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.

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.

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.

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.

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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2D Q-compensated multi-component elastic Gaussian beam migration

Elastic waves are affected by viscoelasticity during the propagation through the Earth,resulting in energy attenuation and phase distortion,in turn resulting in low seismic imaging accuracy.Therefore,viscoelasticity should be considered in seismic migration imaging.We propose a Q compensated multicomponent elastic Gaussian beam migration(Q-EGBM)method to(1)separate the elastic-wave data into longitudinal(P)and transverse(S)waves to perform PP-wave and PS-wave imaging;(2)recover the amplitude loss caused by attenuation;(3)correct phase distortions caused by dispersion;(4)improve the resolution of migration imaging.In this paper,to accomplish(2),(3),and(4),we derive complex-valued traveltimes in viscoelastic media.The results of numerical experiments using a simple five-layer model and a sophisticated BP gas model show that the method presented here has significant advantages in recovering energy decay and correcting phase distortion,as well as significantly improving imaging resolution.

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

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Optimization of extended warranty cost for multi-component systems with economic dependence based on group maintenance

During extended warranty(EW)period,maintenance events play a key role in controlling the product systems within normal operations.However,the modelling of failure process and maintenance optimization is complicated owing to the complex features of the product system,namely,components of the multi-component system are interdependent with each other in some form.For the purpose of optimizing the EW pricing decision of the multi-component system scientifically and rationally,taking the series multi-component system with economic dependence sold with EW policy as a research object,this paper optimizes the imperfect preventive maintenance(PM)strategy from the standpoint of EW cost.Taking into consideration adjusting the PM moments of the components in the system,a group maintenance model is developed,in which the system is repaired preventively in accordance with a specified PM base interval.In order to compare with the system EW cost before group maintenance,the system EW cost model before group maintenance is developed.Numerical example demonstrates that offering group maintenance programs can reduce EW cost of the system to a great extent,thereby reducing the EW price,which proves to be a win-win strategy to manufacturers and users.

Analysis on the formation principle and present situation of nano phase state of multi-component self-assembly of traditional Chinese compound medicine decoction

Traditional Chinese medicine decoction is a complex polydispersed phase system containing real solution,colloid solution,emulsion and suspension.The compound decoction of traditional Chinese medicine has complex components,including saponins,alkaloids,polysaccharides,flavonoids,amino acids and so on,which can be self-assembled to form gels,fibers,micelles,vesicles and so on.The self-assembled nano-phase not only neutralizes the single drug and reduces the toxicity and side effects,but also has its own pharmacological effects,which complement each other to achieve synergistic effect,so as to achieve the role of drug supplement,which is of research significance.The formation principle,solubilization and synergism principle and characterization method of multi-component self-assembly of traditional Chinese medicine compound decoction are discussed in this paper.

Effects of CH_(4)/CO_(2) multi-component gas on components and properties of tight oil during CO_(2) utilization and storage: Physical experiment and composition numerical simulation

An essential technology of carbon capture, utilization and storage-enhanced oil recovery (CCUS-EOR) for tight oil reservoirs is CO_(2) huff-puff followed by associated produced gas reinjection. In this paper, the effects of multi-component gas on the properties and components of tight oil are studied. First, the core displacement experiments using the CH_(4)/CO_(2) multi-component gas are conducted to determine the oil displacement efficiency under different CO_(2) and CH_(4) ratios. Then, a viscometer and a liquid density balance are used to investigate the change characteristics of oil viscosity and density after multi-component gas displacement with different CO_(2) and CH_(4) ratios. In addition, a laboratory scale numerical model is established to validate the experimental results. Finally, a composition model of multi-stage fractured horizontal well in tight oil reservoir considering nano-confinement effects is established to investigate the effects of multi-component gas on the components of produced dead oil and formation crude oil. The experimental results show that the oil displacement efficiency of multi-component gas displacement is greater than that of single-component gas displacement. The CH_(4) decreases the viscosity and density of light oil, while CO_(2) decreases the viscosity but increases the density. And the numerical simulation results show that CO_(2) extracts more heavy components from the liquid phase into the vapor phase, while CH_(4) extracts more light components from the liquid phase into the vapor phase during cyclic gas injection. The multi-component gas can extract both the light components and the heavy components from oil, and the balanced production of each component can be achieved by using multi-component gas huff-puff.

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.

Effect of hafnium and molybdenum addition on inclusion characteristics in Co-based dual-phase high-entropy alloys

Specific grades of high-entropy alloys(HEAs)can provide opportunities for optimizing properties toward high-temperature applications.In this work,the Co-based HEA with a chemical composition of Co_(47.5)Cr_(30)Fe_(7.5)Mn_(7.5)Ni_(7.5)(at%)was chosen.The refractory metallic elements hafnium(Hf)and molybdenum(Mo)were added in small amounts(1.5at%)because of their well-known positive effects on high-temperature properties.Inclusion characteristics were comprehensively explored by using a two-dimensional cross-sectional method and extracted by using a three-dimensional electrolytic extraction method.The results revealed that the addition of Hf can reduce Al_(2)O_(3)inclusions and lead to the formation of more stable Hf-rich inclusions as the main phase.Mo addition cannot influence the inclusion type but could influence the inclusion characteristics by affecting the physical parameters of the HEA melt.The calculated coagulation coefficient and collision rate of Al_(2)O_(3)inclusions were higher than those of HfO_(2)inclusions,but the inclusion amount played a larger role in the agglomeration behavior of HfO_(2)and Al_(2)O_(3)inclusions.The impurity level and active elements in HEAs were the crucial factors affecting inclusion formation.

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.

Relationship between the unique microstructures and behaviors of high-entropy alloys

High-entropy alloys(HEAs),which were introduced as a pioneering concept in 2004,have captured the keen interest of nu-merous researchers.Entropy,in this context,can be perceived as representing disorder and randomness.By contrast,elemental composi-tions within alloy systems occupy specific structural sites in space,a concept referred to as structure.In accordance with Shannon entropy,structure is analogous to information.Generally,the arrangement of atoms within a material,termed its structure,plays a pivotal role in dictating its properties.In addition to expanding the array of options for alloy composites,HEAs afford ample opportunities for diverse structural designs.The profound influence of distinct structural features on the exceptional behaviors of alloys is underscored by numer-ous examples.These features include remarkably high fracture strength with excellent ductility,antiballistic capability,exceptional radi-ation resistance,and corrosion resistance.In this paper,we delve into various unique material structures and properties while elucidating the intricate relationship between structure and performance.

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.