Integrated Computational Materials Engineering for the Development and Design of High Modulus Al Alloys

Integrated computational materials engineering(ICME)is to integrate multi-scale computational simulations and key experimental methods such as macroscopic,mesoscopic,and microscopic into the whole process of Al alloys design and development,which enables the design and development of Al alloys to upgrade from traditional empirical to the integration of compositionprocess-structure-mechanical property,thus greatly accelerating its development speed and reducing its development cost.This study combines calculation of phase diagram(CALPHAD),Finite element calculations,first principle calculations,and microstructure characterization methods to predict and regulate the formation and structure of composite precipitates from the design of highmodulus Al alloy compositions and optimize the casting process parameters to inhibit the formation of micropore defects in the casting process,and the final tensile strength of Al alloys reaches420 MPa and Young's modulus reaches more than 88 GPa,which achieves the design goal of the high strength and modulus Al alloys,and establishes a new mode of the design and development of the strength/modulus Al alloys.

Relationship Between the Processing Parameters and the Properties of Semi-solid Processed Al Alloys

Relationship between the processing parameters and the properties of semi-solid processed Al alloys were studied and microstructure and mechanical properties of semi-solid processed Al parts for automobile application as a function of processing parameters were compared with those of die-cast parts and forged parts. In addition, the locations for the gate during the semi-solid processing were varied to elucidate the distribution of micro-porosities and resulting mechanical properties and the T6 heat tre...

An Experimental Study of Thermophysical Properties for Quinary High-Entropy NiFeCoCrCu/Al Alloys

Two quinary high-entropy alloys （HEAs） with equiatomic concentrations formed by doping either Cu or A1 elements into the quaternary NiFeCoCr alloy are produced by arc melting and spray casting techniques. Their entropy of fusion, thermal expansion coefficient and thermal diffusivity are experimentally investigated with differential scanning cMorimetry, dilatometry and laser flash methods. The NiFeCoCrCu HEAs contain a face- centered cubic high-entropy phase plus a minor interdendritic （Cu） phase and display a lower entropy of fasion and the Vickers hardness. The NiFeCoCrAl HEAs consist of two body-centered cubie high-entropy phases with coarse dendritic structures and show higher entropy of fusion and the Vickers hardness. Both the thermal expansion coefficient and the thermal diffusivity of the former Cu-doped alloy are signitieantly larger than those of the latter At-doped M1oy. Although the temperature dependence of thermal diffusivity is similar for both HEAs, it is peculiar that the thermal expansion curve of the NiFeCoCrAl alloy exhibits an inflexion at temperatures of 860-912 K.

Surface oxidation study of molten Mg–Al alloys by oxide/metal/oxide sandwich method

The dynamic oxidation of molten Mg–Al alloy was investigated via the oxide/metal/oxide(OMO)sandwich method.The characteristics of sandwiches were explored using optical microscopy,scanning electron microscopy,X-ray energy dispersive spectroscopy,and X-ray diffraction analyses.The results showed the formation of porous oxide films with varying thicknesses from 0.43 to 16.7 mm.Both the measurements and calculations confirmed the literature findings that the oxidation product consists mainly of MgO and Mg Al_(2)O_(4)compounds.The increase in thickness and amount of folds formed on the oxide films implies the significant effect of aluminum in reducing the oxidation resistance of magnesium.

Effect of Nb and alloying elements on interface reaction between high Nb-containing TiAl alloys and ZrO_2-based ceramic moulds

In the present study, Ti-45Al-(6, 7, 8)Nb(at%) and Ti-45Al-8Nb-0.5(Mn, Si, Y, B) alloys were prepared by arc melting and casting into Zr O2(Y2O3 stabilized) ceramic moulds to study the effect of alloying elements Nb and Mn, Si, Y, B on the interfacial reaction between casting Ti Al alloys and ceramic moulds by SEM, and the elements' distribution in the interface reaction layer by line scanning. The results showed that with an increase in Nb content, the interfacial reaction weakened and the thickness of the reaction layer decreased gradually. The interface reaction thickness of the alloys with Nb content of 6, 7, 8at% were 60, 34 and 26 μm, respectively. Clearly, the addition of 8at% Nb to Ti-45 Al is the best for the thickness of the reaction layer. The addition of Nb would form a Nb-rich film in the reaction layer, which could reduce the solubility of oxygen in the interface, and suppress further diffusion of oxygen to the matrix. If the same content of Mn, Si, Y, or B alloying elements were added respectively to Ti-45Al-8Nb, the thickness of the interface reaction layer from large to small was as follows: Mn>Si>Y>B. The interface reaction thickness increased after 0.5at% Mn added, had no obvious change after 0.5at% Si addition, and decreased after adding 0.5at% Y or B. The introduced elements, which formed a protective film or/and promoted the formation of a dense aluminum oxide layer, would be of benefit to the resistance of interfacial reaction.

Diffusion of Hydrogen along the Grain Boundaries in Ni_3Al Alloys

The diffusivity of hydrogen in two Ni3Al alloys (No.1 and No.2) has been measured in the temperature range of 100 degreesC to 420 degreesC using an ultrahigh vacuum gaseous permeation technique. The diffusivity data fall into two segments, in which the hydrogen diffusivity adheres to the Arrhenius form, respectively. From the hydrogen diffusivity, it is conjectured that the hydrogen diffusivity reflects the hydrogen transportation along the grain boundaries at lower temperature and the hydrogen transportation in the lattice at higher temperature. The intergranular fracture of Lit-type intermetallics induced by hydrogen at relative low temperature results from hydrogen transportation along the grain boundaries and not in the lattice.

Correlation of the Mechanical Properties of Polycrystalline Ni_3Al Alloys with Their Electronic Structure

The electronic structure of Ni_3Al alloys with different B contents has been investigated by measuring the positron lifetime spectra.The segregation of B atoms to defects could form strong covalent bondings with Ni and Al atoms and make the electronic structure in those locations similar to that in bulk,thus strengthen their cohesion.The interaction of B atoms,which were solid-solutioned in the crystal lattice of Ni_3Al in a manner of occupying interstitial sites,with Ni and Al atoms resulted in the increase of the density of valent electrons,thus increased the bonding cohesion in bulk.The im- provement of the mechanical properties of Ni_3Al alloys by B doping was due to both“grain bounda- ry effect”and“bulk effect”of B,which correlated with their electronic structure.

CERIUM-INDUCED GRAIN BOUNDARY STRENGTHENINGOF Ni_3Al ALLOYS

The infiuence of cerium on grnin boundaries of polycrpstalline N3Al alloys has beenstudied. The ja6mcability of a Ce-doped N3Al alloy strongly depends on the certumcontent. The alloy exhibits very poor fabrica6ility and cannot be fabrtcated into goodsheet8 by cold rolling when the concentmtion of cerium is <0. 0088wt% or>0.044wt%.A 0.011wt%Ce-doped N3Al alloy exhibits relatively good fabricability and may be fab-ricated into useful sheets by repeated cold rolling with 1OOa C annealing. The ductilityof the alloy strongly depends on the cerium distribution. Wthout the grain boundaryprecipitation of a second phase containing cer1um) the higher the segmpation level ofcerzum, the 6ettcr the tensile properties of the alloys, and in turn the more enhancedthe grain boundary cohesion.

EFFECTS OF Cr AND Nb ON MICROSTRUCTURES AND MECHANICAL PROPERTIES OF Fe_3Al ALLOYS

The effects of Cr and Nb on tensile properties at room and elevated temperatures and also on the microstructure have been investigated.An improvement in ductiliy plasicity and the cleavage strength of Fe_3AI may result from adding Cr;the improvement is more pronounced at over 400℃.The formation of Fe_2Nb containing A1 precipitates in the Fe_3AI+Nb alloy provide significant strengthening effect.Additions of Cr and Nb in Fe_3AI can cause a signifi- cant improvement in the yield strength at 550℃.

MECHANISMS AND PREDICTION OF FRACTURE TOUGHNESS ANISOTROPY OF HIGH STRENGTH Al ALLOYS

Contributions of weak grain boundary,cracking path deflection and grain boundary delamination to fracture toughness anisotropy of high strength Al alloys were evaluated based upon approaches of fracture mechanics in conjunction with physical cracking mechanisms. The predicted results are close to those experimentally determined in the literature and in this work.The strong anisotropy of fracture toughness of high strength Al alloys is therefore attri- buted mainly to weak grain boundary cracking,cracking path deflection and grain boundary detamination.With the methods of this work,short-transverse fracture toughness values of some semi-products can he estimated from in-plane toughness values and corresponding frac- ture characteristics when it is difficult to be determined experimentally.

MICROSTRUCTURE STUDY OF CONSTITUENT PHASES IN 2024 SERIES Al ALLOYS

X-ray microanalysis,convergent beam electron diffraction(CBD)and selected area electron diffraction(SAD)studies on the structures and compositions of the constituent phases in 2024 series Al alloys have been conducted.Partial substitution of alloying elements is found to occur in all the constituent phases,which cause small deviations from the stoichiometric com- positions reported in these ternary compounds.The dominant phase is α-Al_(12)(FeMn)_3Si which has a body center cubic crystal structure with the Im■ space group and a=1.25 nm.The next dominant phase is Cu_2FeAl_7 which has a primitive tetragonal crystal structure with the P4/mnc space group and a=0.6336 nm,c=1.487 nm.The minor phase is α'-Al_(12)Fe_3Si hav- ing α primitive cubic crystal structure with the Pm■ space group and α=1.27 nm.

THE EXPERIMENTAL STUDIES OF NiO CLUSTER FORMATION INNi_3Al ALLOYS BY AP-FIM

The purpose of the present work is to study the NiO cluster formation in Ni3Al alloys by field ion microscope and atom probe (AP-FIM). A polycrystal Ni3Al (B-doped) was heat-treated in atmospheres, the surface adsorption of air (hydrogen, oxygen) moisture etc.) occured on the Ni3Al surface and then these absorbents diffused into the interior of alloy through groin boundaries. AP-FIM studies found that the NiO and AlO clusters appeared in the local regions and amount of NiO clusters is much more than that of AlO. Moreover the hydrogen was simultaneously detected in the identical region.These results provided an experimental evidence that the formation of NiO and AlO clusters is the result of reaction of Ni (or Al) with residual moisture in Ni3Al, i.e. Ni+H2 O→NiO+2H. But the samples of B-free Ni3Al and B-doped single crystal Ni3Al have low concentration of NiO and H. This result shows that the diffusion of H2O molecule was promoted by genie boundaries containing boron. In addition, the boron suppresses environmental emvironmental was discussed, which suggested that the formation of Ni-O bonding has influence on bonding character of Ni-Al atoms and benefits the ductility of alloy.

SUPERPLASTICITY IN LARGE-GRAINED Fe_3Al ALLOYS

The superplasticity behavior of Fe-28Al, Fe-28Al-2Ti, Fe-28Al-4Ti (all composition reported in this paper are in atomic percent) alloys has been investigated by tensile testing.optical microscopy and transmission electron mocroscopy.Tensile test were performed at 700 to 900℃ under a strain rate range of about 10-5/s to 10-2/s. Maximum strain rate sensitivity index m was found to be 0.5 and the largest elongation reached 620%. The flow activation energy was measured to be 263kJ/mol for Fe-28Al and 191kJ/ mol for Fe-28Al-2Ti, which are much lower than the creep activation energy generally observed in Fe3Al alloys. After deformation grain size became much finer from about 100 μm to 20-30μm.As combined with TEM observations, we suggested that a continuous recrystallization process took place and superplasticity may arise from this process.

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.

Assessing efficacy of standard impregnation techniques on die-cast aluminum alloys using X-ray micro-CT

Utilizing lightweight Al alloys in various industrial applications requires achieving precise pressure tightness and leak requirements.Vacuum pressure impregnation(VPI)with thermosetting polymers is commonly used to address leakage defects in die-cast Al alloys.In this study,the efficacy of the VPI technique in sealing alloy parts was investigated using a combination of nondestructive micro X-ray computed tomography(micro XCT)and a standard leak test.The results demonstrate that the commonly used water leak test is insufficient for determining the sealing performance.Instead,micro XCT shows distinct advantages by enabling more comprehensive analysis.It reveals the presence of a low atomic number impregnates sealant within casting defects,which has low grey contrast and allows for visualizing primary leakage paths in 3D.The effective atomic number of impregnated resin is 6.75 and that of Al alloy is 13.69 by dual-energy X-ray CT.This research findings will contribute to enhancing the standard VPI process parameters and the properties of impregnating sealants to improve quality assurance for impregnation in industrial metals.

Synergistic effect of gradient Zn content and multiscale particles on the mechanical properties of Al-Zn-Mg-Cu alloys with coupling distribution of coarse-fine grains

This study investigated the influence of graded Zn content on the evolution of precipitated and iron-rich phases and grain struc-ture of the alloys,designed and developed the Al–8.0Zn–1.5Mg–1.5Cu–0.2Fe(wt%)alloy with high strength and formability.With the increase of Zn content,forming the coupling distribution of multiscale precipitates and iron-rich phases with a reasonable matching ratio and dispersion distribution characteristics is easy.This phenomenon induces the formation of cell-like structures with alternate distribu-tion of coarse and fine grains,and the average plasticity–strain ratio(characterizing the formability)of the pre-aged alloy with a high strength is up to 0.708.Results reveal the evolution and influence mechanisms of multiscale second-phase particles and the corresponding high formability mechanism of the alloys.The developed coupling control process exhibits considerable potential,revealing remarkable improvements in the room temperature formability of high-strength Al–Zn–Mg–Cu alloys.

Mechanism of cryogenic,solid solution and aging compound heat treatment of die-cast Al alloys considering microstructure variation

To develop a new compound heat treatment process for improving the mechanical properties of die-cast Al alloys,this study investigated the effects of cryogenic,solution and aging compound treatment on the microstructure and mechanical properties of die-cast Al alloys.The characterization methods used were optical microscopy(OM),scanning electron microscopy(SEM),transmission electron microscopy(TEM),electron backscatter diffraction(EBSD),and tensile tests;and the Image Pro Plus software was used for statistical analysis.The results indicated that compared with T6 heat treatment,the compound heat treatment process consisting of cryogenic treatment(-196.C for 12 h),solid solution treatment(476.C for 22 min),and aging(159.C for 403 min)significantly enhanced the mechanical properties of the diecast Al alloys.For instance,the tensile strength increased from 224.3 to 249.5 MPa;the hardness increased from HV110.5 to HV 124.6,and the elongation increased from6.28%to 7.72%,which in relative terms corresponds to11.2%,12.8%and 22.9%,respectively.The compound heat treatment process of the alloy led to significant refinement of its a-Al phases.In addition,Si phases tended to be more ellipsoidal or granular,while the tips of Fecontaining phases became rounded,which played a key role in enhancing the mechanical properties and microstructure stability of the alloys.

Migrating behaviors of interfacial elements and oxide layers during diffusion bonding of 6063Al alloys using Zn interlayer in air

The oxide layer on the surface has always been a key obstacle to achieving the diffusion bonding of Al alloys.It is a challenge for performing diffusion bonding without removing oxide layers.Herein,diffusion bonding of Al alloy retaining continuous oxide layers was successfully achieved in the air by a low-temperature and low-pressure diffusion bonding mothed using a Zn interlayer.During the bonding processes,conducted at 360℃ and 3 MPa,Zn diffused into Al through cracks of thin oxide layers to form the joint composed Al/(diffusion layer)/(oxide layer)/(Zn)/(oxide layer)/(diffusion layer)/Al.The diffusion layers were composed of Zn-Al eutectoid,and the oxide layer included nanocrystals and amorphous Al_(2)O_(3).The shear strength of joints containing continuous oxide layers was about 30 MPa.Interestingly,the migration behavior toward the joint center of the interfacial oxide layers was observed with consuming of the Zn interlayer.The cracking phenomenon,the“subcutaneous diffusion”and the migration behavior of oxide layers were verified and analyzed by the diffusion bonding of anodized 6063Al-6063Al.Subsequently,the dynamic migration mechanism of oxide layers with elements diffusion and bonding interface strengths were discussed in detail.The ability to join Al alloys in the air at low temperatures and low pressure suggests a highly practical and economic method for diffusion bonding.

Mechanical properties and interfacial characteristics of 6061 Al alloy plates fabricated by hot-roll bonding

This work aims to investigate the mechanical properties and interfacial characteristics of 6061 Al alloy plates fabricated by hotroll bonding(HRB)based on friction stir welding.The results showed that ultimate tensile strength and total elongation of the hot-rolled and aged joints increased with the packaging vacuum,and the tensile specimens fractured at the matrix after exceeding 1 Pa.Non-equilibrium grain boundaries were formed at the hot-rolled interface,and a large amount of Mg_(2)Si particles were linearly precipitated along the interfacial grain boundaries(IGBs).During subsequent heat treatment,Mg_(2)Si particles dissolved back into the matrix,and Al_(2)O_(3) film remaining at the interface eventually evolved into MgO.In addition,the local IGBs underwent staged elimination during HRB,which facilitated the interface healing due to the fusion of grains at the interface.This process was achieved by the dissociation,emission,and annihilation of dislocations on the IGBs.

Preheating-assisted solid-state friction stir repair of Al-Mg-Si alloy plate at different rotational speeds

Additive friction stir deposition(AFSD)is a novel structural repair and manufacturing technology has become a research hotspot at home and abroad in the past five years.In this work,the microstructural evolution and mechanical performance of the Al-Mg-Si alloy plate repaired by the preheating-assisted AFSD process were investigated.To evaluate the tool rotation speed and substrate preheating for repair quality,the AFSD technique was used to additively repair 5 mm depth blind holes on 6061 aluminum alloy substrates.The results showed that preheat-assisted AFSD repair significantly improved joint bonding and joint strength compared to the control non-preheat substrate condition.Moreover,increasing rotation speed was also beneficial to improve the metallurgical bonding of the interface and avoid volume defects.Under preheating conditions,the UTS and elongation were positively correlated with rotation speed.Under the process parameters of preheated substrate and tool rotation speed of 1000 r/min,defect-free specimens could be obtained accompanied by tensile fracture occurring in the substrate rather than the repaired zone.The UTS and elongation reached the maximum values of 164.2MPa and 13.4%,which are equivalent to 99.4%and 140%of the heated substrate,respectively.