Structure-controlled slow dynamics in Al−Mg melts

Molecular dynamics simulation was employed to investigate the dynamical and structural properties of Al−Mg melts with the Al concentration systematically changed.The results show that the viscosity of Al67Mg33 abnormally surpasses that of Al85Mg15 below 550 K,inconsistent with the tendency at high temperatures.The evolution of the icosahedral order population is found to account for this dynamic behavior.Structural analysis shows a preferred bonding between Al and Mg atoms in the nearest neighbor shells,while a repelling tendency between them in the second shells,leading to the prepeak emergence in the partial static structure factors.The formation of icosahedral clusters is constrained in the Al-rich compositions because of the lack of sufficient Mg atoms to stabilize the clusters geometrically.These results demonstrate the structural consequence through the interplay between geometric packing and chemical interaction.These findings are crucial to understanding the structure−dynamic properties in Al−Mg melts.

Microstructures,mechanical and oxidation behaviors of C/C composites modified by NiAl alloy

Carbon/carbon composites modified by NiAl alloy were prepared using vacuum reactive melt infiltration methods with NiAl and titanium mixed powders as raw materials. The microstructures were investigated by scanning electron microscopy. The fracture behavior, infiltration and oxidation mechanism were further discussed. The results indicated that NiAl alloy exhibited good wettability on the C/C preform because a TiC reaction layer formed at the interface. Multi-layer（PyC/TiC/NiAl＋TiC） coating evenly and compactly distributed on the surface of the carbon fiber in tubular form. The penetration depth of molten NiAl alloys depended on the reaction between the PyC and titanium. The impact fracture was inclined to along the interface between the NiAl permeability layer and C/C matrix. Al_2TiO_5 and TiO_2 formed on the surface, while the interior multi-layer tubular structure partially remained after oxidation at 1773 K for 30 min.

Microstructure and mechanical properties of cryo-rolled AA6061 Al alloy

The microstructure and mechanical properties of the age hardening AA6061 Al alloy subjected to cryo-rolling（CR） and room temperature rolling（RTR） treatments were investigated. The rolled and aged alloys were analyzed by using DSC, EBSD, TEM, Vickers hardness analysis and tensile test. The results show that the cryo-rolled treatment has an effect on the precipitation sequence of AA6061 Al alloy. The ultrafine grain structures are formed to promote the fine second phase particles to disperse in the aluminum matrix after the peak aging, which is attributed to lots of dislocations tangled in the rolling process. Therefore, the strength and ductility of AA6061 Al alloy are simultaneously modified after the cryo-rolling and aging treatment compared with room temperature rolled one.

REHEATING TEMPERATURE CONTRAST AND MICROSTRUCTURES OF 7075 Al ALLOY CAST BY LIQUIDUS SEMI-CONTINUOUS CASTING

In this study, reheating of liquidus semi-continuous cast billets of 7075 Al alloy was carried out in a resistance furnace, and the temperature contrast of the outer and the center of the reheated billets was investigated, then the reheating microstructures were investigated. Results show that: the difference of temperature between the outer and center is small and the difference of their microstructures are also small. During reheating at 576℃ the spheroidization of grains is significant after 5min and no rosettes are visible after 20min by optical microscopy. Similar observations were madeon materials reheated at 596℃, but the ripening process is faster. The grains growup to 30-60μm, fine enough for thixoforming.

First-principles investigation on stability and electronic structure of Sc-dopedθ′/Al interface in Al−Cu alloys

The properties of Sc-dopedθ′(Al_(2)Cu)/Al interface in Al−Cu alloys were investigated by first-principles calculations.Sc-doped semi-coherent and coherentθ′(Al_(2)Cu)/Al interfaces(Sc doped in Al slab(S1 site),Sc doped inθ′slab(S2 site))were modeled based on calculated results and reported experiments.Through the analysis of interfacial bonding strength,it is revealed that the doping of Sc at S1 site can significantly decrease the interface energy and increase the work of adhesion.In particular,the doped coherent interface with Sc at S1 site which is occupied by interstitial Cu atoms has very good bonding strength.The electronic structure shows the strong Al—Cu bonds at the interfaces with Sc at S1 site,and the Al—Al bonds at the interfaces with Sc at S2 site are formed.The formation of strong Al—Cu and Al—Al bonds plays an important role in the enhancement of doped interface strength.

Grain structure and tensile property of Al-Li alloy sheet caused by different cold rolling reduction

The effect of cold rolling reduction(50%-90%)on the grain structures of solutionized 1445 Al-Li alloy sheet at525-575 ℃ was investigated through electron backscatter diffraction(EBSD).Although the solutionization temperature is elevated to 575 ℃,the sheet is not completely recrystallized.The main recrystallization model is subgrain coalescence and growth,and the non-recrystallization is due to the formed nano-sized Al3(Sc,Zr)dispersoids,which pin the grain boundaries,subgrain boundaries and dislocations.With increasing the cold rolling reduction,the fraction and size of the recrystallized grains in the sheet solutionized at525 ℃ are decreased,but the fraction of the subgrains is increased,leading to a decrease in the fraction of the deformed structures.Meanwhile,the number fraction of high-angle boundaries(HABs)is increased.Due to the decreased fraction of the deformed structures and increased fraction of the HABs,the T8-aged 1445 Al-Li alloy sheet displays a decrease trend in the strength and heterogeneity with increasing the cold rolling reduction.At higher solutionization temperature of 575 ℃,the fraction of the recrystallized grains and their size are obviously increased.

Microstructures and mechanical properties of BP/7A04 Al matrix composites

The microstructures and interface structures of basalt particle reinforced 7A04 Al matrix composites (BP/7A04 Al) were analyzed by using OM, TEM, SEM and EDS, and the mechanical properties of 7A04 Al alloy were compared with those of BP/7A04 Al matrix composites. The results show that the basalt particles are dispersed in the Al matrix and form a strong bonding interface with the Al matrix. SiO2 at the edge of the basalt particles is continuously replaced by Al2O3 formed in the reaction, forming a high-temperature reaction layer with a thickness of several tens of nanometers, and Al2O3 strengthens the bonding interface between basalt particles and Al matrix. The dispersed basalt particles promote the dislocation multiplication, vacancy formation and precipitation of the matrix, and the precipitated phases mainly consist of plate-like η(MgZn2) phase and bright white band-shaped or ellipsoidal T (Al2Mg3Zn3) phase. The bonding interface, high dislocation density and dispersion strengthening phase significantly improve the mechanical properties of the composites. The yield strength and ultimate tensile strength of BP/7A04 Al matrix composites are up to 665 and 699 MPa, which increase by 11.4% and 10.9% respectively compared with 7A04 Al alloy without basalt particles.

ONE-CELL-STATE METHOD FOR DETERMINATION OF ELECTRONIC STRUCTURE OF INTERMETALLIC COMPOUNDS

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Preparation of micro/nano-structured ceramic coatings on Ti6Al4V alloy by plasma electrolytic oxidation process

In order to improve the osseointegration and antibacterial activity of titanium alloys,micro/nano-structured ceramic coatings doped with antibacterial element F were prepared by plasma electrolytic oxidation(PEO)process on Ti6Al4V alloy in NaF electrolyte.The influence of NaF concentration(0.15-0.50 mol/L)on the PEO process,microstructure,phase composition,corrosion resistance and thickness of the coatings was investigated using scanning/transmission electron microscopy,energy dispersive spectroscopy,atomic force microscopy,X-ray diffractometer,and potentiodynamic polarization.The results demonstrated that Ti6Al4V alloy had low PEO voltage(less than 200 V)in NaF electrolyte,which decreased further as the NaF concentration increased.A micro/nano-structured coating with 10-15μm pits and 200-800 nm pores was formed in NaF electrolyte;the morphology was different from the typical pancake structure obtained with other electrolytes.The coating formed in NaF electrolyte had low surface roughness and was thin(<4μm).The NaF concentration had a small effect on the phase transition from metastable anatase phase to stable rutile phase,but greatly affected the corrosion resistance.In general,as the NaF concentration increased,the surface roughness,phase(anatase and rutile)contents,corrosion resistance,and thickness of the coating first increased and then decreased,reaching the maximum values at 0.25 mol/L NaF.

Rearrangement on surface structures by boride to enhanced cycle stability for LiNi0.80Co0.15Al0.05O2 cathode in lithium ion batteries

The side reaction between the active material and liquid-electrolyte cause structural damage and particle pulverization is one of the important factors leading to the capacity decay of LiNi0.80Co0.15Al0.05O2(NCA)materials in Li ion batteries(LIBs).Surface modification is an effective strategy for NCA cathodes,which could alleviate the degradation associated with surface processes.Herein,a surface structure rearrangement of NCA cathode secondary particles was reported by in-situ forming a solid electrolyte LiBO2.The LiBO2 is beneficial for alleviating the stress during charge/discharge process,thereby slowing down the rate of cracks formation in the secondary particles,which facilitates the Li+de-intercalation as well as prevents penetration of the liquid-electrolyte into the interior of the particles.As a result,the surface structure rearrangement NCA(RS-NCA)delivers a high discharge capacity of 202.5 m Ah g^-1 at 0.1 C,and exhibits excellent cycle stability with discharge capacity retaining 148 m Ah g^-1 after 200 cycles at 2 C.This surface structure rearrangement approach provides a new viewpoint in designing high-performance high-voltage LIBs.

Effect of quenching condition on micro inhomogeneous structure of Al-Fe-Ce amorphous alloy

The microstructures of liquid and amorphous Al 90 Fe 5Ce 5 alloys were studied by X ray diffraction (XRD), and the crystalline behavior of the amorphous alloy was also investigated by differential scanning calorimetry (DSC). The distinct pre peaks were found on the structure factors of the liquid and amorphous alloys. The quenching temperature affects the pre peak area, but does not affect its position. The reduction of quenching temperature decreases the crystallization temperature and the activation energy of the Al Fe Ce amorphous alloy. Quenched from 1 050 ℃, a novel structure with a fine dispersion of Al nanophase particles homogeneously distributed in the amorphous matrix was obtained. And the sensitivity of the Al Fe Ce amorphous alloy to the quenching temperature reflects the micro inhomogeneity of the melt.

Corrosion behaviour of PEEK or β-TCP-impregnated Ti6Al4V SLM structures targeting biomedical applications

Ti6Al4V cellular structures were produced by selective laser melting(SLM)and then filled either with beta-tricalcium phosphate(β-TCP)or PEEK(poly-ether-ether-ketone)through powder metallurgy techniques,to improve osteoconductivity and wear resistance.The corrosion behavior of these structures was explored considering its importance for the long-term performance of implants.Results revealed that the incorporation of open cellular pores induced higher electrochemical kinetics when being compared with dense structures.The impregnation ofβ-TCP and PEEK led to the creation of voids or gaps between the metallic matrix and the impregnated material which also influenced the corrosion behavior of the cellular structures.

Atomic structure and transition properties of H-like Al in hot and dense plasmas

The atomic structure and transition properties of H-like Al embedded in hot and dense plasmas are investigated using modified GRASP2 K code. The plasma screening effect on the nucleus is described using the self-consistent field ion sphere model. The effective nuclear potential decreases much more quickly with increasing average free electron density,but increases slightly with increasing electron temperature. The variations of the transition energies, transition probabilities,and oscillator strengths with the free electron density and electron temperature are the same as that of the effective nuclear potential. The results reported in this work agree well with other available theoretical results and are useful for plasma diagnostics.

Studies on the Structure and Properties of Multiphase Al_2O_3 Abrasion-resistant Ceramics

The Al2O3 abrasion-resistant ceramics is successfully prepared by using waste aluminum sludge as the main raw material with the addition of a little clay, talc and barium carbonate. The crystal structure and microstructure of ceramic are characterized by means of XRD, SEM, etc., and the physical and mechanical properties are also tested. The results show that besides the phase of corundum, a little mullite, Mg-Al spinel and hyalophane phases also exist in the product. These phases are produced via reaction in-situ, which can inhibit the overgrowth of Al2O3 grain in grain boundary, and improve the integral property of the material.

Electronic Structure and Chemical Bond of Ti_3SiC_2 and Adding Al Element

The relation among electronic structure, chemical bond and property of Ti3SiC2 and Al-doped was studied by density function and discrete variation （ DFT- DVM） method. When Al element is added into Ti3 SiC2 , there is a less difference of ionic bond, which does not play a leading role to influent the properties. After adding Al, the covalent bond of Al and the near Ti becomes somewhat weaker, but the covalent bond of Al and the Si in the same layer is obviously stronger than that of Si and Si before adding. Therefore, in preparation of Ti3 SiC2 , adding a proper quantity of Al can promote the formation of Ti3 SiC2 . The density of stnte shows that there is a mixed conductor character in both of Ti3 SiC2 and adding Al element. Ti3 SiC2 is with more tendencies to form a semiconductor. The total density of state near Fermi lever after adding Al is larger than that before adding, so the electric conductivity may increase after adding Al.

Structure of the Intermetallic Compound Ni_3Al Synthesized under Compression of the Powder Mixture of Pure Elements Part Ⅰ: Phase Composition and Microstructure of Main Phase

It was shown by TEM and X-ray analysis that there are four types of grains of the main Ni3Al phase in the structure of the intermetallic obtained by the self-propagation high temperature method (SHS). Every type of grains has its own domain and dislocation structure. There are mono- and polydomains with and without dislocations. The grains of the main phase of monoand polydomains without dislocations and polydomains with dislocations were formed by diffusion in the solid phase. In these conditions NiAl3 phase is located on the grain boundary of the main phase. The Ni2Al3 phase is located at the triple joints of the main phase.

Structure distortion, optical and electrical properties of ZnO thin films co-doped with Al and Sb by sol-gel spin coating

ZnO thin films co-doped with A1 and Sb with different concentrations and a fixed molar ratio of AlCl3 to SbCl3 at 1：2, are prepared by a sol-gel spin-coating method on glass annealed at 550 ℃ for 2 h in air. The x-ray diffraction results confirm that the ZnO thin films co-doped with Al distortion, and the biaxial stresses are 1.03× 10^8. 3.26× 10^8 and Sb are of wurtzite hexagonal ZnO with a very small 5.23 × 10^8, and 6.97× 10^8 Pa, corresponding to those of the ZnO thin films co-doped with Al and Sb in concentrations of 1.5, 3.0, 4.5, 6.0 at% respectively. The optical properties reveal that the ZnO thin films co-doped with Al and Sb have obviously enhanced transmittance in the visible region. The electrical properties show that ZnO thin film co-doped with Al and Sb in a concentration of 1.5 at% has a lowest resistivity of 2.5 Ω·cm.

Microstructure and mechanical properties of Cu/Al joints brazed using(Cu,Ni,Zr,Er)-modified Al−Si filler alloys

To design a promising Al−Si filler alloy with a relatively low melting-point,good strength and plasticity for the Cu/Al joint,the Cu,Ni,Zr and Er elements were innovatively added to modify the traditional Al−Si eutectic filler.The microstructure and mechanical properties of filler alloys and Cu/Al joints were investigated.The result indicated that the Al−Si−Ni−Cu filler alloys mainly consisted of Al(s,s),Al_(2)(Cu,Ni)and Si(s,s).The Al−10Si−2Ni−6Cu filler alloy exhibited relatively low solidus(521℃)and liquidus(577℃)temperature,good tensile strength(305.8 MPa)and fracture elongation(8.5%).The corresponding Cu/Al joint brazed using Al−10Si−2Ni−6Cu filler was mainly composed of Al_(8)(Mn,Fe)_(2)Si,Al_(2)(Cu,Ni)3,Al(Cu,Ni),Al_(2)(Cu,Ni)and Al(s,s),yielding a shear strength of(90.3±10.7)MPa.The joint strength was further improved to(94.6±2.5)MPa when the joint was brazed using the Al−10Si−2Ni−6Cu−0.2Er−0.2Zr filler alloy.Consequently,the(Cu,Ni,Zr,Er)-modified Al−Si filler alloy was suitable for obtaining high-quality Cu/Al brazed joints.

Effect of mischmetal and yttrium on microstructures and mechanical properties of Mg-Al alloy

The effect of yttrium and mischmetal(MMs) on the as-cast and solid solution treated structures of Mg-Al alloys with different Al-contents was investigated. The results show that the MMs in Mg-Al alloy existed in rod Al 4(Ce, La)compound while Y in Mg-Al alloy in polygonal Al 2Y compound. The amount of Mg 17Al 12 in Mg-Al alloy is decreased with increasing Y or MMs addition, and Mg 17Al 12 intermetallic compound is changed from continuous network to discontinuous one. The Al 4(Ce, La) and Al 2Y compounds are not dissolved into Mg-Al alloy matrix during solid solution treatment so that their high heat stability can be exhibited. The experiment of mechanical properties indicate that elongation and impact toughness of the Mg-Al-Y alloy with polygonal Al 2Y compound are higher than those of Mg-Al-MMs alloy with rod Al 4(Ce, La) compound.

ELECTRONIC STRUCTURE OF γ'-PHASE IN SUPERALLOY CONTAINING Mg AND W

The calculation of electronic structure of γ'-Ni_3Al phase with or without Mg and W by the Recursion and LCAO methods clarified that Mg and W atoms lose their outer electrons par- tially after they entered γ'-Ni_3Al.It causes the reduction of the radii of the atoms.So it is preferable for Mg atom to enter γ'-phase by the substitution.The interaction between Mg and γ'-phase matrix may be strengthened and a more stable structure of γ'-phase may be formed while Mg and W entered γ'-Ni_3Al simultaneously.