correlation between the atomic structure of melts and glass forming ability(GFA)in Zr_(53)Cu_(18.7)Ni_(12)Al_(16.3) and Zr_(50.7)Cu_(28)Ni_(9)Al_(12.3)(abbreviated as Zr53 and Zr507,respectively)alloys are studied by first principle simulations.The topological structure can be described by the Al-centered Kasper polyhedra and other distorted clusters with extrinsic disclinations.Due to the lower Al content in the Zr507 melts,its number of icosahedra is larger than that of the Zr53 melts.Also,the icosahedra in the Zr507 melts possess smaller distortion than those of the Zr_(53) melts,making the icosahedra more stable in the Zr507 melts.These two structural differences contribute to the slow dynamics and further enhance the GFA in the Zr507 alloy.

Density of Ni-Al Alloys in Liquid and Solid-Liquid Coexistence State Measured by a Modified Pycnometric Method

The density of Ni-Al alloys in both liquid state and solid-liquid coexistence state was measured with a modified pycnometric method. It was found that the density of NI-Al alloys decreases with increasing temperature and Al concentration in the alloys. The molar volume of liquid Ni-Al binary alloys increases with the increase of temperature and Al concentration. The partial molar volume of Al in NI-Al binary alloy was calculated approximately. The molar volume of liquid NI-Al alloy determined in the present work shows a negative deviation from the ideal linear molar volume.

First-principle study on phase Al_(0.8)Ni_3Sn_(0.2) in Sn-Ni-Al alloy as anode for lithium ion battery

The mechanism of lithium intercalation/deintercalation for phase Al 0.8 Ni 3 Sn 0.2 as anode material used in lithium ion battery was studied carefully based on the first-principle plane wave pseudo-potential method.The calculated results indicated that Sn-Ni-Al alloy had high theoretical capacity when used as anode material,however,there was high initial irreversible capacity loss because of the large volume expansion.Therefore the technological parameters during preparing the Sn-Ni-Al anode should be controlled strictly to make the content of Al 0.8 Ni 3 Sn 0.2 phase as low as possible and to make the anode consist of promising Sn-Ni and Al-Ni phases.For comparison,an experiment based on magnetron sputtering was done.The result showed that the calculation is in good agreement with the experiment.We found that the first-principle investigation method is of far-reaching significance in synthesising new commercial anode materials with high capacity and good cycle performance.

Hydrogen-induced amorphization of Zr-Cu-Ni-Al alloy

Arc melting was utilized in this study to produce Zr_(55)Cu_(30)Ni_5Al_(10) alloys under mixed atmospheres with various ratios of high-purity hydrogen to argon. The influences of hydrogen addition on the solidification structure and glass-forming ability of Zr_(55)Cu_(30)Ni_5Al_(10) alloy were determined by examining microstructures in different parts of the cast ingots. The results showed that different degrees of crystallization structures were obtained in the ascast button ingots after arc melting in high-purity Ar, and the cross-sectional solidification morphology of arcmelted ingots was found to consist of crystals with varying from the bottom up. By contrast, there were completely amorphous structures in the middle and upper areas of the as-cast button ingots fabricated by adding 10% H_2 to the high-purity Ar atmosphere. A clear solidification interface was found between the crystal and glass in the ascast button ingots, which indicates that hydrogen addition can enhance the Zr_(55)Cu_(30)Ni_5Al_(10) alloy's glass-forming ability. The precise mechanism responsible for this was also investigated.

Kinetics Research on In-situ Rapid Dechlorination of 1,4-dichlorobenzene by Microwave-assisted Raney Ni-Al Alloy Catalyst

[Objective]The research aimed to study rapid dechlorination kinetics of 1,4-dichlorobenzene(1,4-DCB)by microwave-assisted Raney Ni-Al alloy catalyst.[Method]Microwave-assisted Raney Ni-Al alloy catalyst was used for dechlorination of chlorobenzene(CB)and 1,4-DCB to analyze dechlorination kinetics of 1,4-DCB.[Result]Reductive dechlorination reaction of 1,4-DCB by microwave-assisted Raney Ni-Al alloy catalyst was in accordance of the two-order reaction kinetics.Reaction rate constants of 1,4-DCB dechlorination at 35 and 50℃were 0.037 6 and0.151 mol/(L·min),and the activation energy was 76.66 kJ/mol.By microwave-assisted Raney Ni-Al alloy catalyst,dechlorination rate of 1,4-DCB reached 90%at 10 min and 35℃.Moreover,two chlorine atoms were removed simultaneously,reaching the target of efficient dechlorination.[Conclusion]Dechlorination of polychlorinated organic compounds by microwave-assisted Raney Ni-Al alloy catalyst obtained good effect.

Ni-Al辅助微波自蔓延烧结制备Ti_(3)SiC_(2)基金刚石复合材料工艺研究

为降低金刚石磨削工具的制造成本和能耗,探寻一种在低能耗下实现高性能陶瓷结合剂金刚石磨具的制备工艺,同时研究助燃剂Si和金刚石粒度等因素对样品物相组成、显微形貌和磨削性能的影响。采用Ti、Si、石墨粉和金刚石磨料作为原料,经冷压成型至生胚,通过Ni-Al辅助在微波场加热诱发Ti-Si-C体系发生自蔓延高温合成(SHS)反应以制备Ti_(3)SiC_(2)基金刚石复合材料。结果表明,高热值Ni-Al合金辅助可以缩短样品的烧结时间,还可以将诱发SHS反应的温度点控制在金刚石石墨化温度以下。在Ar保护气氛下,Ti-Si-C体系发生SHS反应,可生成Ti_(3)SiC_(2)、TiC和Ti5Si3等3种物相。随Si含量升高,Ti_(3)SiC_(2)相先增多后减少,当n(Ti):n(Si):n(C)=3∶1.1∶2时,复合材料的磨削性能最佳,磨耗比最高可达286.53。分析不同原料配比下的试样磨耗比差异的产生机制,认为基体组织中存在微小且分布均匀的气孔结构,在磨削时可产生大区域的平整磨削面,易于发挥金刚石磨料的磨削效果,有利于提升复合材料样品的磨削性能。

Design of high-temperature superconductors at moderate pressures by alloying AlH3 or GaH3

Since the discovery of hydride superconductors,a significant challenge has been to reduce the pressure required for their stabilization.In this context,we propose that alloying could be an effective strategy to achieve this.We focus on a series of alloyed hydrides with the AMH_(6)composition,which can be made via alloying A15 AH_(3)(A=Al or Ga)with M(M=a group IIIB or IVB metal),and study their behavior under pressure.Seven of them are predicted to maintain the A15-type structure,similar to AH_(3)under pressure,providing a platform for studying the effects of alloying on the stability and superconductivity of AH_(3).Among these,the A15-type phases of AlZrH_(6)and AlHfH_(6)are found to be thermodynamically stable in the pressure ranges of 40–150 and 30–181 GPa,respectively.Furthermore,they remain dynamically stable at even lower pressures,as low as 13 GPa for AlZrH_(6)and 6 GPa for AlHfH_(6).These pressures are significantly lower than that required for stabilizing A15 AlH3.Additionally,the introduction of Zr or Hf increases the electronic density of states at the Fermi level compared with AlH3.This enhancement leads to higher critical temperatures(Tc)of 75 and 76 K for AlZrH_(6)and AlHfH_(6)at 20 and 10 GPa,respectively.In the case of GaMH_(6)alloys,where M represents Sc,Ti,Zr,or Hf,these metals reinforce the stability of the A15-type structure and reduce the lowest thermodynamically stable pressure for GaH_(3) from 160 GPa to 116,95,80,and 85 GPa,respectively.Particularly noteworthy are the A15-type GaMH_(6)alloys,which remain dynamically stable at low pressures of 97,28,5,and 6 GPa,simultaneously exhibiting high Tc of 88,39,70,and 49 K at 100,35,10,and 10 GPa,respectively.Overall,these findings enrich the family of A15-type superconductors and provide insights for the future exploration of high-temperature hydride superconductors that can be stabilized at lower pressures.

Microstructure and mechanical properties stability of pre-hardening treatment in Al-Cu alloys for pre-hardening forming process

The stability of the microstructure and mechanical properties of the pre-hardened sheets during the pre-hardening forming(PHF)process directly determines the quality of the formed components.The microstructure stability of the pre-hardened sheets was in-vestigated by differential scanning calorimetry(DSC),transmission electron microscopy(TEM),and small angle X-ray scattering(SAXS),while the mechanical properties and formability were analyzed through uniaxial tensile tests and formability tests.The results in-dicate that the mechanical properties of the pre-hardened alloys exhibited negligible changes after experiencing 1-month natural aging(NA).The deviations of ultimate tensile strength(UTS),yield strength(YS),and sheet formability(Erichsen value)are all less than 2%.Also,after different NA time(from 48 h to 1 month)is applied to alloys before pre-hardening treatment,the pre-hardened alloys possess stable microstructure and mechanical properties as well.Interestingly,with the extension of NA time before pre-hardening treatment from 48 h to 1 month,the contribution of NA to the pre-hardening treatment is limited.Only a yield strength increment of 20 MPa is achieved,with no loss in elongation.The limited enhancement is mainly attributed to the fact that only a limited number of clusters are transformed into Guinier-Preston(GP)zones at the early stage of pre-hardening treatment,and the formation ofθ''phase inhibits the nucleation and growth of GP zones as the precipitated phase evolves.

Accelerated design of high-performance Mg-Mn-based magnesium alloys based on novel bayesian optimization

Magnesium(Mg),being the lightest structural metal,holds immense potential for widespread applications in various fields.The development of high-performance and cost-effective Mg alloys is crucial to further advancing their commercial utilization.With the rapid advancement of machine learning(ML)technology in recent years,the“data-driven''approach for alloy design has provided new perspectives and opportunities for enhancing the performance of Mg alloys.This paper introduces a novel regression-based Bayesian optimization active learning model(RBOALM)for the development of high-performance Mg-Mn-based wrought alloys.RBOALM employs active learning to automatically explore optimal alloy compositions and process parameters within predefined ranges,facilitating the discovery of superior alloy combinations.This model further integrates pre-established regression models as surrogate functions in Bayesian optimization,significantly enhancing the precision of the design process.Leveraging RBOALM,several new high-performance alloys have been successfully designed and prepared.Notably,after mechanical property testing of the designed alloys,the Mg-2.1Zn-2.0Mn-0.5Sn-0.1Ca alloy demonstrates exceptional mechanical properties,including an ultimate tensile strength of 406 MPa,a yield strength of 287 MPa,and a 23%fracture elongation.Furthermore,the Mg-2.7Mn-0.5Al-0.1Ca alloy exhibits an ultimate tensile strength of 211 MPa,coupled with a remarkable 41%fracture elongation.

Microstructure and damping properties of LPSO phase dominant Mg-Ni-Y and Mg-Zn-Ni-Y alloys

This work studied the microstructure,mechanical properties and damping properties of Mg_(95.34)Ni_(2)Y_(2.66) and Mg_(95.34)Zn_(1)Ni_(1)Y_(2.66)alloys systematically.The difference in the evolution of the long-period stacked ordered(LPSO)phase in the two alloys during heat treatment was the focus.The morphology of the as-cast Mg_(95.34)Ni_(2)Y_(2.66)presented a disordered network.After heat treatment at 773 K for 2 hours,the eutectic phase was integrated into the matrix,and the LPSO phase maintained the 18R structure.As Zn partially replaced Ni,the crystal grains became rounded in the cast alloy,and lamellar LPSO phases and more solid solution atoms were contained in the matrix after heat treatment of the Mg_(95.34)Zn_(1)Ni_(1)Y_(2.66)alloy.Both Zn and the heat treatment had a significant effect on damping.Obvious dislocation internal friction peaks and grain boundary internal friction peaks were found after temperature-dependent damping of the Mg_(95.34)Ni_(2)Y_(2.66)and Mg_(95.34)Zn_(1)Ni_(1)Y_(2.66)alloys.After heat treatment,the dislocation peak was significantly increased,especially in the alloy Mg_(95.34)Ni_(2)Y_(2).66.The annealed Mg_(95.34)Ni_(2)Y_(2.66)alloy with a rod-shaped LPSO phase exhibited a good damping performance of 0.14 atε=10^(−3),which was due to the difference between the second phase and solid solution atom content.These factors also affected the dynamic modulus of the alloy.The results of this study will help in further development of high-damping magnesium alloys.

Effect of pre-twinning and heat treatment on formability of AZX311 Mg alloy

In this study,the effects of pre-strain-induced tensile twins(TTWs)and controlled heat treatment on the formability behavior of AZX311 Mg alloy sheets were investigated.A 4%compressive strain was applied to pre-strain the sheets using the in-plane compression(IPC)technique along the rolling direction(RD)to introduce TTWs.The pre-strained(PS)samples were subsequently heat-treated at 250℃,350℃,and 400℃ independently for 1 hr,and are termed as PSA1,PSA2,and PSA3,respectively.Erichsen cupping tests were conducted to assess the formability of the sheet samples under different initial conditions.The results showed that the PS sample heat-treated at 250℃ for 1hr exhibited a decrease in the Erichsen index(IE)compared to the as-rolled sample,whereas PSA2 and PSA3 samples showed an increase in IE values.Microtexture analysis revealed that most of the TTWs generated through pre-twinning were stable at 250℃;however,the twin volume fraction reduced to 41%at 350℃ compared to the PS samples due to enhanced thermal activity at that temperature.Furthermore,PSA2 samples showed severe grain coarsening in some areas of the sample,and the fraction of such grains increased in the PSA3 samples.The stretch formability(IE value)of PSA2 samples showed a 32.3%increase compared to the as-rolled specimens.Additionally,the analysis of the deformed specimen at failure under the Erichsen test indicated that considerable detwinning occurs in the PS and PSA1 samples,whereas dislocation slip activity dominates in the PSA2 and PSA3 samples during stretch forming.Apart from detwinning and dislocation slip,deformation twins were also observed in all samples after the Erichsen test.Thus,this work highlights the importance of texture control and its underlying mechanisms via pre-twinning followed by heat treatment and their impact on the room temperature(RT)stretch formability of AZX311 Mg alloy sheets.

Surface morphologies of Mg-Gd alloy particle during its reactions with O_(2) and Teflon

Mg-Gd alloy particle has exhibited its unique combustion properties as the fuel of Mg/Teflon/Viton(MTV).Mg-Gd alloy/Teflon/Viton(MGTV)could burn at lower ambient pressure than MTV.To further investigate the reaction of MGTV in air,it was investigated via thermo gravity-differential scanning calorimetry(TG-DSC).Meanwhile,the morphologies and element distributions on the alloy surface during the reaction of MGTV in air were investigated via scanning electronic microscope-mapping-electronic differential spectrometer.Meanwhile,a similar experimental protocol on the Mg-Gd alloy particle during oxidation was also applied.The results showed that owning to a protective oxide shell,the onset oxidation temperature of Mg-Gd alloy is higher than Mg.However,the onset oxidation temperature of the exceeded Mg-Gd alloy in MGTV is significantly lower than that of the exceeded Mg in MTV.It was due to the existence of GdOF,which could significantly lower the oxidation temperature of the exceeded fuel.Furthermore,a possible reaction mechanism was proposed.The fascinating oxidation properties of Mg-Gd alloy suggested its promising applications in energetic materials.

Revealing the role of pyramidal slip in the high ductility of Mg-Li alloy

The high ductility of Mg-Li alloy has been mainly ascribed to a high activity of pyramidal<c+a>slip to accommodate plastic strain.In the present study,however,a quantitative analysis reveals that Li-addition can only slightly stimulate the activation of pyramidal<c+a>slip under compression along the normal direction of a hot-rolled Mg-4.5 wt.%Li plate,with a relative activity of approximately 18%.Although the limited activity of pyramidal<c+a>slip alone cannot accommodate a large plastic strain,it effectively reduces the number of{10.11}−{10.12}double twins,which are believed to be favorable sites for crack initiation.The evidently reduced activity of double twins leads to a lower cracking tendency,and therefore improves ductility.

Oxidation behavior and improvement in nonflammability of LPSO-type Mg–Zn–Y–Sr alloy

Mg_(97)Zn_(1)Y_(2)alloys with high ignition temperatures were developed by adding Sr.The addition of Sr resulted in the formation of a uniform and thin Y_(2)O_(3)film.Mg–Zn–Y alloys containing at least 0.25 at.%Sr exhibited ignition temperatures of 1270–1320 K.As a result of EDS measurement,Sr was found to be concentrated in the Y_(2)O_(3)film.In addition,a mixed film of MgO and Sr O formed on the outer layer in the 1.5 at.%Sr-containing Mg_(97)Zn_(1)Y_(2)alloy.These findings suggest that the uniform and thin Y_(2)O_(3)film that maintains high soundness at high temperatures was formed owing to valence control and the formation of a protective outer oxide film.

High corrosion and wear resistant electroless Ni–P gradient coatings on aviation aluminum alloy parts

A Ni–P alloy gradient coating consisting of multiple electroless Ni–P layers with various phosphorus contents was prepared on the aviation aluminum alloy. Several characterization and electrochemical techniques were used to characterize the different Ni–P coatings’ morphologies, phase structures, elemental compositions, and corrosion protection. The gradient coating showed good adhesion and high corrosion and wear resistance, enabling the application of aluminum alloy in harsh environments. The results showed that the double zinc immersion was vital in obtaining excellent adhesion (81.2 N). The optimal coating was not peeled and shredded even after bending tests with angles higher than 90°and was not corroded visually after 500 h of neutral salt spray test at 35℃. The high corrosion resistance was attributed to the misaligning of these micro defects in the three different nickel alloy layers and the amorphous structure of the high P content in the outer layer. These findings guide the exploration of functional gradient coatings that meet the high application requirement of aluminum alloy parts in complicated and harsh aviation environments.

Microstructures and Properties of Biomedical Mg-Zn-Sn-Zr Rolled Alloys

The as-cast Mg-2.0Zn-1.5Sn-xZr(x=0,0.4,0.6,0.8,1.0 wt%)alloy was rolled with the pressure less than 5%each time.The microstructure,mechanical properties,corrosion properties and biocompatibility of the alloy were investigated.The microstructure of the alloy was observed and analyzed by scanning electron microscope,and the tensile test was carried out by universal tensile machine.The corrosion resistance of the alloy in Hank's solution was studied by hydrogen evolution experiment and electrochemical test,and the biocompatibility of the alloy was tested by L929 cells.The results show that Mg-2Zn-1.5Sn-xZr alloy has excellent mechanical properties.The elongation of Mg-2Zn-1.5Sn-xZr alloy decreases with the increase of Zr content,but the tensile strength first increases and then decreases with the increase of Zr concentration.When the Zr content is 0.8 wt%,the maximum tensile strength of the alloy is 235 MPa.The results of hydrogen evolution experiment and electrochemical analysis show that the corrosion resistance of the alloy is the best when the Zr content is 0.8 wt%,and all the five alloys have high biocompatibility.In conclusion,the rolled alloy has good properties and has broad application prospects in the field of biomaterials.

Effect of characteristics and distribution of Mg_(17)Al_(12)precipitates on tensile and bending properties of high-Al-containing Mg alloys

This study investigates the effect of characteristics and distribution of Mg_(17)Al_(12)precipitates on the uniaxial tensile and three-point bending properties of extruded Mg alloys containing high Al contents.The extruded Mg–9Al–1Zn–0.3Mn(AZ91)alloy contains lamellar-structured Mg_(17)Al_(12)discontinuous precipitates along the grain boundaries,which are formed via static precipitation during natural air cooling.The extruded Mg–11Al–1Zn–0.3Mn(AZ111)alloy contains spherical Mg_(17)Al_(12)precipitates at the grain boundaries and inside the grains,which are formed via dynamic precipitation during extrusion.Due to inhomogeneous distribution of precipitates,the AZ111 alloy consists of two different precipitate regions:precipitate-rich region with numerous precipitates and finer grains and precipitate-scarce region with a few precipitates and coarser grains.The AZ111 alloy exhibits a higher tensile strength than the AZ91 alloy because its smaller grain size and more abundant precipitates result in stronger grain-boundary hardening and precipitation hardening effects,respectively.However,the tensile elongation of the AZ111 alloy is lower than that of the AZ91 alloy because the weak cohesion between the dynamic precipitates and the matrix facilitates the crack initiation and propagation.During bending,a macrocrack initiates on the outer surface of bending specimen in both alloys.The AZ111 alloy exhibits higher bending yield strength and lower failure bending strain than the AZ91 alloy.The bending specimens of the AZ91 alloy have similar bending formability,whereas those of the AZ111 alloy exhibit considerable differences in bending formability and crack propagation behavior,depending on the distribution and number density of precipitates in the specimen.In bending specimens of the AZ111 alloy,it is found that the failure bending strain(ε_(f,bending))is inversely proportional to the area fraction of precipitates in the outer zone of bending specimen(A_(ppt)),with a relationship ofε_(f,bending)=–0.1A_(ppt)+5.86.