Fast and Selective Ionic Transport: From Ion-Conducting Channels to Ion Exchange Membranes for Flow Batteries

This review discusses selective and fast transport of ionic species (ions and their associates) through systems as diverse as ion-conducting transmembrane proteins and ion exchange membranes (IEMs) in aqueous environments, with special emphasis on the role of electrostatics, specific chemical interactions, and morphology (steric effects). Contrary to the current doctrine, we suggest that properly balanced ion-coordinating interactions are more important than steric effects for selective ion transport in biological systems. Steric effects are more relevant to the selectivity of ionic transport through IEMs. As a general rule, decreased hydration leads to higher selectivity but also to lower transport rate. Near-perfect selectivity is achieved by ion-conducting channels in which unhydrated ions transfer through extremely short hydrophobic passages separating aqueous environments. In IEMs, ionic species practically keep their hydration shell and their transport is sterically constrained by the width of aqueous pathways. We discuss the trade-off between selectivity and transport rates and make suggestions for choosing, optimizing, or developing membranes for technological applications such as vanadium-redox-flow batteries.

Precipitate Shearing, Fault Energies, and Solute Segregation to Planar Faults in Ni-, CoNi-, and Co-Base Superalloys

The mechanical properties of superalloys are strongly governed by the resistance to shearing of ordered precipitates by dislocations. In the operating environments of superalloys, the stresses and temperatures present during thermomechanical loading influence the dislocation shearing dynamics, which involve diffusion and segregation processes that result in a diverse array of planar defects in the ordered L12 γ′ precipitate phase. This review discusses the current understanding of high-temperature deformation mechanisms of γ′ precipitates in two-phase Ni-, Co-, and CoNi-base superalloys. The sensitivity of planar fault energies to chemical composition results in a variety of unique deformation mechanisms, and methods to determine fault energies are therefore reviewed. The degree of chemical segregation in the vicinity of planar defects reveals an apparent phase transformation within the parent γ′ phase. The kinetics of segregation to linear and planar defects play a significant role in high-temperature properties. Understanding and controlling fault energies and the associated dislocation dynamics provide a new pathway for the design of superalloys with exceptional properties.

Thermoelectrics by Computational Design: Progress and Opportunities

The performance of thermoelectric materials is determined by their electrical and thermal transport properties that are very sensitive to small modifications of composition and microstructure. Discovery and design of next-generation materials are starting to be accelerated by computational guidance. We review progress and challenges in the development of accurate and efficient first-principles methods for computing transport coefficients and illustrate approaches for both rapid materials screening and focused optimization. Particularly important and challenging are computations of electron and phonon scattering rates that enter the Boltzmann transport equations, and this is where there are many opportunities for improving computational methods. We highlight the first successful examples of computation-driven discoveries of high-performance materials and discuss avenues for tightening the interaction between theoretical and experimental materials discovery and optimization. Expected final online publication date for the Annual Review of Materials Science, Volume 51 is August 2021. Please see http://www.annualreviews.org/page/journal/pubdates for revised estimates.

Emerging Capabilities for the High-Throughput Characterization of Structural Materials

Structural materials have lagged behind other classes in the use of combinatorial and high-throughput (CHT) methods for rapid screening and alloy development. The dual complexities of composition and microstructure are responsible for this, along with the need to produce bulk-like, defect-free materials libraries. This review evaluates recent progress in CHT evaluations for structural materials. High-throughput computations can augment or replace experiments and accelerate data analysis. New synthesis methods, including additive manufacturing, can rapidly produce composition gradients or arrays of discrete alloys-on-demand in bulk form, and new experimental methods have been validated for nearly all essential structural materials properties. The remaining gaps are CHT measurement of bulk tensile strength, ductility, and melting temperature and production of microstructural libraries. A search strategy designed for structural materials gains efficiency by performing two layers of evaluations before addressing microstructure, and this review closes with a future vision of the autonomous, closed-loop CHT exploration of structural materials. Expected final online publication date for the Annual Review of Materials Science, Volume 51 is August 2021. Please see http://www.annualreviews.org/page/journal/pubdates for revised estimates.

Low-Density, High-Temperature Co Base Superalloys

Co base superalloys strengthened by coherent L12 ordered γ′ precipitate in a disordered face-centered cubic γ matrix represent a new opportunity for high-temperature alloy development. The emergence of alloys with low density and high specific yield strength at elevated temperatures has further energized the research and development efforts in the last 5 years. Initially stabilized by the addition of small amounts of Nb and Ta, these new generations of alloys with multiple alloying additions to form basic quaternary and ternary alloys have steadily expanded the property envelopes to raise hope for a modern class of superalloys with higher-temperature capabilities. This article reviews the work of a vibrant set of researchers across the globe whose findings are constantly unlocking the potential of these alloys. These developments have achieved high-temperature strength (at 870°C) >0.6 GPa, γ′ solvus temperature exceeding 1,100°C, and densities between 7.8 and 8.6 g/cm3. Expected final online publication date for the Annual Review of Materials Science, Volume 51 is August 2021. Please see http://www.annualreviews.org/page/journal/pubdates for revised estimates.

Chemistry Under Shock Conditions

Shock loading takes materials from ambient conditions to extreme conditions of temperature and nonhydrostatic stress on picosecond timescales. In molecular materials the fast loading results in temporary nonequilibrium conditions with overheated low-frequency modes and relatively cold, high-frequency, intramolecular modes; coupling the shock front with the material's microstructure and defects results in energy localization in hot spots. These processes can conspire to lead to a material response not observed under quasi-static loads. This review focuses on chemical reactions induced by dynamical loading, the understanding of which requires bringing together materials science, shock physics, and condensed matter chemistry. Recent progress in experiments and simulations holds the key to the answer of long-standing grand challenges with implications for the initiation of detonation and life on Earth. Expected final online publication date for the Annual Review of Materials Science, Volume 51 is August 2021. Please see http://www.annualreviews.org/page/journal/pubdates for revised estimates.

Cation Dynamics in Hybrid Halide Perovskites

Hybrid halide perovskite semiconductors exhibit complex, dynamical disorder while also harboring properties ideal for optoelectronic applications that include photovoltaics. However, these materials are structurally and compositionally distinct from traditional compound semiconductors composed of tetrahedrally coordinated elements with an average valence electron count of silicon. The additional dynamic degrees of freedom of hybrid halide perovskites underlie many of their potentially transformative physical properties. Neutron scattering and spectroscopy studies of the atomic dynamics of these materials have yielded significant insights into their functional properties. Specifically, inelastic neutron scattering has been used to elucidate the phonon band structure, and quasi-elastic neutron scattering has revealed the nature of the uncorrelated dynamics pertaining to molecular reorientations. Understanding the dynamics of these complex semiconductors has elucidated the temperature-dependent phase stability and origins of defect-tolerant electronic transport from the highly polarizable dielectric response. Furthermore, the dynamic degrees of freedom of the hybrid perovskites provide additional opportunities for application engineering and innovation. Expected final online publication date for the Annual Review of Materials Science, Volume 51 is August 2021. Please see http://www.annualreviews.org/page/journal/pubdates for revised estimates.

Effects of Radiation-Induced Defects on Corrosion

The next generation of nuclear reactors will expose materials to conditions that, in some cases, are even more extreme than those in current fission reactors, inevitably leading to new materials science challenges. Radiation-induced damage and corrosion are two key phenomena that must be understood both independently and synergistically, but their interactions are often convoluted. In the light water reactor community, a tremendous amount of work has been done to illuminate irradiation-corrosion effects, and similar efforts are under way for heavy liquid metal and molten salt environments. While certain effects, such as radiolysis and irradiation-assisted stress corrosion cracking, are reasonably well established, the basic science of how irradiation-induced defects in the base material and the corrosion layer influence the corrosion process still presents many unanswered questions. In this review, we summarize the work that has been done to understand these coupled extremes, highlight the complex nature of this problem, and identify key knowledge gaps. Expected final online publication date for the Annual Review of Materials Science, Volume 51 is August 2021. Please see http://www.annualreviews.org/page/journal/pubdates for revised estimates.

Quantum Spin Liquids from a Materials Perspective

Quantum spin liquids are unique quantum states of matter predicted to arise in low-dimensional, frustrated, and quantum magnetic systems. Compared with conventional ferromagnetic and antiferromagnetic states, quantum spin liquids are expected to display a variety of novel and exotic properties, making their realization in materials a highly appealing prospect. While an unambiguous realization of this long-sought-after state remains elusive, a growing number of materials candidates show promise in revealing the properties of quantum spin liquids. In this review, we present some of the key challenges and current opportunities in the synthesis, characterization, and understanding of quantum spin liquids from the perspective of the broad and interdisciplinary field of materials research. Expected final online publication date for the Annual Review of Materials Science, Volume 51 is August 2021. Please see http://www.annualreviews.org/page/journal/pubdates for revised estimates.

Ternary Nitride Materials: Fundamentals and Emerging Device Applications

Interest in inorganic ternary nitride materials has grown rapidly over the past few decades, as their diverse chemistries and structures make them appealing for a variety of applications. Due to synthetic challenges posed by the stability of N2, the number of predicted nitride compounds dwarfs the number that have been synthesized, offering a breadth of opportunity for exploration. This review summarizes the fundamental properties and structural chemistry of ternary nitrides, leveraging metastability and the impact of nitrogen chemical potential. A discussion of prevalent defects, both detrimental and beneficial, is followed by a survey of synthesis techniques and their interplay with metastability. Throughout the review, we highlight applications (such as solid-state lighting, electrochemical energy storage, and electronic devices) in which ternary nitrides show particular promise. Expected final online publication date for the Annual Review of Materials Science, Volume 51 is August 2021. Please see http://www.annualreviews.org/page/journal/pubdates for revised estimates.