Phase selection rules for complex multi-component alloys with equiatomic or close-to-equiatomic compositions

Alloying greatly expands the amount of available materials beyond the naturally existing ones, and more importantly offers the material scientists opportunities to initiatively control the composition-structure-property relationship in materials. Since commonly used metallic materials are mostly multi-component alloys, the know-how of alloying through compositional control, certainly plays a critical role in designing materials with desired structure and properties. However, alloying in multi-component alloys is an extremely complicated issue, as the alloyed products could be the amorphous phase, various solid solutions and intermetallic compounds containing two or more alloy components. By narrowing down the scope of the multi-component alloys to those with equiatomic or close-to-equiatomic compositions only, and also aiming at framing out the rules that govern the phase selection upon alloying in multi-component alloys in a broad sense, we have identified here a simple and easily executable two-parameter scheme that can effectively predict the formation of the amorphous phase, solid solutions and intermetallic compounds, in multi-component alloys, simply from the given alloy compositions. We believe this scheme reveals a clear physical scenario governing the phase selection in multi-component alloys, helps to simplify the alloy design, and benefits the future development of advanced metallic alloys like bulk metallic glasses and high entropy alloys.

Effect of Melt Superheating Treatment on Directional Solidification Interface Morphology of Multi-component Alloy

The influence of melt superheating treatment on the solid/liquid （S/L） interface morphology of directionally solidified Ni-based superalloy DZ125 is investigated to elucidate the relationship between melt characteristic and S/L interface stability. The results indicate that the interface morphology is not only related to the withdrawal velocity （R） but also to the melt superheating temperature （Ts） when the thermal gradient of solidification interface remains constant for different Ts with appropriate superheating treatment regulation. The interface morphology changes from cell to plane at R of 1.1 μm/s when Ts increases from 1500°C to 1650°C, and maintains plane with further elevated Ts of 1750°C. However, the interface morphology changes from coarse dendrite to cell and then to cellular dendrite at R of 2.25 μm/s when Ts increases from 1500°C to 1650°C and then to 1750°C. It is proved that the solidification onset temperature and the solidification interval undergo the nonlinear variation when Ts increases from 1500°C to 1680°C, and the turning point is 1650°C at which the solidification onset temperature and the solidification interval are all minimum. This indicates that the melt superheating treatment enhances the solidification interface stability and has important effect on the solidification characteristics.

Atomic-scale simulations in multi-component alloys and compounds:A review on advances in interatomic potential

Multi-component alloys have demonstrated excellent performance in various applications,but the vast range of possible compositions and microstructures makes it challenging to identify optimized alloys for specific purposes.To overcome this challenge,large-scale atomic simulation techniques have been widely used for the design and optimization of multi-component alloys.The capability and reliability of large-scale atomic simulations essentially rely on the quality of interatomic potentials that describe the interactions between atoms.This work provides a comprehensive summary of the latest advances in atomic simulation techniques for multi-component alloys.The focus is on interatomic potentials,including both conventional empirical potentials and newly developed machine learning potentials(MLPs).The fitting processes for different types of interatomic potentials applied to multi-component alloys are also discussed.Finally,the challenges and future perspectives in developing MLPs are thoroughly addressed.Overall,this review provides a valuable resource for researchers interested in developing optimized multicomponent alloys using atomic simulation techniques.

A Solute Pinning Approach to Solute Drag in Multi-Component Solid Solution Alloys

The Cahn, Lücke and Stüwe theory remains the backbone of more complex analysis dealing with solute drag, however, the mathematical treatment is rather involved. A new approach based on solute pinning the boundary has therefore recently been suggested, which has the main advantage of a simpler mathematical treatment. In the present paper this approach has been generalized to take into account the influence of different types of solute atoms in the high solute content/low driving force regime.

Effects of V addition on the mechanical properties at elevated temperatures in a γ”-strengthened NiCoCr-based multi-component alloy

Ni Co Cr-based multi-component alloys have drawn much attention due to their exceptional ductility and strain hardening capacity.However,insufficient strength-ductility synergy of NiCoCr alloy has always been an issue that prevents it from extensive applications.According to our previous research,the precipitation ofγ”phase can significantly improve the strength-ductility synergy of this alloy system at room temperature.In this study,the effects of V addition onγ”phase stability and high-temperature mechanical properties have been explicitly investigated.The results indicate that V addition can stabilize the metastableγ”phase in this alloy system and prevent it from transforming into a stableδphase at grain boundaries upon 650℃aging,resulting in improved mechanical properties at elevated temperatures.The specific strength ofγ”-strengthened multi-component NiCoCr-based alloy can reach up to 86.2 MPa gcmat 650℃,which is higher than those of Ni-based superalloys,IN 939 and Waspaloy.This work provides theoretical guidance for the novel design of γ”-strengthened alloy for high-temperature applications.

Effects of hydrogen charging and deformation on tensile properties of a multi-component alloy for nuclear applications

In this study,the influence of hydrogen charging and deformation on the tensile behavior of a 60Fe-12Cr-10Mn-15Cu-3Mo multi-component alloy was investigated using electron microscopy and positron annihilation lifetime spectroscopy.The results show that hydrogen-induced vacancy clusters found in the electrochemically charged hydrogen specimens are responsible for crack initiation.Upon ingress to the microstructure,hydrogen promotes the formation of cell-structured dislocations that are beneficial for the improvement of tensile strength.In addition,hydrogen embrittlement can be mitigated by dislocations that can hinder hydrogen mobility in the deformed specimens.

Phase field modeling for dendritic morphology transition and micro-segregation in multi-component alloys

By using the phase field model for the solidification of multi-component alloys and coupling with real thermodynamic data, the dendritic morphology transition and the dendritic micro-segregation of Ni-Al-Nb ternary alloys are simulated in two cases, i.e., varying the alloy composition at a fixed under-cooling and varying the undercooling at a fixed alloy composition. The simulated results indicate that with the increase of the dimensionless undercooling U (U=ΔT/ΔT0, where ΔT is the undercooling and ΔT0 the temperature interval between the solidus and liquidus), the dendritic morphology transfers from dendritic to globular growth in both cases. As to the dendritic micro-segregation, both cases present a regularity of increasing at first and then decreasing.

LOW TEMPERATURE THERMAL DEBINDING BEHAVIOR OF WAX-BASED MULTI-COMPONENT BINDER FOR TUNGSTEN HEAVY ALLOY

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Research on shell-side heat and mass transfer with multi-component in LNG spiral-wound heat exchanger under sloshing conditions

The spiral-wound heat exchanger(SWHE) is the primary low-temperature heat exchanger for large-scale LNG plants due to its high-pressure resistance, compact structure, and high heat exchange efficiency. This paper studied the shell-side heat and mass transfer characteristics of vapor-liquid two-phase mixed refrigerants in an SWHE by combining a multi-component model in FLUENT software with a customized multicomponent mass transfer model. Besides, the mathematical model under the sloshing condition was obtained through mathematical derivation, and the corresponding UDF code was loaded into FLUENT as the momentum source term. The results under the sloshing conditions were compared with the relevant parameters under the steady-state condition. The shell-side heat and mass transfer characteristics of the SWHE were investigated by adjusting the component ratio and other working conditions. It was found that the sloshing conditions enhance the heat transfer performance and sometimes have insignificant effects. The sloshing condition is beneficial to reduce the flow resistance. The comprehensive performance of multi-component refrigerants has been improved and the improvement is more significant under sloshing conditions, considering both the heat transfer and pressure drop.These results will provide theoretical support for the research and design of multi-component heat and mass transfer enhancement of LNG SWHE under ocean sloshing conditions.

CONSTITUTION OF Al-BASE MULTI-COMPONENT QUASI-CRYSTALLINE ALLOYS

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Thermodynamic database of multi-component Mg alloys and its application to solidification and heat treatment

An overview about one thermodynamic database of multi-component Mg alloys is given in this work.This thermodynamic database includes thermodynamic descriptions for 145 binary systems and 48 ternary systems in 23-component(Mg–Ag–Al–Ca–Ce–Cu–Fe–Gd–K–La–Li–Mn–Na–Nd–Ni–Pr–Si–Sn–Sr–Th–Y–Zn–Zr)system.First,the major computational and experimental tools to establish the thermodynamic database of Mg alloys are briefly described.Subsequently,among the investigated binary and ternary systems,representative binary and ternary systems are shown to demonstrate the major feature of the database.Finally,application of the thermodynamic database to solidification simulation and selection of heat treatment schedule is described.

Simulation of α-Al grain formation in high vacuum die-casting Al-Si-Mg alloys with multi-component quantitative cellular automaton method

Al-Si-Mg alloys are the most commonly used material in high vacuum die-casting(HVDC),in which the morphology and distribution ofα-Al grains have important effect on mechanical properties.A multi-component quantitative cellular automaton(CA)model was developed to simulate the microstructure and microsegregation of HVDC Al-Si-Mg alloys with different Si contents(7%and 10%)and cooling rates during solidification.The grain number and average grain size with electron backscatter diffraction(EBSD)analysis were used to verify the simulation.The relationship between grain size and nucleation order as well as nuclei density was investigated and discussed.It is found that the growth of grains will be restrained in the location with higher nuclei density.The influence of composition and cooling rate on the solute transport reveals that for AlSi7Mg0.3 alloy the concentration of solute Mg in liquid is higher at the beginning of eutectic solidification.The comparison between simulation and experiment results shows that externally solidified crystals(ESCs)have a significant effect for samples with high cooling rate and narrow solidification interval.

Characteristics of multi-component Ml-based hydrogen storage alloys and their hydride electrodes

A series of multi-component M1-based hydrogen storage alloys witha cobalt atomic ratio of 0.40-0.75 were prepared. The electrochemicalproperties under different charge-discharge conditions and PCTcharaceristics measured by electrochemical method were investigated.The addition of other alloying elements for partial substitution ofCo low- ers the hydrogen equilibrium pressure and discharge capacity,but improves the cycling stability and makes the alloys keep nearlythe same rate discharge capability and high-temperature dischargecapability as those of the compared alloy. The reasons werediscussed.

Preparation of FeCoNi medium entropy alloy from Fe^(3+)-Co^(2+)-Ni^(2+)solution system

In recent years,medium entropy alloys have become a research hotspot due to their excellent physical and chemical performances.By controlling reasonable elemental composition and processing parameters,the medium entropy alloys can exhibit similar properties to high entropy alloys and have lower costs.In this paper,a FeCoNi medium entropy alloy precursor was prepared via sol-gel and coprecipitation methods,respectively,and FeCoNi medium entropy alloys were prepared by carbothermal and hydrogen reduction.The phases and magnetic properties of FeCoNi medium entropy alloy were investigated.Results showed that FeCoNi medium entropy alloy was produced by carbothermal and hydrogen reduction at 1500℃.Some carbon was detected in the FeCoNi medium entropy alloy prepared by carbothermal reduction.The alloy prepared by hydrogen reduction was uniform and showed a relatively high purity.Moreover,the hydrogen reduction product exhibited better saturation magnetization and lower coercivity.

Influence of introducing Zr,Ti,Nb and Ce elements on externally solidified crystals and mechanical properties of high-pressure die-casting Al–Si alloy

High pressure die casting(HPDC)AlSi10Mn Mg alloy castings are widely used in the automobile industry.Mg can optimize the mechanical properties of castings through heat treatment,while the release of thermal stress arouses the deformation of large integrated die-castings.Herein,the development of non-heat treatment Al alloys is becoming the hot topic.In addition,HPDC contains externally solidified crystals(ESCs),which are detrimental to the mechanical properties of castings.To achieve high strength and toughness of non-heat treatment die-casting Al-Si alloy,we used AlSi9Mn alloy as matrix with the introduction of Zr,Ti,Nb,and Ce.Their influences on ESCs and mechanical properties were systematically investigated through three-dimensional reconstruction and thermodynamic simulation.Our results reveal that the addition of Ti increased ESCs'size and porosity,while the introduction of Nb refined ESCs and decreased porosity.Meanwhile,large-sized Al_3(Zr,Ti)phases formed and degraded the mechanical properties.Subsequent introduction of Ce resulted in the poisoning effect and reduced mechanical properties.

Effects of the extrusion parameters on microstructure,texture and room temperature mechanical properties of extruded Mg-2.49Nd-1.82Gd-0.2Zn-0.2Zr alloy

Microstructure,texture,and mechanical properties of the extruded Mg-2.49Nd-1.82Gd-0.2Zn-0.2Zr alloy were investigated at different extrusion temperatures(260 and 320℃),extrusion ratios(10:1,15:1,and 30:1),and extrusion speeds(3 and 6 mm/s).The experimental results exhibited that the grain sizes after extrusion were much finer than that of the homogenized alloy,and the second phase showed streamline distribution along the extrusion direction(ED).With extrusion temperature increased from 260 to 320℃,the microstructure,texture,and mechanical properties of alloys changed slightly.The dynamic recrystallization(DRX)degree and grain sizes enhanced as the extrusion ratio increased from 10:1 to 30:1,and the strength gradually decreased but elongation(EL)increased.With the extrusion speed increased from 3 to 6 mm/s,the grain sizes and DRX degree increased significantly,and the samples presented the typical<2111>-<1123>rare-earth(RE)textures.The alloy extruded at 260℃ with extrusion ratio of 10:1 and extrusion speed of 3 mm/s showed the tensile yield strength(TYS)of 213 MPa and EL of 30.6%.After quantitatively analyzing the contribution of strengthening mechanisms,it was found that the grain boundary strengthening and dislocation strengthening played major roles among strengthening contributions.These results provide some guidelines for enlarging the industrial application of extruded Mg-RE alloy.

Study on the hydrogen absorption properties of a YGdTbDyHo rare-earth high-entropy alloy

This study investigated the microstructure and hydrogen absorption properties of a rare-earth high-entropy alloy(HEA),YGdTbDyHo.Results indicated that the YGdTbDyHo alloy had a microstructure of equiaxed grains,with the alloy elements distributed homogeneously.Upon hydrogen absorption,the phase structure of the HEA changed from a solid solution with an hexagonal-close-packed(HCP)structure to a high-entropy hydride with an faced-centered-cubic(FCC)structure without any secondary phase precipitated.The alloy demonstrated a maximum hydrogen storage capacity of 2.33 H/M(hydrogen atom/metal atom)at 723 K,with an enthalpy change(ΔH)of-141.09 kJ·mol^(-1)and an entropy change(ΔS)of-119.14 J·mol^(-1)·K^(-1).The kinetic mechanism of hydrogen absorption was hydride nucleation and growth,with an apparent activation energy(E_(a))of 20.90 kJ·mol^(-1).Without any activation,the YGdTbDyHo alloy could absorb hydrogen quickly(180 s at 923 K)with nearly no incubation period observed.The reason for the obtained value of 2.33 H/M was that the hydrogen atoms occupied both tetrahedral and octahedral interstices.These results demonstrate the potential application of HEAs as a high-capacity hydrogen storage material with a large H/M ratio,which can be used in the deuterium storage field.

AVAILABILITY SIMULATION OF MULTI-COMPONENT SYSTEM BASED ON OPPORTUNISTIC MAINTENANCE POLICY

A multi-component system has the long fixed maintenance time, so the opportunistic maintenance policy is adopted to put preventive replacement and corrective replacement together, so that the long fixed maintenance time can be shared by more than one component, and the system availability can be improved. Then, the generation characteristics of the random failure time are researched based on the replacement maintenance and the minima[ maintenance. Furthermore, by choosing the opportunistic replacement ages of each component as opti- mized variables, a simulation algorithm based on an opportunistic maintenance policy is designed to maximize the total availability. Finally, the simulation result shows the validity of the algorithm by an example.

Thermo-Calc based multi-component micro-segregation model and solidification paths calculations

On the basis of a multi-length scale modeling, a mixture-averaged multi-component/multiphase micro- segregation model was proposed without pre-set function for the micro-scale solute profile. The model explains the effect of morphologies of solidifying phases and solid back diffusion （SBD） on segregation, and covers the two limiting solidification cases of Scheil and Lever-rule models. A commercial Thermo-Calc software package/database was linked to the algorithms via its TQ6-interface for instantaneous determination of the related thermodynamic data of the multi-component alloys. The influences of cooling rate and other parameters on the solidification path and micro-segregation behavior were numerically investigated by sample calculation of the ternary AI-Cu-Mg alloys. A parallel experimental investigation on AI-Cu-Si alloys solidified under different cooling conditions was conducted to validate the theoretical model. Reasonable agreements were gained between the predicted solidification paths and the measured results.