Establishing structure–property correlations is of paramount importance to materials research. The ability to selectively detect observable magnetization from transitions between quantized spin states of nuclei makes nuclear magnetic resonance (NMR) spectroscopy a powerful probe to characterize solids at the atomic level. In this article, we review recent advances in NMR techniques in six areas: spectral

The development of structural materials with outstanding mechanical response has long been sought for innumerable industrial, technological, and even biomedical applications. However, these compounds tend to derive their fascinating properties from a myriad of interactions spanning multiple scales, from localized chemical bonding to macroscopic interactions between grains. This diversity has limited

Semiconducting polymers have the potential to be used in thermoelectric devices that are lightweight, flexible, and fabricated using solution processing. Because of the structural and energetic disorder of these polymers, the relationship between their structure and thermoelectric properties is complex. We review how interrelated processing routes and doping methods affect the thermoelectric properties

Understanding the nanoscale electrodynamic properties of a material at microwave frequencies is of great interest for materials science, condensed matter physics, device engineering, and biology. With specialized probes, sensitive detection electronics, and improved scanning platforms, microwave microscopy has become an important tool for cutting-edge materials research in the past decade. In this

We live in a research era marked by impressive new tools powering the scientific method to accelerate the discovery, prediction, and control of increasingly complex systems. In common with many disciplines and societal challenges and opportunities, materials and condensed matter sciences are beneficiaries. The volume and fidelity of experimental, computational, and visualization data available, and

Machine learning, applied to chemical and materials data, is transforming the field of materials discovery and design, yet significant work is still required to fully take advantage of machine learning algorithms, tools, and methods. Here, we review the accomplishments to date of the community and assess the maturity of state-of-the-art, data-intensive research activities that combine perspectives

The discovery of alternative methods of producing electrical energy that avoid the generation of greenhouse gases and do not contribute to global warming is a compelling problem of our time. Ubiquitous, but often highly distributed, sources of energy on earth exist in the small-temperature-difference regime, 10–250°C. In this review, we discuss a family of methods that can potentially recover this

Abstract

Grain boundaries can undergo phase-like transitions, called complexion transitions, in which their structure, composition, and properties change discontinuously as temperature, bulk composition, and other parameters are varied. Grain boundary complexion transitions can lead to rapid changes in the macroscopic properties of polycrystalline metals and ceramics and are responsible for a variety of materials

Integrating silicon and III-nitride technologies for high-speed and large bandwidth communication demands optically interconnected active components that detect, process, and emit photons and electrons. It is imperative that multifunctional materials can enhance the performance and simplify fabrication of such devices. Spontaneously grown GaN in the nanowall network (NwN) architecture simultaneously

Advances in machine learning have impacted myriad areas of materials science, such as the discovery of novel materials and the improvement of molecular simulations, with likely many more important developments to come. Given the rapid changes in this field, it is challenging to understand both the breadth of opportunities and the best practices for their use. In this review, we address aspects of both

Constructing hybrid composites with organic and inorganic materials at different length scales provides unconventional opportunities in the field of thermoelectric materials, which are classified as hybrid crystal, superlattice, and nanocomposite. A variety of new techniques have been proposed to fabricate hybrid thermoelectric materials with homogeneous microstructures and intimate interfaces, which

Transition metal dichalcogenide (TMD) monolayers and heterostructures have emerged as a compelling class of materials with transformative properties that may be harnessed for novel device technologies. These materials are commonly fabricated by exfoliation of flakes from bulk crystals, but wafer-scale epitaxy of single-crystal films is required to advance the field. This article reviews the fundamental

Recent advances in the synthesis of block copolymers have enabled the creation of smart and functional designer polymers possessing specific intermolecular interactions. The long-range nature of these interactions strongly affects the molecular packings and microstructures of such polymers, which are intimately related to their properties. In addition to various applications, their unique physicochemical

We review recent applications of positive muon spin relaxation (μSR) spectroscopy as an active probe of ion diffusion in energy storage materials. μSR spectroscopy allows the study of ionic diffusion in solid-state materials on a time scale between 10−5 and 10−8 s where most long-range and consecutive short-range jumps of ions between interstitial sites occur. μSR also allows one to probe and model

Abstract

Symmetry is fundamental to understanding our physical world. An antisymmetry operation switches between two different states of a trait, such as two time states, position states, charge states, spin states, or chemical species. This review covers the fundamental concepts of antisymmetry and focuses on four antisymmetries, namely, spatial inversion in point groups, time reversal, distortion reversal

The rapidly growing interest in machine learning (ML) for materials discovery has resulted in a large body of published work. However, only a small fraction of these publications includes confirmation of ML predictions, either via experiment or via physics-based simulations. In this review, we first identify the core components common to materials informatics discovery pipelines, such as training data

The recently discovered topological quantum materials (TQMs) have electronic structures that can be characterized by certain topological invariants. In these novel materials, the unusual bulk and surface electrons not only give rise to many exotic physical phenomena but also foster potential new technological applications. To characterize the unusual electronic structures of these new materials, investigators

Dislocations play a vital role in the mechanical behavior of crystalline materials during deformation. To capture dislocation phenomena across all relevant scales, a multiscale modeling framework of plasticity has emerged, with the goal of reaching a quantitative understanding of microstructure–property relations, for instance, to predict the strength and toughness of metals and alloys for engineering

X-ray microscopy has been an indispensable tool to image nanoscale properties for materials research. One of its recent advances is extending microscopic studies to the time domain to visualize the dynamics of nanoscale phenomena. Large-scale X-ray facilities have been the powerhouse of time-resolved X-ray microscopy. Their upgrades, including a significant reduction of the X-ray emittance at storage

Topological magnetic structures such as domain walls, vortices, and skyrmions have recently received considerable attention because of their potential application in advanced functional devices. Tuning the magnetic order of the topological structures can result in emergent functionalities and thus lead to novel application concepts. Strain engineering is one promising approach with which to control

Reducing the weight of automobiles is a major contributor to increased fuel economy. The baseline materials for vehicle construction, low-carbon steel and cast iron, are being replaced by materials with higher specific strength and stiffness: advanced high-strength steels, aluminum, magnesium, and polymer composites. The key challenge is to reduce the cost of manufacturing structures with these new

The iron aluminides discussed here are Fe–Al-based alloys, in which the matrix consists of the disordered bcc (Fe,Al) solid solution (A2) or the ordered intermetallic phases FeAl (B2) and Fe3Al (D03). These alloys possess outstanding corrosion resistance and high wear resistance and are lightweight materials relative to steels and nickel-based superalloys. These materials are evoking new interest for

Cold sintering is an unusually low-temperature process that uses a transient transport phase, which is most often liquid, and an applied uniaxial force to assist in densification of a powder compact. By using this approach, many ceramic powders can be transformed to high-density monoliths at temperatures far below the melting point. In this article, we present a summary of cold sintering accomplishments

Circular economy's (CE) noble aims maximize resource efficiency (RE) by, for example, extending product life cycles and using wastes as resources. Modern society's vast and increasing amounts of waste and consumer goods, their complexity, and functional material combinations are challenging the viability of the CE despite various alternative business models promising otherwise. The metallurgical processing

Three-dimensional (3D) topological semimetals represent a new class of topological matters. The study of this family of materials has been at the frontiers of condensed matter physics, and many breakthroughs have been made. Several topological semimetal phases, including Dirac semimetals (DSMs), Weyl semimetals (WSMs), nodal-line semimetals (NLSMs), and triple-point semimetals, have been theoretically

Many materials crystallize in structure types that feature a square net of atoms. While these compounds can exhibit many different properties, some members of this family are topological materials. Within the square-net-based topological materials, the observed properties are rich, ranging, for example, from nodal-line semimetals to a bulk half-integer quantum Hall effect. Hence, the potential for

We review recent theoretical progress in the understanding and prediction of novel topological semimetals. Topological semimetals define a class of gapless electronic phases exhibiting topologically stable crossings of energy bands. Different types of topological semimetals can be distinguished on the basis of the degeneracy of the band crossings, their codimension (e.g., point or line nodes), and

Understanding mesoscale ferroelectric domain structures and their switching behavior under external fields is critical to applications of ferroelectrics. The phase-field method has been established as a powerful tool for probing, predicting, and designing the formation of domain structures under different electromechanical boundary conditions and their switching behavior under electric and/or mechanical

There is increasing awareness of the imperative to accelerate materials discovery, design, development, and deployment. Materials design is essentially a goal-oriented activity that views the material as a complex system of interacting subsystems with models and experiments at multiple scales of materials structure hierarchy. The goal of materials design is effectively to invert quantitative relationships

Mesoscale modeling and simulation approaches provide a bridge from atomic-scale methods to the macroscale. The phase field (PF) method has emerged as a powerful and popular tool for mesoscale simulation of microstructure evolution, and its use is growing at an ever-increasing rate. While initial research using the PF method focused on model development, as it has matured it has been used more and more

Understanding and predicting materials corrosion under electrochemical environments are of increasing importance to both established and developing industries and technologies, including construction, marine materials, geology, and biomedicine, as well as to energy generation, storage, and conversion. Owing to recent progress in the accuracy and capability of density functional theory (DFT) calculations

First-principles methods can provide insight into materials that is otherwise impossible to acquire. Density functional theory (DFT) has been the first-principles method of choice for numerous applications, but it falls short of predicting the properties of correlated materials. First-principles DFT + dynamical mean field theory (DMFT) is a powerful tool that can address these shortcomings of DFT when

During the past two decades, density-functional (DF) theory has evolved from niche applications for simple solid-state materials to become a workhorse method for studying a wide range of phenomena in a variety of system classes throughout physics, chemistry, biology, and materials science. Here, we review the recent advances in DF calculations for materials modeling, giving a classification of modern

A metasurface is an artificial nanostructured interface that has subwavelength thickness and that manipulates light by spatially arranged meta-atoms—fundamental building blocks of the metasurface. Those meta-atoms, usually consisting of plasmonic or dielectric nanoantennas, can directly change light properties such as phase, amplitude, and polarization. As a derivative of three-dimensional (3D) metamaterials

Biominerals are crucial materials that play a vital role in many forms of life. Understanding the various steps through which ions in aqueous environment associate to form increasingly structured particles that eventually transform into the final crystalline or amorphous poly(a)morph in the presence of biologically active molecules is therefore of great significance. In this context, computer modeling

Point defects in semiconductors and insulators form an exciting system for realizing quantum technologies, including quantum computing, communication, and metrology. Defects provide a platform that combines the environmental isolation necessary to maintain the coherence of quantum states with the ability to perform electrical and optical manipulation. First-principles calculations play a crucial role

Perovskite-type oxides have proven to be a versatile class of compounds with systematic study of their structure and various properties. Further structural variations and properties can be added by adding a second anionic species other than oxide, such as hydride, fluoride, nitride, or others. The different charge, covalency, size, and new modes of local coordination offer convenient ways to further

Zeolitic membranes have been an active area of research for at least 25 years. Continuous and creative improvements in the materials chemistry of membrane synthesis and in the understanding and predictability of membrane diffusion and separations have been achieved. Activity continues unabated and has increased with the introduction of new compositions such as metal-organic frameworks and other materials

The demand for high-temperature dielectric materials arises from numerous emerging applications such as electric vehicles, wind generators, solar converters, aerospace power conditioning, and downhole oil and gas explorations, in which the power systems and electronic devices have to operate at elevated temperatures. This article presents an overview of recent progress in the field of nanostructured

Insertion is a widely utilized process for reversibly changing the stoichiometry of a solid through a chemical or electrochemical stimulus. Insertion is instrumental to many energy technologies, including batteries, fuel cells, and hydrogen storage, and has been the subject of extensive investigations. More recently, solid-state switching devices utilizing insertion have drawn significant interest;

Scintillation detectors constitute an important branch of radiation detection instrumentation. The discovery of the inorganic scintillating compound thallium-activated sodium iodide (NaI:Tl) in 1948 was key to the production of the first practical gamma-ray spectrometer. Since that time, numerous inorganic scintillators have been discovered and studied. Many of the more successful inorganic scintillators

Understanding and designing sophisticated new materials require measurements of not only their average structural properties but also their dynamic behavior. X-ray photon correlation spectroscopy (XPCS) provides this information by characterizing fluctuations in condensed matter across a broad range of length scales and timescales. Over the past two decades, XPCS has provided a wide variety of results

The two-dimensional congeners of the well-known three-dimensional perovskites display new properties enabled by their reduced dimensionality. Here, organic molecules separate inorganic sheets, affording the properties of both discrete molecules and extended solids in single, well-defined materials. The choice of organic and inorganic components engenders a large range of structural motifs, which yield

Aquaporins (AQPs) are naturally occurring water channel proteins. They can facilitate water molecule translocation across cellular membranes with exceptional selectivity and high permeability that are unmatched in synthetic membrane systems. These unique properties of AQPs have led to their use as functional elements in membranes in recent years. However, the intricate nature of AQPs and concerns regarding

Piezoelectric materials convert between electrical and mechanical energies such that an applied stress induces a polarization and an applied electric field induces a strain. This review describes the fundamental mechanisms governing the piezoelectric response in high-performance piezoelectric single crystals, ceramics, and thin films. While there are a number of useful piezoelectric small molecules

The importance of configurational, vibrational, and electronic excitations in crystalline solids of technological interest makes a rigorous treatment of thermal excitations an essential ingredient in first-principles models of materials behavior. This contribution reviews statistical mechanics approaches that connect a crystal's electronic structure to its thermodynamic and kinetic properties. We start

X-ray tomography has emerged as a powerful technique for studying lithium ion batteries, allowing nondestructive and often quantitative imaging of these complex systems, which contain solid components with length scales spanning orders of magnitude and which are in-filled with liquid electrolyte. Over the past decade, X-ray tomography has allowed interrogation of structure and material composition

We review current progress with respect to ultrafast, atomic-scale resolution X-ray scattering studies of materials. In the last decade, advances in sources and techniques have opened up new possibilities for probing the dynamics of how materials change in situ and in real time. These developments have enabled direct measurements of the first primary steps in how complex/functional materials transform

Transparent conducting oxides (TCOs) and transparent oxide semiconductors (TOSs) have become necessary materials for a variety of applications in the information and energy technologies, ranging from transparent electrodes to active electronics components. Perovskite barium stannate (BaSnO3), a new TCO or TOS system, is a potential platform for realizing optoelectronic devices and observing novel electronic

Synthetic two-dimensional polymers (2DPs) are an emerging subclass of 2D materials that are accessible by mild and rational synthesis procedures. Because of their structure, which is reminiscent of a molecular fisherman's net, 2DPs strongly differ from conventional linear polymers. They are expected to show applications in fields such as gas separation, nonlinear optics, and miniaturization of optical

Historically, fibers are known to be relatively passive materials and are used primarily in textiles. Today, however, fibers with a range of functionalities such as electrical and thermal conductivity, superparamagnetic properties, temperature regulation, energy harvesting, and biomedical capability provide many possibilities. Most man-made fibers today are derived from petroleum, but there is increasing

Modern gas turbines rely on ceramic coatings to protect structural components along the hot gas path. These coatings are susceptible to accelerated degradation caused by silicate deposits formed when ingested environmental debris (dust, sand, ash) adheres to the coatings. This article reviews the current understanding of the deposit-induced failure mechanisms for zirconia-based thermal barrier coatings

We examine ice crystallization from liquid water and from water vapor, focusing on the underlying physical processes that determine growth rates and structure formation. Ice crystal growth is largely controlled by a combination of molecular attachment kinetics on faceted surfaces and large-scale diffusion processes, yielding a remarkably rich phenomenology of solidification behaviors under different

Heusler compounds are a large family of binary, ternary, and quaternary compounds that exhibit a wide range of properties of both fundamental and potential technological interest. The extensive tunability of the Heusler compounds through chemical substitutions and structural motifs makes the family especially interesting. In this article we highlight recent major developments in the field of Heusler

We give a bird's-eye view of the plastic deformation of crystals aimed at the statistical physics community, as well as a broad introduction to the statistical theories of forced rigid systems aimed at the plasticity community. Memory effects in magnets, spin glasses, charge density waves, and dilute colloidal suspensions are discussed in relation to the onset of plastic yielding in crystals. Dislocation

Activated processes in materials are important for many of the properties that make them function. Batteries and catalysts are examples for which understanding how the component materials function on a timescale of milliseconds to seconds is critical to making improvements in a rational way. Modeling materials over these long timescales, relative to the timescale of atomic vibrations, is one of the

Li ion batteries are important components of portable devices, electric vehicles, and smart grids owing to their high energy density, excellent cyclic performance, and safe operation. However, further development of electrode materials for these batteries is needed to satisfy continually increasing performance demands. Typically, both the charge/discharge kinetics and structural stability of these

We review recent advances in crystal growth techniques, focusing on the development of novel quantum materials. Recent progress in instrumentation design, opening new avenues in bulk crystal growth of oxide and intermetallic compounds, is highlighted. Specifically, we illustrate leading techniques that allow for the active control of crystal nucleation/growth and provide platforms for the realization