Molecular Dynamics Simulations of Displacement Cascade in Ni-Based Concentrated Solid Solution Alloys

Single-phase concentrated solid solution alloys(SP-CSAs),including high-entropy alloys,have received extensive attention due to their excellent irradiation resistance.In this work,displacement cascade simulations are conducted using the molecular dynamics method to study the evolution of defects in Ni-based SP-CSAs.Compared with pure Ni,the NiCr,NiCo,and NiCu alloys exhibit a larger number of Frankel pairs(FPs)in the thermal peak stage,but a smaller number of surviving FPs.However,the NiFe alloy displays the opposite phenomenon.To explain these different observations for NiFe and other alloys,the formation energy and migration energy of interstitials/vacancies are calculated.In the NiFe alloy,both the formation energy and migration energy barrier are higher.On the other hand,in NiCr and other alloys,the formation energy of interstitials/vacancies is lower,as is the migration energy barrier of interstitials.The energy analysis agrees well with previous observations.The present work provides new insights into the mechanism behind the irradiation resistance of binary Ni-based SP-CSAs.

Mossbauer Spectroscopic Studies on a Supersaturated Solid Solution of Fe-Cu Formed by Mechanical Alloying

Mechanical alloying (MA) was employed to produce supersaturated solid solutions of Fe1-xCux,which is virtually immiscible under an equilibrium condition at ambjent temperature. The X-ray diffraction results show that the solutions formed in the concentration ranges of x≤0.1 5 and x≥0.40 are of bcc structure of iron and fcc structure of copper. respectively. For the region in between.however, the alloy obtained is a mixture of bcc plus fcc phases. The Mossbauer spectrum of the solid solution of a single phase could be fitted by two sub-spectra with hyperfine magnetic fields of 200 and 250 kOe. respectively. suggesting that there must exist two forms of coordination in the solution. While to fit the spectrum for the solution with mixed structu re. three Sub-spectra. including a spectrum of α-Fe, should be used. The variation of the Mossbauer spectra of Fe60Cu40 with milling time as well as annealing temperature was systematically studied. This may be ascribed to the changes of the number of nearest neighboring atoms of iron in the processes of formation and decomposition of the solid solution during milling and annealing

Improvement in mechanical properties of hypereutectic Al-Si-Cu alloys through sonosolidified slurry

For the wider applications,it is necessary to improve the ductility as well as the strength and wear-resistance of hypereutectic AlSi-Cu alloys,which are typical light-weight wear-resistant materials.An increase in the amounts of primary silicon particles causes the modified wear-resistance of hypereutectic Al-Si-Cu alloys,but leads to the poor strength and ductility.It is known that dual phase steels composed of hetero-structure have succeeded in bringing contradictory mechanical properties of high strength and ductility concurrently.In order to apply the idea of hetero-structure to hypereutectic Al-Si-Cu alloys for the achievement of high strength and ductility along with wear resistance,ultrasonic irradiation of the molten metal during the solidification,which is called sono-solidification,was carried out from its molten state to just above the eutectic temperature.The sono-solidified Al-17Si-4Cu alloy is composed of hetero-structure,which are,hard primary silicon particles,soft non-equilibrium a-Al phase and the eutectic region.Rheo-casting was performed at just above the eutectic temperature with sono-solidified slurry to shape a disk specimen.After the rheo-casting with modified sonosolidified slurry held for 45 s at 570 oC,the quantitative optical microscope observation exhibits that the microstructure is composed of 18area%of hard primary silicon particles and 57area%of soft a-Al phase.In contrast,there exist only 5 area%of primary silicon particles and no a-Al phase in rheo-cast specimen with normally solidified slurry.Hence the tensile tests of T6 treated rheo-cast specimens with modified sono-solidified slurry exhibit improved strength and 5%of elongation,regardless of having more than 3 times higher amounts of primary silicon particles compared to that of rheo-cast specimen with normally solidified slurry.

Studies on Lattice Parameter,Molar Volume and Excess Molar Volume of Pb-based a-phase Solid Solution in Pb-Sn-Cd Ternary System

The lattice parameters a and the molar volumes Km of Pb-based a-phase solid solutions in the Pb-Sn-Cd ternary system were determined by means of X-ray diffraction. The lattice parameters a vary linearly with the molar fractions, the molar volumes show a positive deviation from the ideal solution behaviour, and the contribution of the solute Cd to the excess molar volumes V is much larger than that of the solute Sn. According to Vegard' s law orsub-regular solution model, the relationship between the experimental data of a or Vm andthe compositions of alloy is obtained by the mathematic regressive method, the prediction precisions of the both formulae are within the limits of experiment error.

Effect of Cerium on Microstructure and Electrochemical Performance of Ti-V-Cr-Ni Electrode Alloy

Effect of cerium on the microstructure and electrochemical performance of the Ti0.25V0.35-xCexCr0.1Ni0.3（x=0,0.005）electrode alloy was investigated by X-ray diffraction（XRD）,field emission scanning electron microscopy/energy dispersive X-ray spectrometry（FESEM-EDS）,and electrochemical impedance spectroscopy（EIS）measurements.On the basis of XRD and FESEM-EDS analysis,the alloy was mainly composed of V-based solid solution with body-centered-cubic structure and TiNi-based secondary phase.Ce did not exist in two phases,instead,it existed as Ce-rich small white particles,with irregular edges,distributed near the grain boundaries of the V-based solid solution phase.Discharge capacity,cycle stability,and high-rate discharge ability of the alloy electrode were effectively improved with the addition of Ce at 293 K.It was very surprising that the charge retention was abnormal with larger discharge capacity after standing at the open circuit for 24 h.EIS indicated that addition of Ce improved the dynamic performance,which caused the charge transfer resistance（RT）to decrease and exchange current density（I0）to increase markedly.The exchange current density of the electrochemical reaction on the alloy surface with Ce addition was about 2.07 and 3.10 times larger than that of the alloy without Ce at 303 and 343 K,respectively.The diffusion coefficient of hydrogen（D）in the bulk alloy electrode decreased with addition of Ce,but it did not decrease so much,and the apparent activation energy（△rH）was far higher than that of the AB5 type alloy.

Strength Improvement in ZK60 Magnesium Alloy Induced by Pre-deformation and Heat Treatment

The influence of pre-deformation and heat treatment on mechanicalproperties of as-extruded ZK60 alloy was investigated.The experimentalresults indicated that the solid solution,pre-cold rolling and artificialaging treatments remarkably improved the mechanicalstrength of alloys compared with the asextruded condition.Especially,pre-cold rolling in 5% reduction combined with artificialaging at 150 ℃ for 20 h was determined as the optimum heat treatment condition,which resulted in a yield strength of 333 MPa with an increment of 87 MPa and ultimate tensile strength of 373 MPa.High density of nanoscale precipitates in α-Mg matrix observed in this sample was beneficialto enhancing the strength.The as-extruded sample showed a typicalbrittle fracture while the solution treated sample exhibited ductile-fragile failure characterized by cleavage fractures,river patterns,and tear ridges.And the sample after pre-cold rolling combined with aging presented more equiaxialdimples with a great amount of cracked particles in them.The above-mentioned observations were analyzed in terms of microstructure and possible strengthening mechanism in the extruded ZK60 alloy.

Mechanical behaviors of NiAl-Cr(Mo)-based near eutectic alloy with Ti, Hf, Nb and W additions

Effects of Ti, Hf, Nb and W alloying elements addition on the microstructure and the mechanical behaviors of NiAl-Cr（Mo） intermetallic alloy were investigated by means of XRD, SEM, EDX and compression tests. The results show that Ni-31Al-30Cr-4Mo-2（Ti, Hf, Nb, W） alloy consists of four phases： NiAl, ？？Cr solid solution, Cr2Nb and Ni2Al（Ti, Hf）. The mechanical properties are improved significantly compared with the base alloy. The compression yield strength at 1 373 K is 467 MPa and the room temperature compression ductility is 17.87% under the strain rate of 5.56？？0-3 s-1, due to the existence of Cr2Nb and Ni2Al（Ti, Hf） phases for strengthening and Ti solid solution in NiAl matrix and coarse Cr（Mo, W） solid solution phase at cellular boundaries for ductility. The elevated temperature compression deformation behavior of the alloy can be properly described by power-law equation： ε=0.898 σ8.47exp[-615/（RT）].

Study on solid solution and aging process of AZ91D magnesium alloy with cerium

The influence of Ce on solid solution and aging process of AZ91D magnesium alloy was analyzed. The results showed that the decomposition of β-Mg17Al12 phase in AZ91D magnesium alloy at 420 °C could be completed within 12 h, while this process in the Ce-containing alloy required more time. In subsequent aging process at 175 °C, Ce obviously delayed the aging process of AZ91D. It was inferred that the influence of Ce on process of solid solution and aging was relative to the Ce that existed in β-Mg17Al12 phase of original structure in the form of solid solution, and the interaction of the Ce and Al was an important factor to get process of solution and aging slowly.

Effect of lattice distortion on solid solution strengthening of BCC high-entropy alloys

An analytical model is established to study the influence of lattice distortion and fraction of Hf on the yield strength of the BCC TiNbTaZrHfx multi-component high entropy alloys （HEAs）. Meanwhile, the mechanism of solid solution strengthening caused by lattice distortion is also discussed in the HEA. The distorted unit cell is introduced to indicate the lattice distortion effects induced by the differences of the atomic size and shear modulus by doping other elements in Ti-based metal. The results show that the calculated values of the alloying yield strength considering the path of least resistance are obtained with regard to various grain sizes for the equiatomic TiNbTaZrHf HEA, which is well in line with the experimental results. Furthermore, it is predicted that the alloying yield strength is the largest value in the case of the same grain size for the Hf atomic fraction of 0.122. The meaningful modeling could provide a theoretical method to investigate the yield strength and alloying design of other BCC HEAs in the future.

Stability of supersaturated solid solution of quenched Al–X(X 5 Zn, Mg, Cu) binary alloys

In this study, the changing trend of crystal-lattice constant and the influential factors of the stability of supersaturated solid solutions with various alloying additions in the Al–X（Zn, Mg, Cu） binary alloys were investigated. The samples were analyzed using X-ray diffraction（XRD）,X-ray absorption fine structure（XAFS）, and scanning electron microscope（SEM）. It is found that the addition of Cu causes the largest change of crystal-lattice constant of the Al–xCu supersaturated solid solution binary alloy. The most dramatic change occurs in the initial stage of Cu addition.The change is stabilized thereafter. Also, at the same alloying element addition to the Al–X（X = Zn, Mg, Cu）binary alloys, the Al–xCu is the most unstable system.Influential factors of the stability include the lattice constant change and the type of alloying element. The larger the lattice constant changes, the more unstable the supersaturated solid solution is. The alloying element, easy to aggregate, often leads to the solid solution less stable.

Formic acid dehydrogenation reaction on high-performance Pd_(x)Au_(1−x) alloy nanoparticles prepared by the eco-friendly slow synthesis methodology

Dehydrogenation of formic acid (FA) is considered to be an effective solution for efficient storage and transport of hydrogen. For decades, highly effective catalysts for this purpose have been widely investigated, but numerous challenges remain. Herein, the Pd_(x)Au_(1−x) (x = 0, 0.2, 0.4, 0.5, 0.6, 0.8, 1) alloys over the whole composition range were successfully prepared and used to catalyze FA hydrogen production efficiently near room temperature. Small PdAu nanoparticles (5–10 nm) were well-dispersed and supported on the activated carbon to form PdAu solid solution alloys via the eco-friendly slow synthesis methodology. The physicochemical properties of the PdAu alloys were comprehensively studied by utilizing various measurement methods, such as X-ray diffraction (XRD), N2 adsorption–desorption, high angle annular dark field-scanning transmission electron microscope (HAADF-STEM), X-ray photoelectrons spectroscopy (XPS). Notably, owing to the strong metal-support interaction (SMSI) and electron transfer between active metal Au and Pd, the Pd0.5Au0.5 obtained exhibits a turnover frequency (TOF) value of up to 1648 h−1 (313 K, nPd+Au/nFA = 0.01, nHCOOH/nHCOONa = 1:3) with a high activity, selectivity, and reusability in the FA dehydrogenation.

Thermodynamic Characteristic and Phase Evolution in Immiscible Cr–Mo Binary Alloys

This paper systematically reports the thermodynamic characteristic and phase evolution of immiscible Cr–Mo binary alloy during mechanical alloying（MA） process. The Cr–35Mo（in at%） powder mixture was milled at 243 and258 K, respectively, for different time. For comparative study, Cr–15Mo and Cr–62Mo powder mixtures were milled at 243 K for 18 h. Solid solution Cr（Mo） with body-centered cubic（bcc） crystal structure and amorphous Cr（Mo） alloy was obtained during MA process caused by high-energy ball milling. Based on the Miedema＇s model, the free-energy change for forming either a solid solution or an amorphous in Cr–Mo alloy system is positive but small at a temperature range between 200 and 300 K. The thermodynamical barrier for forming alloy in Cr–Mo system can be overcome when MA occurs at 243 K, and the supersaturated solid solution crystal nuclei with bcc structure form continually, and three supersaturated solid solutions of Cr–62Mo, Cr–35Mo and Cr–15Mo formed. Milling the Cr–35Mo powder mixture at 258 K, the solid solution Cr（Mo） forms firstly, and then the solid solution Cr（Mo） transforms into the amorphous Cr（Mo）alloy with a few of nanocrystallines when milling is prolonged. At higher milling temperature, it is favorable for the formation of the amorphous phase, as indicated by the thermodynamical calculation for immiscible Cr–Mo alloy system.

Charting the ‘composition–strength’ space for novel austenitic,martensitic and ferritic creep resistant steels

We report results of a large computational ＇alloy by design＇ study, in which the ＇chemical composition-mechanical strength＇ space is explored for austenitic, ferritic and martensitic creep resistant steels. The approach used allows simultaneously optimization of alloy composition and processing parameters based on the integration of thermodynamic, thermo-kinetics and a genetic algorithm optimization route. The nature of the optimisation depends on both the intended matrix（ferritic, martensitic or austenitic） and the desired precipitation family. The models are validated by analysing reported strengths of existing steels. All newly designed alloys are predicted to outperform existing high end reference grades.