Six different types of Majiang bronze drums from Hechi City, Guangxi, China were collected from the Guangxi Museum to characterize the original scheme of polychromy and materials used for the drums. The composition of all the samples were determined by using scanning electron microscopy with energy-dispersive X-ray spectroscopy. All the bronze drums contain mainly Cu, Sn, Pb, and As. Qualitative analysis of the structure by X-ray powder diffraction indicates that each of the six bronze drums contains four or five phases, namely (Cu, As), Pb, Cu3Sn, and Cu10Sn3 or Cu, Pb, As0.2Cu1.8, Cu3Sn, and Cu10Sn3. The Rietveld structural refinement is performed first time for the quantitative analysis of ancient bronze drums and inorganic cultural relics. This paper reports the result.

High-temperature differential scanning calorimetry was used to understand the thermal properties of Si-rich metal–silicon alloys. Insoluble metals (A and B) were found to produce an alloy with discrete ASi2 and BSi2 dispersed phases. In contrast, metals that form a solid solution result in a dispersed phase that has a composition of AxB1−xSi2, where x varies continuously across each inclusion. This complex composition distribution is putatively caused by differences in the solidification temperatures of ASi2 versus BSi2. Though this behavior was observed for several different combinations of metals, we focus here specifically on the Cr/V/Si system. To better understand the range and most probable element concentrations in the dispersed silicide domains, a method was devised to generate histograms of their Cr and V concentrations from energy-dispersive X-ray spectroscopy hyperspectral images. Varying the Cr/V/Si ratio was found to change the shape of the element histograms, indicating that the distribution of silicide compositions that form is controlled by the input composition. Adding aluminum was found to result in dispersed phases that had a single composition rather than a range of Cr and V concentrations. This demonstrates that aluminum can be an effective additive for altering solidification kinetics in silicon alloys.

Machine learning (ML) and artificial intelligence (AI) are quickly becoming commonplace in materials research. In addition to the standard workflow of fitting a model to a large set of data in order to make predictions, the materials community is finding novel and meaningful ways to integrate AI within their work. This has led to an acceleration not only of materials design and discovery, but also of other aspects of materials research as well, including faster computational models, the development of autonomous and intelligent “robot researchers,” and the automatic discovery of physical models. In this issue, we highlight a few of these applications and argue that AI/ML is delivering real-world, practical solutions to materials problems. It is also clear that we need AI/ML methods and models, “dialects” that are better adapted to materials research.

The discovery, design, and development of new alloys have long been critical elements of advanced engineering systems. Challenged by their chemical and structural complexity, this design process is, however, often too slow. This article highlights progress in theory, computation, data, and advanced experimental techniques that are advancing our capabilities for rapid discovery and design of new multicomponent alloys. Applied across the length scales, these new capabilities support exploration across broad composition spaces; examples of new materials and associated advances in the understanding of underlying thermochemical and thermomechanical phenomena are presented. We highlight current challenges, gaps, and specific areas that, if further developed, could have future high payoff.

Chemical and structural data are reported for platinum–palladium intermediates from two nuggets found at Córrego Bom Sucesso, Minas Gerais, Brazil. Three grains with simple stoichiometries (i.e. PtxPd1−x with x ∼0.67, ∼0.5 and ∼0.33, which correspond to Pt2Pd, PtPd and PtPd2, respectively) were characterized by single-crystal X-ray diffraction and electron-probe microanalysis. In the absence of single-crystal data it might be tempting to hypothesize that such simple stoichiometries represent distinct mineral species, however structural analyses show that all of the phases are cubic and crystallize in space group Fmm. They are, therefore, natural intermediates in the palladium–platinum solid solution. Reflectance and micro-hardness values are reported for the samples and a comparison with the pure metallic elements made. On the basis of information gained from the chemical and structural characterization it can be concluded that there is a complete solid solution between Pt and Pd in nature. These findings corroborate results from experiments on synthetic compounds.

The thermal behaviour and mechanism of formation of different texture types of intergrown As-Sb alloys have been studied by DTA and annealing experiments performed on natural samples. The constant composition of the As-rich component and of the stibarsen in the intergrowths, and the large compositional range of the homogeneous solid solution obtained after heating in the DTA cycle, have been established using the linear relationship between cell volume and composition. The high-temperature features detected in the DTA studies of the natural samples confirm previously published phase relations for the synthetic As-Sb system. The low-temperature features can be correlated with the homogenization reaction which leads to the formation of a complete solid solution. Study of TTT plots based on the annealing experiments clearly shows that a diffusion mechanism is involved in the homogenization reaction. This has been further substantiated by fitting the experimental data to kinetic equations for diffusion-controlled processes. The kinetic parameters evaluated from the ending time for the 520, 480, and 420 °C annealing experiments, using both the Arrhenius and the transition state theory formalisms, suggests a rather rigid activated complex for the rate-determining step of the process.

Modern hydrogen technology requires materials with high capacity storage. Many metals and alloys form cheap metal hydrides that can contain a high volume density of hydrogen. The quaternary alloy Cr–Fe–Ti–Zr with Laves phases is one promising hydrogen storage material. Understanding phase equilibria properties is essential to improve the Laves phases’ hydrogen storage capacity. In this work, the thermodynamic description of two constituent ternary phase materials, Cr–Ti–Zr and Fe–Ti–Zr are investigated using the Calphad method. A set of Gibbs energies was optimized during this work and good agreement between modeling and available experimental information was found. Moreover, a new thermodynamic model for a binary Fe–Zr system was developed based on recent experimental investigation about intermetallic compounds FeZr2 and FeZr3. Obtained in this work results can find application in development of new hydrogen storage materials.

Early Iron Age pastoralists of the Eurasian steppes relied heavily on copper for weapons and ornaments, and new analysis of metal composition enables long-distance networks to be identified. Primary circulation from source areas where copper was mined can be distinguished alongside the secondary circulation of alloy types with high proportions of tin-bronze or leaded tin-bronze. The relative presence of trace elements, depleted during recycling events, provides a proxy for the flow of metal between regions. The localised seasonal movements characteristic of these mobile steppe societies underlie some of these patterns, but the evidence also indicates more extensive transfers, including the direct movement of finished objects over considerable distances.

Using a Sutton and Chen interatomic potential, we study the molecular dynamics of Au-Pd nanoparticles with an initial icosahedral structure at different temperatures and concentrations, where each relative concentration of the 561-atom particles was made by placing atoms of the same species at equivalent sites, in order to identify under which conditions the melting transition temperature appears for each particle. In addition, we compute global order parameters in order to correlate the obtained results with the caloric curves of each particle. As a result, we observe that the melting transition temperature depends on the relative atomic positions of gold and palladium. The melting transition temperature of the Au-Pd alloy particles appears at higher temperature than that of the pure-gold particle. From the analysis of the structure of the particles, we found that the melting temperature increases with the proportion of gold atoms, and for those particles with a higher concentration of palladium on the surface, we observe an early migration of gold atoms before the melting transition temperature appears.

The valence states of Mg-Al alloys are compared to those of reference materials (pure Mg and Al metals, and intermetallics). Two methods based on X-ray emission spectroscopy are proposed to determine the phases and their proportion: first, by analyzing the Al valence spectra of the Mg-rich alloys and the Mg valence spectra of the Al-rich alloys; second, by fitting with a linear combination of the reference spectra the Al spectra of the Al-rich alloys and the Mg spectra of the Mg-rich alloys. This enables us to determine that Al and Al3Mg2 are present in the 0–43.9 wt% Al composition range and Mg and Al12Mg17 are present in the 62.5–100 wt% Al composition range. In the 43.9–62.5% Al range, the alloy is single phase and an underestimation of the Al content of the alloy can be estimated from the comparison of the bandwidth of the alloy spectrum to the bandwidths of the reference spectra.

Artifacts in the field evaporation behavior of small precipitates have limited the accuracy of atom probe tomography analysis of clusters and precipitates smaller than 2 nm. Here, we report on specific observations of reconstruction artifacts that were obtained in case of precipitates with radii less than 10 nm in Al alloys, focusing particularly on a shift that appears in the relative positioning of matrix and precipitate atoms. We show that this chemically dependent behavior, referred to as “chromatic aberration,” is due to the electrostatic field above the emitter and the variations in field evaporation of the elements constituting the precipitates.

The structure and phase of the Al2O3 scale that forms on an Fe3Al-based alloy Fe-28Al-5Cr (at.%) was investigated by transmission electron microscopy and photoluminescence spectroscopy. Oxidation was performed at 900 °C and 1000 °C for up to 190 min. Transmission electron microscopy revealed that single-layer scales were formed after short oxidation times. Electron diffraction was used to show that the scales are composed of nanoscale crystallites of the θ, γ, and α phases of alumina. Band-like structure was observed extending along three 120°-separated directions within the surface plane. Textured θ and γ grains were the main components of the bands, whereas mixed α and transient phases were found between the bands. Extended oxidation produced a double-layered scale structure with a continuous α layer at the scale/alloy interface and a γ/θ layer at the gas surface. The mechanism for the formation of Al2O3 scales on iron aluminide alloys is discussed and compared with that for nickel aluminide alloys.

Using geometrically constrained specimens, the plastic flow behaviors of the as-cast and the relaxed Zr52.5Cu17.9Ni14.6Al10.0Ti5.0 bulk metallic glass in the dynamic compression were investigated. Both alloys exhibit a significant plasticity in the dynamic compression. The plastic deformation in both alloys is still inhomogeneous, which is characterized by the serrated plastic flow and the formation of shear bands. Free volumes affect the shear banding and the plastic flow. The reduced free volume results in the deviation of the shear banding direction from the maximum shear stress. The relaxed alloy exhibits the obvious stress overshoot, which is consistent with the theoretical prediction using a free volume model.

Five Ni–Zr–B ternary eutectic alloys were synthesized by means of melt spinning and were found “amorphous” by standard surface x-ray diffraction. The thermal stability was determined by differential scanning calorimetry. Glass-formation ability (GFA) was characterized by reduced glass transition temperature among the five “amorphous” alloys. The existence of intermetallic compounds which are structurally complex and have bigger lattice parameters is proved to enhance the higher GFA. The effective suppression of nucleation and growth of intermetallic compounds plays a very important role for the glass formation.

During the operation of proton exchange membrane (PEM) fuel cells, a high-resistance oxide is often formed on the cathode surface of base metal bipolar plates. Over time, this corrosion mechanism leads to a drop in fuel cell efficiency and potentially to complete failure. To address this problem, we have developed alloys capable of forming oxides that are both conductive and chemically stable under PEM fuel cell operating conditions. Five alloys of titanium with tantalum or niobium were investigated. The oxides were formed on the alloys by cyclic voltammetry in solutions mimicking the cathode- and anode-side environment of a PEM fuel cell. The oxides of all tested alloys had lower surface resistance than the oxide of pure titanium. We also investigated the chemical durability of Ti–Nb and Ti–Ta alloys in more concentrated solutions beyond those typically found in PEM fuel cells. The oxide films formed on Ti–Nb and Ti–Ta alloys remained conductive and chemically stable in these concentrated solutions. The stability of the oxide films was evaluated; Ti alloys having 3% Ta and Nb were identified as potential candidates for bipolar plate materials.

Metallic foams have become an attractive research field both from a scientific viewpoint and the prospect of industrial applications. Various methods for making such foams are available. Some techniques start from specially prepared molten metals with adjusted viscosities. Such melts can be foamed by injecting gases or by adding gas-releasing blowing agents that decompose in situ, causing the formation of bubbles. Another method is to prepare supersaturated metal–gas systems under high pressure and initiate bubble formation by pressure and temperature control. Yet a further class of techniques begins with solid precursors containing a blowing agent. These can be prepared by mixing metal powders with a blowing agent, compacting the mix, and then foaming the compacted mix by melting. Alternatively, casting routes can be used to make such precursors. The unique properties of foams offer promise in a variety of applications ranging from lightweight construction and impact-energy absorption to various types of acoustic damping and thermal insulation.

The following article is based on the MRS Medal talk by Norm Bartelt (Sandia National Laboratories, California), presented at the 2001 Materials Research Society Fall Meeting on November 29 in Boston. Bartelt received the Medal for his “contributions to the statistical mechanics of materials surfaces.” A long-standing goal of materials science research has been to predict the long-term evolution of the microstructure of materials from a knowledge of atomic processes. This is usually extremely difficult to do in any detail because of the large number of atomic processes to consider, many of which are poorly understood. On solid surfaces, however, progress in the prediction of microstructural evolution can now be made because of advances in real-time microscopy that allow the characterization of the time evolution of microstructure in unprecedented detail. These observations directly reveal the complex relationships between collective thermal fluctuations on atomic scales and deterministic behavior on macroscopic scales. In this presentation, attempts to construct models of these observations are discussed.

For a century, nickel-cadmium (Ni-Cd) batteries have been widely used as electrochemical energy-storage cells. However, due to the rapid development of portable electronic devices and the increasing search for cleaner electric vehicles, new generations of batteries have been investigated during the last few decades. Among them, nickel metal hydride (Ni-MH) batteries, with their larger capacities and improved environmental compatibility, have shown their ability to replace Ni-Cd cells. The negative electrodes of Ni-MH batteries are made of reversibly hydride-forming intermetallic compounds. In this article, the crystallographic and thermodynamic properties of these compounds will be reviewed. Their hydrogen-absorption properties, their electrochemical performance, and the solutions that have been found to achieve reliable cycle life will be presented. The industrial market for Ni-MH batteries will also be discussed in comparison with other battery systems.

Combinatorial methods are high-efficiency methods to create large composition “libraries” of materials, for example, continuous composition variations, and test those compositions systematically in parallel for specific properties of interest, in contrast to the time-consuming one-composition-at-a-time approach. These methods have captured the attention of the materials industry with the promise of providing new discoveries “faster, better, and cheaper.” However, in the academic community, combinatorial methods often meet with less enthusiasm, perhaps due to the perception of combinatorial methodology as an Edisonian approach to science. The facts are quite to the contrary. In addition to impressive successes arising from the application of combinatorial methods to materials discovery, results coming out of systematic high-throughput investigations of complex materials phenomena (which would be too time-consuming or expensive to undertake) provide data leading to improvement in theories and models of materials chemistry and physics. Indeed, combinatorial methods provide a new paradigm for advancing a central scientific goal—the fundamental understanding of structure–property relationships of materials behavior.