Showing papers in "JOM in 2013"

Materials Design and Discovery with High-Throughput Density Functional Theory: The Open Quantum Materials Database (OQMD)

Abstract: High-throughput density functional theory (HT DFT) is fast becoming a powerful tool for accelerating materials design and discovery by the amassing tens and even hundreds of thousands of DFT calculations in large databases. Complex materials problems can be approached much more efficiently and broadly through the sheer quantity of structures and chemistries available in such databases. Our HT DFT database, the Open Quantum Materials Database (OQMD), contains over 200,000 DFT calculated crystal structures and will be freely available for public use at http://oqmd.org . In this review, we describe the OQMD and its use in five materials problems, spanning a wide range of applications and materials types: (I) Li-air battery combination catalyst/electrodes, (II) Li-ion battery anodes, (III) Li-ion battery cathode coatings reactive with HF, (IV) Mg-alloy long-period stacking ordered (LPSO) strengthening precipitates, and (V) training a machine learning model to predict new stable ternary compounds.

Alloy Design Strategies and Future Trends in High-Entropy Alloys

Abstract: High-entropy alloys (HEAs) are newly emerging advanced materials. In contrast to conventional alloys, HEAs contain multiple principal elements, often five or more in equimolar or near-equimolar ratios. The basic principle behind HEAs is that solid-solution phases are relatively stabilized by their significantly high entropy of mixing compared to intermetallic compounds, especially at high temperatures. This makes them feasibly synthesized, processed, analyzed, and manipulated, and as well provides many opportunities for us. There are huge numbers of possible compositions and combinations of properties in the HEA field. Wise alloy design strategies for suitable compositions and processes to fit the requirements for either academic studies or industrial applications thus become especially important. In this article, four core effects were emphasized, several misconceptions on HEAs were clarified, and several routes for future HEA research and development were suggested.

Mechanical Properties and Stacking Fault Energies of NiFeCrCoMn High-Entropy Alloy

Abstract: Materials with low stacking fault energies have been long sought for their many desirable mechanical attributes. Although there have been many successful reports of low stacking fault alloys (for example Cu-based and Mg-based), many have lacked sufficient strength to be relevant for structural applications. The recent discovery and development of multicomponent equiatomic alloys (or high-entropy alloys) that form as simple solid solutions on ideal lattices has opened the door to investigate changes in stacking fault energy in materials that naturally exhibit high mechanical strength. We report in this article our efforts to determine the stacking fault energies of two- to five-component alloys. A range of methods that include ball milling, arc melting, and casting, is used to synthesize the alloys. The resulting structure of the alloys is determined from x-ray diffraction measurements. First-principles electronic structure calculations are employed to determine elastic constants, lattice parameters, and Poisson’s ratios for the same alloys. These values are then used in conjunction with x-ray diffraction measurements to quantify stacking fault energies as a function of the number of components in the equiatomic alloys. We show that the stacking fault energies decrease with the number of components. Nonequiatomic alloys are also explored as a means to further reduce stacking fault energy. We show that this strategy leads to a means to further reduce the stacking fault energy in this class of alloys.

Aluminum Alloying Effects on Lattice Types, Microstructures, and Mechanical Behavior of High-Entropy Alloys Systems

Abstract: The crystal lattice type is one of the dominant factors for controlling the mechanical behavior of high-entropy alloys (HEAs). For example, the yield strength at room temperature varies from 300 MPa for the face-centered-cubic (fcc) structured alloys, such as the CoCrCuFeNiTix system, to about 3,000 MPa for the body-centered-cubic (bcc) structured alloys, such as the AlCoCrFeNiTix system. The values of Vickers hardness range from 100 to 900, depending on lattice types and microstructures. As in conventional alloys with one or two principal elements, the addition of minor alloying elements to HEAs can further alter their mechanical properties, such as strength, plasticity, hardness, etc. Excessive alloying may even result in the change of lattice types of HEAs. In this report, we first review alloying effects on lattice types and properties of HEAs in five Al-containing HEA systems: AlxCoCrCuFeNi, AlxCoCrFeNi, AlxCrFe1.5MnNi0.5, AlxCoCrFeNiTi, and AlxCrCuFeNi2. It is found that Al acts as a strong bcc stabilizer, and its addition enhances the strength of the alloy at the cost of reduced ductility. The origins of such effects are then qualitatively discussed from the viewpoints of lattice-strain energies and electronic bonds. Quantification of the interaction between Al and 3d transition metals in fcc, bcc, and intermetallic compounds is illustrated in the thermodynamic modeling using the CALculation of PHAse Diagram method.

Lithium: Sources, Production, Uses, and Recovery Outlook

Abstract: The demand for lithium has increased significantly during the last decade as it has become key for the development of industrial products, especially batteries for electronic devices and electric vehicles. This article reviews sources, extraction and production, uses, and recovery and recycling, all of which are important aspects when evaluating lithium as a key resource. First, it describes the estimated reserves and lithium production from brine and pegmatites, including the material and energy requirements. Then, it continues with a description about the current uses of lithium focusing on its application in batteries and concludes with a description of the opportunities for recovery and recycling and the future demand forecast. The article concludes that the demand of lithium for electronic vehicles will increase from 30% to almost 60% by 2020. Thus, in the next years, the recovery and recycling of lithium from batteries is decisive to ensure the long-term viability of the metal.

Rare-Earth Economics: The Balance Problem

Abstract: TMS has forged cooperative agreements with several carefully selected organizations that actively work to benefit the materials science community. In this occasional series, JOM will provide an update on the activities of these organizations. This installment, by the Center for Resource Recovery & Recycling (CR3), focuses on the importance of recycling of rare earths to mitigate the so-called Balance Problem. The CR3 is a research center established by Worcester Polytechnic Institute, Colorado School of Mines, and KU Leuven. Twenty-eight corporations and national laboratories along with support from the U.S. National Science Foundation’s Industry University Cooperative Research Center (I/UCRC) program are sponsors of the center.

Coupling of Electron Channeling with EBSD: Toward the Quantitative Characterization of Deformation Structures in the SEM

Abstract: The coupling of electron channeling contrast imaging (ECCI) with electron backscatter diffraction (EBSD) provides an efficient and fast approach to perform ECCI of crystal defects, such as dislocations, cells, and stacking faults, under controlled diffraction conditions with enhanced contrast. From a technical point of view, the ECCI technique complements two of the main electron microscopy techniques, namely, EBSD and conventional diffraction-based transmission electron microscopy. In this review, we provide several application examples of the EBSD-based ECCI approach on microstructure characterization, namely, characterization of single dislocations, measurement of dislocation densities, and characterization of dislocation substructures in deformed bulk materials. We make use of a two-beam Bloch wave approach to interpret the channeling contrast associated with crystal defects. The approach captures the main features observed in the experimental contrast associated with stacking faults and dislocations.

A Successful Synthesis of the CoCrFeNiAl0.3 Single-Crystal, High-Entropy Alloy by Bridgman Solidification

Abstract: For the first time, a face-centered-cubic, single-crystal CoCrFeNiAl0.3 (designated as Al0.3), high-entropy alloy (HEA) was successfully synthesized by the Bridgman solidification (BS) method, at an extremely low withdrawal velocity through a constant temperature gradient, for which it underwent two BS steps. Specially, at the first BS step, the alloy sample underwent several morphological transitions accompanying the crystal growth from the melt. This microstructure evolves from as-cast dendrites, to equiaxed grains, and then to columnar crystals, and last to the single crystal. In particular, at the equiaxed-grain region, some visible annealing twins were observed, which indicates a low stacking fault energy of the Al0.3 alloy. Although a body-centered-cubic CoCrFeNiAl (Al1) HEA was also prepared under the same conditions, only a single columnar-crystal structure with instinctively preferential crystallographic orientations was obtained by the same procedure. A similar morphological transition from dendrites to equiaxed grains occurred at the equiaxed-grain region in Al1 alloy, but the annealing twins were not observed probably because a higher Al addition leads to a higher stacking fault energy for this alloy.

Features of Transmission EBSD and its Application

Abstract: Features of transmission electron backscatter diffraction (EBSD) observation with a standard EBSD (s-EBSD) detector are surveyed in this study. Heavily deformed Al and 8Cr tempered martensite transmission electron microscope (TEM) specimens were used for this study. It is shown that a specimen tilt angle of ~30°–40° in the opposite direction of the usual 70° and a smaller working distance in the range 4 mm–5 mm are recommended when using a s-EBSD detector. Specimen thickness and accelerating voltage (Acc.V) have a strong affect on the quality of transmission EBSD patterns and orientation maps. Higher Acc.Vs are generally recommended to get good quality orientation maps. In case of very thin specimens, lowering the Acc.Vs will give better results. In the observation of a thin film of an 8Cr tempered martensite steel specimen, it is confirmed that t-EBSD can provide images and detailed quantitative orientation data comparable with that obtained by TEM. It is also shown that small precipitates of Cr23C6 with sizes around 30 nm could be detected and their orientations measured.

Carbothermic Reduction of Nickeliferous Laterite Ores for Nickel Pig Iron Production in China: A Review

Abstract: Both the consumption and production of crude stainless steel in China rank first in the world. In 2011, the nickel production in China amounted to 446 kilotons, with the proportion of electrolytic nickel and nickel pig iron (NPI) registering 41.5% and 56.5%, respectively. NPI is a low-cost feedstock for stainless steel production when used as a substitute for electrolytic nickel. The existing commercial NPI production processes such as blast furnace smelting, rotary kiln-electric furnace smelting, and Krupp-Renn (Nipon Yakin Oheyama) processes are discussed. As low-temperature (below 1300°C) reduction of nickeliferous laterite ores followed by magnetic separation could provide an alternative avenue without smelting at high temperature (~1500°C) for producing ferronickel with low cost, the fundamentals and recent developments of the low-temperature reduction of nickeliferous laterite ores are reviewed.

Phase Composition and Superplastic Behavior of a Wrought AlCoCrCuFeNi High-Entropy Alloy

Abstract: A cast AlCoCrCuFeNi high-entropy alloy was multiaxially forged at 950°C to produce a fine homogeneous mixture of grains/particles of four different phases with the average size of ~2.1 μm. The forged alloy exhibited unusual superplastic behavior accompanied by a pronounced softening stage, followed by a steady-state flow stage, during tensile deformation at temperatures of 800°C–1000°C and at strain rates of 10−4–10−1 s−1. Despite the softening stage, no noticeable strain localization was observed and a total elongation of up to 1240% was obtained. A detailed analysis of the phase composition and microstructure of the alloy before and after superplastic deformation was conducted, the strain rate and temperature dependences of the flow stress were determined at different stages of the superplastic deformation, and the relationships between the microstructure and properties were identified and discussed.

Phase Evolution and Densification Behavior of Nanocrystalline Multicomponent High Entropy Alloys During Spark Plasma Sintering

Abstract: In the current study, the phase evolution of multicomponent equiatomic CoCrCuFeNi, CoCuFeNi, CoCrCuNi, and CoCrFeNi alloys synthesized by mechanical alloying (MA) followed by annealing was studied. From the phase evolution studies, CoCrFeNi, CoFeMnNi, CoCuFeNi, and CoFeNi were chosen to correlate the densification together with phase evolution during spark plasma sintering (SPS). MA resulted in a major face centered cubic (fcc) phase and a minor body centered cubic (bcc) phase in Cr-containing alloys, and a single fcc phase in all other alloys. After SPS, CoFeMnNi and CoFeNi remained as single fcc phase. However, CoCuFeNi transformed to two fcc phases, and CoCrFeNi had a major fcc phase with minor sigma phase. From densification studies, it was evident that CoCrFeNi showed delayed densification, albeit maximum final densification in comparison to other alloys. This behavior was attributed to distinctly different phase evolution in CoCrFeNi during SPS as compared to other alloys. Detailed phase evolution studies were carried out on CoCrFeNi by annealing the powders at different temperatures followed by conventional x-ray diffraction (XRD) and in situ high-temperature XRD of mechanically alloyed powders. The results obtained from the annealing and in situ high-temperature XRD studies were correlated with the densification and alloying behavior of CoCrFeNi alloy.

Prediction of A2 to B2 Phase Transition in the High-Entropy Alloy Mo-Nb-Ta-W

Abstract: In this article, we show that an effective Hamiltonian fit with first-principles calculations predicts that an order/disorder transition occurs in the high-entropy alloy Mo-Nb-Ta-W. Using the Alloy Theoretic Automated Toolkit, we find T = 0 K enthalpies of formation for all binaries containing Mo, Nb, Ta, and W, and in particular, we find the stable structures for binaries at equiatomic concentrations are close in energy to the associated B2 structure, suggesting that at intermediate temperatures, a B2 phase is stabilized in Mo-Nb-Ta-W. Our previously published hybrid Monte Carlo (MC)/molecular dynamics (MD) results for the Mo-Nb-Ta-W system are analyzed to identify certain preferred chemical bonding types. A mean field free energy model incorporating nearest-neighbor bonds is derived, allowing us to predict the mechanism of the order/disorder transition. We find the temperature evolution of the system is driven by strong Mo-Ta bonding. A comparison of the free energy model and our MC/MD results suggests the existence of additional low-temperature phase transitions in the system likely ending with phase segregation into binary phases.

An Overview of Useful Methods to Treat, Recover, or Recycle Spent Potlining

Abstract: A summary of the state of the art of the processes used to reduce the toxicity and/or recycle spent potlining (SPL) is presented including some industries (cement, rockwool, and steel) that accept quantities of SPL. The authors have concentrated on processes that either are still active or have been developed to a pilot or preindustrial stage and have provided references to allow the reader to access other useful processes.

Corrosion in the Oil and Gas Industry: An Increasing Challenge for Materials

Abstract: Important reserves of oil and gas, which are left to be discovered and produced, are mainly concentrated in challenging locations and under severe conditions [i.e., high pressure (HP)/high temperature (HT)]. The HP/HT plus the presence of aggressive environments mean a highly demanding scenario for tubes used in producing oil and gas [oil country tubular goods (OCTG)]. Material property requirements include high mechanical properties at ambient and high temperatures (e.g., as high up to 200–250°C). Additionally, if H2S is present, resistance to sulfide stress cracking may be required, depending also on other environmental conditions. Even without H2S, contents of CO2, chlorides, and high temperatures and pressures can represent a risk of high corrosion rates. The improvement of some of the required properties of the materials (e.g., steels) can mean the impairment of other properties. Consequently, a careful balance is required and limits exist for the individual modification of the properties. The present article focuses on the two main environmental deterioration problems in the oil and gas business: (I) sulfide stress cracking and (II) CO2 corrosion. A description of the acting mechanisms and the effect of environmental and material factors are presented. Selection criteria and current material limitations are also discussed.

Nucleation, Growth, Transport, and Entrapment of Inclusions During Steel Casting

Abstract: The nucleation, growth, transport, and entrapment of nonmetallic inclusions during the steel casting process are briefly reviewed in this article. The current main research accomplishments as well as future topics that should be focused on in this field are summarized.

Methods for First-Principles Alloy Thermodynamics

Abstract: Traditional first-principles calculations excel at providing formation energies at absolute zero, but obtaining thermodynamic information at nonzero temperatures requires suitable sampling of all the excited states visited in thermodynamic equilibrium, which would be computationally prohibitive via brute-force quantum mechanical calculations alone. In the context of solid-state alloys, this issue can be addressed via the coarse-graining concept and the cluster expansion formalism. This process generates simple, effective Hamiltonians that accurately reproduce quantum mechanical calculation results and that can be used to efficiently sample configurational, vibrational, and electronic excitations and enable the prediction of thermodynamic properties at nonzero temperatures. Vibrational and electronic degrees of freedom are formally eliminated from the problem by writing the system’s partition function in a nested form in which the inner sums can be readily evaluated to yield an effective Hamiltonian. The remaining outermost sum corresponds to atomic configurations and can be handled via Monte Carlo sampling driven by the resulting effective Hamiltonian, thereby delivering thermodynamic properties at nonzero temperatures. This article describes these techniques and their implementation in the alloy theoretic automated toolkit, an open-source software package. The methods are illustrated by applications to various alloy systems.

Hydrogel Composite Materials for Tissue Engineering Scaffolds

Abstract: Hydrogels are appealing for biomaterials applications due to their compositional similarity with highly hydrated natural biological tissues. However, for structurally demanding tissue engineering applications, hydrogel use is limited by poor mechanical properties. Here, composite materials approaches are considered for improving hydrogel properties while attempting to more closely mimic natural biological tissue structures. A variety of composite material microstructures is explored, based on multiple hydrogel constituents, particle reinforcement, electrospun nanometer to micrometer diameter polymer fibers with single and multiple fiber networks, and combinations of these approaches to form fully three-dimensional fiber-reinforced hydrogels. Natural and synthetic polymers are examined for formation of a range of scaffolds and across a range of engineered tissue applications. Following a discussion of the design and fabrication of composite scaffolds, interactions between living biological cells and composite scaffolds are considered across the full life cycle of tissue engineering from scaffold fabrication to in vivo use. We conclude with a summary of progress in this area to date and make recommendations for continuing research and for advanced hydrogel scaffold development.

Biomimetic Materials by Freeze Casting

Abstract: Natural materials, such as bone and abalone nacre, exhibit exceptional mechanical properties, a product of their intricate microstructural organization. Freeze casting is a relatively simple, inexpensive, and adaptable materials processing method to form porous ceramic scaffolds with controllable microstructural features. After infiltration of a second polymeric phase, hybrid ceramic-polymer composites can be fabricated that closely resemble the architecture and mechanical performance of natural bone and nacre. Inspired by the narwhal tusk, magnetic fields applied during freeze casting can be used to further control architectural alignment, resulting in freeze-cast materials with enhanced mechanical properties.

Precipitates in Biomedical Co-Cr Alloys

Abstract: Herein, precipitates in biomedical Co-Cr-Mo and Co-Cr-W-Ni alloys are reviewed with a focus on their phase, chemical composition, morphology, and formation/dissolution during heat treatment. The effects of the heat-treatment conditions and the addition of minor alloying elements such as carbon, nitrogen, Si, and Mn on the precipitates are also discussed. Mostly, the precipitates in the alloys are of the σ-phase, M23X6-type phase, η-phase (M6X-M12X type), π-phase (M2T3X type), χ-phase, M7X3-type phase, or M2X-type phase (M and T refer to metallic elements, and X refers to carbon and/or nitrogen); the σ- and χ-phases are intermetallic compounds, and the others are carbides, nitrides, and carbonitrides. The dissolution of the precipitates during solution treatment is delayed by the formation of the π-phase at temperatures where partial melting occurs in the alloys. In addition, the stability of the precipitates depends on the content of minor alloying elements. For example, the addition of carbon enhances the formation of M23X6-type and M7X3-type precipitates. Nitrogen stabilizes the M2X-type, η-phase, and π-phase precipitates, and Si stabilizes the η-phase and χ-phase precipitates. The balance between the minor alloying element abundances also affects the constitution of the precipitates in Co-Cr alloys.

The Influence of Grain Boundaries on Radiation-Induced Point Defect Production in Materials: A Review of Atomistic Studies

Abstract: Radiation-induced defects cause severe degradation of materials properties during irradiation that can ultimately cause the material to fail. Consequences of these defects include swelling, embrittlement, and undesirable phase transformations. Nanocrystalline materials, which contain a high density of grain boundaries, have demonstrated enhanced radiation tolerance compared to large grain counterparts under certain conditions. This is because, as has long been recognized, grain boundaries can serve as defect sinks for absorbing and annihilating radiation-induced defects. Increasingly, researchers have examined how grain boundaries influence the direct production of defects during collision cascade, the origin of the radiation-induced defects. In this review article, we analyze the computational studies in this area that have been performed during the past two decades. These studies examine defect production near grain boundaries in metallic, ionic, and covalent systems. It is found that, in most systems, grain boundaries absorb more interstitials than vacancies during the defect production stage. While this is generically true of most boundaries, the detailed interaction between defects and grain boundaries does depend on boundary atomic structure, the stress state near the boundary, cascade-boundary separation, and materials properties. Furthermore, the defect distribution near boundaries is qualitatively different from that in single crystals, with the former often exhibiting larger vacancy clusters and smaller interstitial clusters than the latter. Finally, grain boundaries that are damaged after cascades have occurred exhibit different interaction behavior with defects than their pristine counterparts. Together, these atomistic simulation results provide useful insight for both developing higher-level modeling of defect evolution at long timescales and how interfaces influence radiation damage evolution.

Effect of Aluminum Content on Microstructure and Mechanical Properties of Al x CoCrFeMo 0.5 Ni High-Entropy Alloys

Abstract: High-entropy alloys AlxCoCrFeMo0.5Ni with varied Al contents (x = 0, 0.5, 1.0, 1.5, and 2.0) have been designed based on the AlxCoCrCuFeNi system to improve mechanical properties for room and elevated temperatures. They have been investigated for microstructure and mechanical properties. As the aluminum content increases, the as-cast structure evolves from face-centered cubic dendrite + minor σ-phase interdendrite at x = 0 to B2 dendrite with body-centered cubic (bcc) precipitates + bcc interdendrite with B2 precipitates at x = 2.0. This confirms the strong bcc-forming tendency of Al. The room-temperature Vickers hardness starts from the lowest, HV 220, at x = 0, attains to the maximum, HV 720, at x = 1.0, and then decreases to HV 615 at x = 2.0. Compared with the base alloy system, the current alloy system has a superior combination of hardness and fracture toughness. In addition, AlxCoCrFeMo0.5Ni alloys except x = 0 display a higher hot hardness level than those of Ni-based superalloys, including In 718 and In 718 H, up to 1273 K and show great potential in high-temperature applications.

Microstructure and Tensile Behavior of Al 8 Co 17 Cr 17 Cu 8 Fe 17 Ni 33 (at.%) High-Entropy Alloy

Abstract: Microstructure evolution and tensile behavior of the high-entropy alloy Al8Co17Cr17Cu8Fe17Ni33 (at.%) are investigated at room temperature and at 500°C in the as-cast state and under different heat-treatment conditions. Detailed microstructural characterizations are carried out using optical microscopy, scanning electron microscopy, and transmission electron microscopy. The equilibrium phase evolution as a function of temperature was calculated using the Thermo-Calc software (Thermo-Calc Software, Stockholm, Sweden) integrated with TTNi-7 database. The observed majority phase is a face-centered cubic solid solution for all tested specimens. Tensile ductility at room temperature and at elevated temperature is enhanced by heat treatment at 1150°C. An embrittlement phenomenon has been observed after a heat treatment at 700°C resulting in significant degradation in tensile properties.

Material and Energy Requirement for Rare Earth Production

Abstract: The use of rare earth metals (REMs) for new applications in renewable and communication technologies has increased concern about future supply as well as environmental burdens associated with the extraction, use, and disposal (losses) of these metals. Although there are several reports describing and quantifying the production and use of REM, there is still a lack of quantitative data about the material and energy requirements for their extraction and refining. Such information remains difficult to acquire as China is still supplying over 95% of the world REM supply. This article attempts to estimate the material and energy requirements for the production of REM based on the theoretical chemical reactions and thermodynamics. The results show the material and energy requirement varies greatly depending on the type of mineral ore, production facility, and beneficiation process selected. They also show that the greatest loss occurs during mining (25–50%) and beneficiation (10–30%) of RE minerals. We hope that the material and energy balances presented in this article will be of use in life cycle analysis, resource accounting, and other industrial ecology tools used to quantify the environmental consequences of meeting REM demand for new technology products.

Progress in High Entropy Alloys

Abstract: Strictly speaking, high-entropy alloys (HEAs) refer to single-phase, solid-solution alloys with multiprincipal elements in an equal or a near-equal molar ratio whose configurational entropy is tremendously high. This special topic was organized to reflect the focus and diversity of HEA research topics in the community.

Potential Applications of Concentrated Solar Thermal Technologies in the Australian Minerals Processing and Extractive Metallurgical Industry

Abstract: The Australian minerals processing and extractive metallurgy industries are responsible for about 20% of Australia’s total greenhouse gas (GHG) emissions. This article reviews the potential applications of concentrated solar thermal (CST) energy in the Australian minerals processing industry to reduce this impact. Integrating CST energy into these industries would reduce their reliance upon conventional fossil fuels and reduce GHG emissions. As CST technologies become more widely deployed and cheaper, and as fuel prices rise, CST energy will progressively become more competitive with conventional energy sources. Some of the applications identified in this article are expected to become commercially competitive provided the costs for pollution abatement and GHG mitigation are internalized. The areas of potential for CST integration identified in this study can be classed as either medium/low-temperature or high-temperature applications. The most promising medium/low-grade applications are electricity generation and low grade heating of liquids. Electricity generation with CST energy—also known as concentrated solar power—has the greatest potential to reduce GHG emissions out of all the potential applications identified because of the 24/7 dispatchability when integrated with thermal storage. High-temperature applications identified include the thermal decomposition of alumina and the calcination of limestone to lime in solar kilns, as well as the production of syngas from natural gas and carbonaceous materials for various metallurgical processes including nickel and direct reduced iron production. Hybridization and integration with thermal storage could enable CST to sustain these energy-intensive metallurgical processes continuously. High-temperature applications are the focus of this paper.

Why Solidification? Why Phase-Field?

Abstract: “Solidification” is a branch of pattern formation in theoretical physics. “Phase-field” is an applied tool in engineering. This strange combination of basic and applied research is reviewed against its historical background: a story of failure and success. The main achievements in both fields are highlighted, and future perspectives are briefly discussed.

A Primer on Hydrometallurgical Rare Earth Separations

Abstract: This article delineates the history and details of hydrometallurgical rare earth separations and technologies. It covers the history, development, application, and recently published research into this key aspect of rare earths separation and recovery.

From Grain Boundaries to Single Defects: A Review of Coherent Methods for Materials Imaging in the X-ray Sciences

Abstract: This review summarizes the literature describing recent advances in the coherent x-ray sciences for the high-resolution characterization of materials. The principles and some of the main experimental techniques as well as their applications are discussed. The advantages of x-ray methods for characterizing 3D microstructures as well as for characterizing plasticity in the bulk become clear from the examples presented. Materials that exhibit size effects within the 0.1–10-μm range benefit enormously from these techniques, and development of the relevant x-ray methods will add to our fundamental understanding of these phenomena. Many of the ideas that have developed in the coherent x-ray science literature have been enabled through advances in x-ray source and detection technology, which has occurred over the past 10 years or so. It is a topic of considerable importance to consider how these techniques, which have matured rapidly, may be best applied to materials imaging in order to meet the growing needs of the community. As coherent x-ray methods for characterizing materials at multiple length scales have developed, several key applications for these techniques have emerged. The key breakthroughs that have been enabled by these new methods are discussed throughout this review, together with an examination of some of the problems that will be addressed by these techniques within the next few years.

Multiscale Modeling of Composites: Toward Virtual Testing … and Beyond

Abstract: Recent developments in the area of multiscale modeling of fiber-reinforced polymers are presented. The overall strategy takes advantage of the separation of length scales between different entities (ply, laminate, and component) found in composite structures. This allows us to carry out multiscale modeling by computing the properties of one entity (e.g., individual plies) at the relevant length scale, homogenizing the results into a constitutive model, and passing this information to the next length scale to determine the mechanical behavior of the larger entity (e.g., laminate). As a result, high-fidelity numerical simulations of the mechanical behavior of composite coupons and small components are nowadays feasible starting from the matrix, fiber, and interface properties and spatial distribution. Finally, the roadmap is outlined for extending the current strategy to include functional properties and processing into the simulation scheme.