Optimum Alloy Composition Research Articles

Alloys-by-design: A low-modulus titanium alloy for additively manufactured biomedical implants

The performance of many metal biomedical implants – such as fusion cages for spines – is inherently limited by the mismatch of mechanical properties between the metal and the biological bone tissue it promotes. Here, an alloy design approach is used to isolate titanium alloy compositions for biocompatibility which exhibit a modulus of elasticity lower than the Ti-6Al-4V grade commonly employed for this application. Due to the interest in alloys for personalised medicine, additive manufacturability is also considered: compositions with low cracking susceptibility and with propensity for non-planar growth are identified. An optimal alloy composition is selected for selective laser melting, and its processability and mechanical properties tested. Additive manufacturing is used to engineer an heterogeneous microstructure with outstanding combined strength and ductility. Our results confirm the suitability of novel titanium alloys for lowering the stiffness towards that needed whilst being additively manufacturable and strong.

Engineering PtCu nanoparticles for a highly efficient methanol electro-oxidation reaction.

Achieving a highly efficient and durable methanol electro-oxidation catalyst in acid media is critical for the practical utilization of direct methanol fuel cells (DMFCs) at the commercial scale. Herein, we report a facile and effective one-pot strategy for the synthesis of carbon-supported PtCu alloy nanoparticles (PtCu NPs) with a Pt-rich surface, small particle size and uniform dispersion. The as-prepared PtCu NPs with the optimal alloy composition (Pt2Cu) exhibit a significantly improved electrochemical methanol oxidation reaction performance in terms of a high activity, superior CO tolerance and remarkable durability, in contrast to those of commercial Pt/C catalysts in acid media. Particularly, the Pt2Cu/C catalyst exerts a 4.5 times enhancement in the mass activity and a larger If/Ib value compared to those of commercial Pt/C (Pt/Ccomm). The enhanced catalytic activities can be ascribed to the high utilization of Pt and the high index facets of the surface. Also, the addition of Cu downshifts the d-band center of Pt and improves the CO tolerance during the methanol oxidation reaction process. This work provides an efficient strategy for designing desired Pt-based alloys for various catalytic reactions.

Computational design of thermoelectric alloys through optimization of transport and dopability.

Alloying is a common technique to optimize the functional properties of materials for thermoelectrics, photovoltaics, energy storage etc. Designing thermoelectric (TE) alloys is especially challenging because it is a multi-property optimization problem, where the properties that contribute to high TE performance are interdependent. In this work, we develop a computational framework that combines first-principles calculations with alloy and point defect modeling to identify alloy compositions that optimize the electronic, thermal, and defect properties. We apply this framework to design n-type Ba2(1-x)Sr2xCdP2 Zintl thermoelectric alloys. Our predictions of the crystallographic properties such as lattice parameters and site disorder are validated with experiments. To optimize the conduction band electronic structure, we perform band unfolding to sketch the effective band structures of alloys and find a range of compositions that facilitate band convergence and minimize alloy scattering of electrons. We assess the n-type dopability of the alloys by extending the standard approach for computing point defect energetics in ordered structures. Through the application of this framework, we identify an optimal alloy composition range with the desired electronic and thermal transport properties, and n-type dopability. Such a computational framework can also be used to design alloys for other functional applications beyond TE.

Grain characteristics, electrical conductivity, and hardness of Zn-doped Cu\u20133Si alloys system

The grain characteristics, electrical conductivity, hardness, and bulk density of Cu–3Si–(0.1—1 wt%)Zn alloys system fabricated by gravity casting technique were investigated experimentally using optical microscopy (OM), scanning electron microscopy (SEM), and energy dispersive spectroscopy (EDS). The study established the optimal alloy composition and the significance of zinc addition on the tested properties using response surface optimal design (RSOD). The cooled alloy samples underwent normalizing heat treatment at 900 °C for 0.5 h. The average grains size and grains distribution were analyzed using the linear intercept method (ImageJ). The microstructure examination revealed a change in grain characteristics (morphology and size) of the parent alloy by addition of 0.1 wt% zinc. The average grains size of the parent alloy decreased from 12 µm to 7.0 µm after 0.1 wt% zinc addition. This change in grain characteristics led to an increase in the hardness of the parent alloy by 42.2%, after adding 0.1 wt% zinc. The electrical conductivity of the parent alloy decreased from 46.3%IACS to 45.3%IACS, while the density was increased by 8.4% after adding 0.1 wt% zinc. The statistical data confirmed the significance of the change in properties. The result of optimization revealed Cu–3Si–0.233Zn as the optimal alloy composition with optimal properties. The Cu–3Si–xZn alloy demonstrated excellent properties suitable for the fabrication of electrical and automobile components.

Corrosion resistant protective coating of the Zr–Nb–Sn system obtained by high speed cold gas dynamic spraying

The article presents the results of experimental studies on the creation of an optimal alloy composition of the Zr–Nb–Sn system for obtaining corrosion-resistant coatings using the technology of supersonic cold gas-dynamic spraying. Practical recommendations are given on the use of the developed coating in precision engineering products.

The Advancement of 7XXX Series Aluminum Alloys for Aircraft Structures: A Review

7XXX series aluminum alloys (Al 7XXX alloys) are widely used in bearing components, such as aircraft frame, spars and stringers, for their high specific strength, high specific stiffness, high toughness, excellent processing, and welding performance. Therefore, Al 7XXX alloys are the most important structural materials in aviation. In this present review, the development tendency and the main applications of Al 7XXX alloys for aircraft structures are introduced, and the existing problems are simply discussed. Also, the heat treatment processes for improving the properties are compared and analyzed. It is the most important measures that optimizing alloy composition and improving heat treatment process are to enhance the comprehensive properties of Al 7XXX alloys. Among the method, solid solution, quenching, and aging of Al 7XXX alloys are the most significant. We introduce the effects of the three methods on the properties, and forecast the development direction of the properties, compositions, and heat treatments and the solution to the corrosion prediction problem for the next generation of Al 7XXX alloys for aircraft structures. The next generation of Al 7XXX alloys should be higher strength, higher toughness, higher damage tolerance, higher hardenability, and better corrosion resistance. It is urgent requirements to develop or invent new heat treatment regime. We should construct a novel corrosion prediction model for Al 7XXX alloys via confirming the surface corrosion environments and selecting the accurate and reliable electrochemical measurements.

Tip-Enhanced Electric Field: A New Mechanism Promoting Mass Transfer in Oxygen Evolution Reactions.

The slow kinetics of oxygen evolution reaction (OER) causes high power consumption for electrochemical water splitting. Various strategies have been attempted to accelerate the OER rate, but there are few studies on regulating the transport of reactants especially under large current densities when the mass transfer factor dominates the evolution reactions. Herein, Nix Fe1- x alloy nanocones arrays (with ≈2 nm surface NiO/NiFe(OH)2 layer) are adopted to boost the transport of reactants. Finite element analysis suggests that the high-curvature tips can enhance the local electric field, which induces an order of magnitude higher concentration of hydroxide ions (OH- ) at the active sites and promotes intrinsic OER activity by 67% at 1.5 V. Experimental results show that a fabricated NiFe nanocone array electrode, with optimized alloy composition, has a small overpotential of 190 mV at 10 mA cm-2 and 255 mV at 500 mA cm-2 . When calibrated by electrochemical surface area, the nanocones electrode outperforms the state-of-the-art OER electrocatalysts. The positive effect of the tip-enhanced local electric field in promoting mass transfer is also confirmed by comparing samples with different tip curvature radii. It is suggested that this local field enhanced OER kinetics is a generic effect to other OER catalysts.

Application of two-step diffusion couple technique in high-throughput screening of optimal composition and aging temperatures for alloys design: A demonstration in binary Ni-Al system

In this paper, four binary Ni-13.4 at.% Al/Ni-17.7 at.% Al diffusion couples were first prepared and subjected to homogenization at 1573 K for 10,800 s, from which a continuous concentration profile formed. The three diffusion couples were then cooled down for aging at respective temperatures, i.e., 1173, 1123, and 1073 K, for 14400 s. The effect of composition and aging temperature on the aging microstructure was studied in detail by means of different experimental techniques and statistical analysis. The volume fraction, grain size, and shape factor of ?? precipitates in the three diffusion couples were plotted as a function of alloy composition and annealing temperatures. Together with the previously proposed evaluation function in which the phase fraction, grain size, and shape factor of ?? precipitates were chosen as the evaluation indicators, the optimal alloy composition and aging temperature for binary Ni-Al alloys with the best mechanical properties were evaluated, and finally validated by the measured hardness values. The successful demonstration of alloy design in the present binary Ni-Al alloys indicated that the two-step diffusion couple, together with the evaluation function for mechanic properties, should be of generality for high-throughput screening of optimal alloy composition and heat treatment process in different alloys.

Determination of optimal composition of Al-Si precursor alloys in dealloying process on melt fragility

Nanoporous metal materials synthesized by dealloying play a vital role in catalysis, energy sources, sensors and biological monitoring fields. The alloy composition can greatly affect the structure and porosity of dealloyed products. But in many cases, the composition of precursor alloy is optimized by a trial-and-error approach. To determine the optimal composition of Al-Si precursor alloys, we investigated their melt fragility. It is found that Al-Si eutectic alloy possesses not merely the smallest melt fragility, but also the strongest tendency to form honeycomb-like nanoporous Si with large specific surface area. A prediction of the optimal composition of Al-Si precursor alloys is realized by melt fragility. When used as lithium-ion batteries anodes, the honeycomb-like nanoporous Si12 anode delivers a better cycling performance with a higher capacity retention than that of Si7 and Si20 anodes. This strategy allows for prediction of the optimal precursor alloy composition in dealloying.

Effect of cold rolling and annealing on microstructure and properties of a new resource-saving duplex stainless steel Fe–19Cr–0.6Al–12Mn

An Fe–19Cr–0.6Al–12Mn duplex stainless steel with an optimized alloy composition of Ni replaced by Mn and Cr partially replaced by Al was developed to avoid the edge cracking, which is a common defect in the hot rolling of traditional two-phase stainless steels. The newly developed duplex stainless steel could be hot-rolled in the single-phase ferrite (α) region by controlling rolling temperature and the single-phase ferrite microstructure was retained on water cooling. To obtain the two-phase stainless steel product with ferrite and austenite (γ) microstructure, cold rolling and annealing were carried out, and appropriate cold rolling reduction and annealing process parameters were determined. The significant impact of annealing on microstructure, mechanical properties and pitting resistance of the experimental steel was studied. It was observed that with the increase in cold rolling reduction, the number of γ nucleation points was dramatically increased leading to the precipitation of more γ at α grain boundaries after annealing. During annealing at 800 °C and with the increase in annealing time, the austenite fraction was increased with a lower rate and remained almost constant when the annealing time was greater than 4 h. With the increase in annealing temperature, the austenite fraction decreased gradually in the temperature range of 750–860 °C. Good combination of strength, ductility and excellent pitting resistance was obtained by cold rolling to 80% reduction and annealing at 800 °C for 4 h. Grain refinement and the existence of Σ3 boundaries played a vital role in improving the pitting resistance of the experimental steel. With good combination of strength, ductility and corrosion resistance, the newly developed duplex stainless steel is expected to be a new resource-saving dual-phase stainless steel.

The effect of chemical composition and annealing condition on the microstructure and tensile properties of a resource-saving duplex stainless steel

Edge cracking phenomenon occurs in ‘Mn + N′ duplex stainless steels because of inferior thermoplasticity that is mainly induced by the non-uniform deformation between ferrite and austenite phase with different strength during hot rolling, limiting its application. To address this problem, a Fe–19Cr-0.6Al–1Ni–12Mn duplex stainless steel with an optimized alloy composition was trial-prepared, where Ni is substituted by Mn and Cr is partially substituted by Al. This enabled a high content ferrite to be present during hot rolling to reduce the adverse effect of austenite on thermoplasticity. Thus, the edge cracking of hot rolled plates was solved. Furthermore, the formation of austenite was governed by annealing after cold rolling. In view of this, it is significant to study phase transformation and precipitation in duplex stainless steel during annealing. A large number of experimental results indicated that there were two types of transformation during the annealing process: the transformation of ferrite to austenite and recovery and recrystallization of ferrite. After annealing at lower temperature, the austenite was characterized by the banded structure at the grain boundaries of ferrite. Besides, the formation of austenite restricted recrystallization of ferrite. With the increase of annealing temperature, the growth of austenite grain would be enhanced, and the banded austenite evolved into bamboo morphology or island morphology. When the annealing temperature was greater than 900 °C, recrystallization of ferrite was promoted, and transformation of ferrite to austenite was inhibited. However, the precipitation of σ phase increased with the decrease of annealing temperature below 800 °C, reducing plasticity and pitting resistance for the investigated steel.

A first step towards computational design of W-containing self-healing ferritic creep resistant steels

ABSTRACT In this work, we combine a generic alloy-by-design model with a novel concept, the nucleation barrier for the formation of Laves phase to fill the creep cavities, in order to develop multi-component creep resistant steels with kinetically tuned self-healing behaviour. In the model the high-temperature long-term strength is estimated by integrating precipitation strengthening due to M23C6 carbides and solid solution strengthening, while the optimized compositional solutions are determined by employing the coupled thermodynamic and kinetic principles. W-containing Laves phase herein is selected as the self-healing agent to autonomously fill the grain boundary cavities, so as to prolong the creep lifetime. To achieve the effective healing reaction, the nucleation time for Laves precipitates are expected to coincide simultaneously with which creep cavities start to form or reach a healable size. Using experimental data from literature, an empirical relationship to estimate the incubation time for Laves phase formation has been constructed, from which the thermodynamic driving force for onset of precipitation as a function of temperature and intended precipitate nucleation time was derived. Three sample alloys have been selected among the desirable solutions, which are predicted to have the same strength but widely different Laves phase nucleation times. The calculations are also performed for different use temperatures to explore the compatibility between high temperature strength and timely cavity filling behaviour. In its current form the model is not expected to yield the truly optimal composition but to demonstrate how the kinetics of the healing reaction can affect the predicted optimal alloy compositions.

Influence of trace additions of titanium on grain characteristics, conductivity and mechanical properties of copper-silicon-titanium alloys

The main objective of this research is to explore the influence of trace additions of titanium on grain characteristics (morphology and size), conductivity, and mechanical properties of copper-silicon-titanium alloys. The alloys compositions were designed using response surface optimal design (RSOD). The designed alloy compositions were melted, cast, and subjected to normalizing heat treatment at 900 °C for 0.5 hr. The grain characteristics and the elemental constituents of the produced alloys were analyzed using an optical microscope (OM), scanning electron microscopy (SEM), and x-ray fluorescence spectroscopy. The average grain size and distribution were also determined. The properties investigated were percentage elongation, tensile strength, hardness, electrical conductivity, and density. The results were analyzed statistically using analysis of variance (ANOVA) to obtain the significance of titanium content on the tested properties and to generate statistical model equations for future applications. The experimental results were optimized to ascertain the optimal alloy composition and properties. The OM and SEM results revealed a decrease in the average grain size of the parent alloy (Cu–3Si) from ≈10.1 μm to ≈4.4 μm and change in grain morphology after adding titanium, leading to improvement of properties. The results were confirmed to be statistically significant. The optimization results revealed Cu–3Si-0.47wt%Ti as the optimal alloy composition.

Optimisation of heat treatment of Al\u2013Cu\u2013(Mg\u2013Ag) cast alloys

The optimisation of heat treatment parameters for Al–Cu–(Mg–Ag) cast alloys (2xxx) having different microstructural scales was investigated. Thermo-Calc software was used to design optimal alloy compositions. Differential scanning calorimetry (DSC), scanning electron microscopy and wavelength-dispersive spectroscopy technique were employed to determine proper solution heat treatment temperature and homogenisation time as well as incidence of incipient melting. Proper artificial ageing temperature for each alloy was identified using DSC analysis and hardness measurement. Microstructural scale had a pronounced influence on time and temperature required for complete dissolution of Al2Cu and homogenisation of Cu solute atoms in the α-Al matrix. Refined microstructure required only one-step solution treatment and relatively short solution treatment of 10 h to achieve dissolution and homogenisation, while coarser microstructures desired longer time. Addition of Mg to Al–Cu alloys promoted the formation of phases having a rather low melting temperature which demands multi-step solution treatment. Presence of Ag decreases the melting temperature of intermetallics (beside Al2Cu) and improvement in age-hardening response. Peak-aged temperature is primarily affected by the chemical composition rather than the microstructural scale.

Optimal design and characterization of novel biomedical Zr-based alloys for hard tissue substitution

AbstractIn this work, the quadratic regression orthogonal rotation design has been applied to optimize the composition and mechanical properties of a novel biomedical Zr-based alloy system. Combined with the statistical package for the social sciences (SPSS) analysis, a mathematical model is proposed to assess the influence of Cu, Nb and Sn contents on the elastic modulus of the alloy system. The optimal alloy composition can be determined based on the regression modeling. The experimental results exhibit the role of Nb content on mechanical properties of the Zr alloys. It is indicated that the as-cast Zr-4 at.% Cu-1.5 at.% Sn-x at.% Nb (x = 0, 7.5 and 15) alloys are mainly composed of α-Zr and Zr3Cu phases. Nb addition results in the formation of β-Zr and fine uniformly-distributed secondary phase Zr3Cu. The Zr-based alloy system exhibits low elastic modulus (19.55–32.46 GPa), moderate compression strength (1904–1117 MPa), yield strength (543–1078 MPa) and high elastic energy (7.19–18 MJ m–3). The Zr-4 at.% Cu-1.5 at.% Sn-7.5 at.% Nb alloy shows an elastic modulus of 19.55 GPa, which is comparable to that of human bones. These optimized Zr-4 at.% Cu-1.5 at.% Sn-x at.% Nb alloys can be considered as potential candidates for biological hard-tissue substitute materials.

Fe-Sn nanocrystalline films for flexible magnetic sensors with high thermal stability

The interplay of magnetism and spin-orbit coupling on an Fe kagome lattice in Fe3Sn2 crystal produces a unique band structure leading to an order of magnitude larger anomalous Hall effect than in conventional ferromagnetic metals. In this work, we demonstrate that Fe-Sn nanocrystalline films also exhibit a large anomalous Hall effect, being applicable to magnetic sensors that satisfy both high sensitivity and thermal stability. In the films prepared by a co-sputtering technique at room temperature, the partial development of crystalline lattice order appears as nanocrystals of the Fe-Sn kagome layer. The tangent of Hall angle, the ratio of Hall resistivity to longitudinal resistivity, is maximized in the optimal alloy composition of close to Fe3Sn2, implying the possible contribution of the kagome origin even though the films are composed of nanocrystal and amorphous-like domains. These ferromagnetic Fe-Sn films possess great advantages as a Hall sensor over semiconductors in thermal stability owing to the weak temperature dependence of the anomalous Hall responses. Moreover, the room-temperature fabrication enables us to develop a mechanically flexible Hall sensor on an organic substrate. These demonstrations manifest the potential of ferromagnetic kagome metals as untapped reservoir for designing new functional devices.

High-resistive nickel-based alloys for thermo-stable microwires manufactured by high-speed melt quenching

The paper presents results of a development study of optimal alloy composition based on Ni–Cr–Si–B system for the casting of microwires in glass insulation by high-speed quenching. High-resistant microwires manufactured for the developed alloy have low temperature coefficient of resistance (less than 5 10–6K–1) and high linear resistance (more than 1000 kOhm/m) in a wide range of positive and negative temperatures (from –196 to 250°C).

MultOpt++: a fast regression-based model for the constraint violation fraction due to composition uncertainties

MultOpt++ is a an alloy design tool based on numerical optimization. The concept is similar to approaches in the literature termed ‘Alloy by design’ and usually dealing with multi-objective optimization problem resulting in a Pareto front with a set of optimal compositions. Unpreventable scattering of element concentrations during the alloy production process causes property deviations of an optimal alloy composition resulting in unfeasible solutions. The violation fractions of such compositions should be taken into account during the optimization process to be able to determine optimal and feasible alloys. Established models for violation fractions require a high computational effort due to a high number of necessary calculations. In this work, we derive a fast model for the constraint violation fraction based on a regression analysis of the mean variation width of alloy properties. We apply this model to nickel-base superalloy properties predicted with the CALPHAD approach. The model allows to select alloys with a lower violation fraction of targeted constraints.

Effect of wheel speed on phase formation and magnetic properties of (Nd0.4La0.6)-Fe-B melt-spun ribbons

The effect of wheel speed on phase formation and magnetic properties of (Nd0.4La0.6)15Fe77.5B7.5 and (Nd0.4La0.6)13.4Fe79.9B6.7 ribbons prepared by melt-spinning method was investigated experimentally. Based on X-ray diffraction results, all melt-spun ribbons consist of the main phase with the tetragonal 2:14:1 type structure and the minor α-Fe phase. Magnetic measurements show the maximum magnetic energy product ((BH)max) and the remanence (Mr) increases firstly and then decreases with the increase of wheel speed, while the coercivity (Hci) increases, resulting from the variation of the average volume fraction of the α-Fe phase and the average grain size in the melt-spun ribbons. Using Henkel plots, the interaction between the 2:14:1 phase and the α-Fe phase in the melt-spun ribbons was analyzed and the intergranular exchange coupling is manifested. Optimal magnetic properties of Hci = 7.27 kOe, Mr = 90.94 emu/g and (BH)max = 12.10 MGOe are achieved in the (Nd0.4La0.6)15Fe77.5B7.5 ribbon with the wheel speed of 26 m/s. It indicates that magnetic properties of Nd-Fe-B melt-spun ribbons with highly abundant rare earth element La can be improved by optimizing alloy composition and preparation process.

Ductile Cast Iron with High Toughness at Low Temperatures

High life expectancy of cast components and good material performance at dynamic load are a prerequisite to cater for future trends in wind energy generators. To remain competitive in this ever evolving sector challenges reside in alloy development. In this work fractional factorial design has been applied to ferritic ductile iron with varying contents of silicon (1.6‑2 wt%), nickel (0‑1 wt%), cobalt (0‑3 wt%) and copper (0‑0.2 wt%). The minimum criteria the new alloy should meet were a minimum yield strength of 240 MPa and an impact work of minimal 8 J at a temperature of -20 °C for wall thicknesses of 60‑200 mm. To obtain these mechanical properties thick-walled castings with additional insulation were produced to achieve a higher thermic module. They provided the material for test specimens to perform static tensile tests, Charpy impact tests at varying temperatures and a microstructure analysis. With these results, a sweet spot plot has been created. That way, an optimum alloy composition could be found and has been proven by validation experiment.The optimum alloy for thick-walled castings is composed of Si = 1.6 wt%, Cu = 0.2 wt%, Ni = 0 wt% and Co = 0 wt%. It offers an enhancement in yield strength and acceptable impact work at low temperatures for massive castings in as cast state. The heat treated, full ferritic material could even improve these results.