Recent developments in reactive potentials for the simulation of complex bonding and complex chemistry are reviewed. In particular, the reactive force field and charged optimized many-body methods are two paradigms that enable atoms to autonomously determine their charge state and the nature of their local bonding environments. The capabilities of these methods are illustrated by examples involving ionic-covalent systems, a metal-covalent system, a high-k dielectric gate stack, and the interaction of water with an oxide. Prospects for future development and applications are also discussed.

When an electron beam passes through or near a metal structure, it will excite surface plasmons, providing a unique way to access surface plasmon behavior at the nanoscale. An electron beam focused to nanometer dimensions thus functions as a point source that is able to probe the local plasmonic mode structure at deep-subwavelength resolution. In this article, we show how well-controlled coupling between an electron beam and surface plasmons, combined with a far-field detection system, allows characterization and manipulation of plasmons on a variety of plasmonic devices. By mapping the spatial profile of inelastic scattering to resonant modes, the dispersion and losses of surface plasmons are resolved. The technique further allows probing of the confinement of plasmons within cavities and measuring the angular emission profile of nanoantennas. The coupling of electrons to surface plasmons allows the use of the electron beam as a dipole emitter that can be positioned at will. The beam position thereby can select between modes with different symmetries. This effect can be used to exert forces on plasmonic structures on the nanometer length scale with great control.

Everyone has heard the slogan “Reduce, Reuse, Recycle”—but does observing this hierarchy really minimize negative impacts? With respect to reduction, it seems clear that using less of something decreases the impact. Similarly, reuse of a material or product should decrease the impact of each use, as long as the resources needed to restore the item to usable condition each time are not too large. For recycling, the picture varies by material and often involves tradeoffs among impacts. Life-cycle analysis aims to comprehensively compare all of the impacts of various disposition options. This article summarizes the pros and cons of recycling materials used in paper, drink containers, and the complex batteries for electric vehicles from the perspective of life-cycle analysis.

The complex thermochemical and thermomechanical environments in high temperature propulsion and energy generation systems often demand the use of suites of materials with disparate properties. Unique combinations of materials that simultaneously function to optimize mechanical, thermal, and environmental properties can enable breakthroughs in design and system capability. This article focuses on interlayers that function as environmental barriers and promote adhesion of the ceramic thermal barriers to metallic substrates. The structure, composition, processing, and performance of major classes of bond coatings are briefly reviewed. Challenges for the development of new coating systems and for prediction of their performance in service are addressed.

The phenomenon of electron tunneling has been known since the advent of quantum mechanics, but continues to enrich our understanding of many fields of physics, as well as creating sub-fields on its own. Spin-dependent tunneling in magnetic tunnel junctions has aroused considerable interest and development. In parallel with this endeavor, recent advances in thin-film ferroelectrics have demonstrated the possibility of achieving stable and switchable ferroelectric polarization in nanometer-thick films. This discovery opened the possibility of using thin-film ferroelectrics as barriers in magnetic tunnel junctions, thus merging the fields of magnetism, ferroelectricity, and spin-polarized transport into an exciting and promising area of novel research. Nowadays, this research has become an important constituent of a broader effort in multiferroic materials and heterostructures that involves rich fundamental science and offers a potential for applications in novel multifunctional devices. The purpose of this article is to review recent developments in ferroelectric and multiferroic tunnel junctions. Starting from the concept of electron tunneling, we first discuss the key properties of magnetic tunnel junctions and then assess key functional characteristics of ferroelectric and multiferroic tunnel junctions. We discuss the recent demonstrations of giant resistive switching observed in ferroelectric tunnel junctions and the new concept of electrically controlling the spin polarization in magnetic tunnel junctions with a ferroelectric tunnel barrier.

The superlative electronic, optical, mechanical, and chemical properties of graphene suggest broad technological opportunities for graphene-based materials and composites. However, the transition from the research laboratory to widespread commercial utilization requires economical methods for the mass production of graphene and graphene-based materials. Among the emerging methods for synthesizing graphene, solution-based processing holds particular promise because of its low cost, high throughput, chemical versatility, and scalability to large quantities. Furthermore, solution-processed graphene can be seamlessly integrated with other nanomaterials or polymers to yield composites for a wide array of applications such as energy conversion and storage, catalysis, electronics, and high-strength materials. This article highlights the range of techniques being developed for processing graphene in solution with a specific emphasis on solution-based methods for realizing graphene-based composites. In addition to fundamental principles, representative applications for these materials are presented.

Thermal conductivity is a familiar property of materials: silver conducts heat well, and plastic does not. In recent years, an interdisciplinary group of materials scientists, engineers, physicists, and chemists have succeeded in pushing back long-established limits in the thermal conductivity of materials. Carbon nanotubes and graphene are at the high end of the thermal conductivity spectrum due to their high sound velocities and relative lack of processes that scatter phonons. Unfortunately, the superlative thermal properties of carbon nanotubes have not found immediate application in composites or interface materials because of difficulties in making good thermal contact with the nanotubes. At the low end of the thermal conductivity spectrum, solids that combine order and disorder in the random stacking of two-dimensional crystalline sheets, so-called “disordered layered crystals,” show a thermal conductivity that is only a factor of 2 larger than air. The cause of this low thermal conductivity may be explained by the large anisotropy in elastic constants that suppresses the density of phonon modes that propagate along the soft direction. Low-dimensional quantum magnets demonstrate that electrons and phonons are not the only significant carriers of heat. Near room temperature, the spin thermal conductivity of spin-ladders is comparable to the electronic thermal conductivities of metals. Our measurements of nanoscale thermal transport properties employ a variety of ultrafast optical pump-probe metrology tools that we have developed over the past several years. We are currently working to extend these techniques to high pressures (60 GPa), high magnetic fields (5 T), and high temperatures (1000 K).

Stretchable electronics can go beyond what might commonly be considered “electronics.” They can exploit their inherent elasticity to enable new types of transducers that convert between electrical energy and mechanical energy. Dielectric elastomer actuators are “stretchable capacitors” that can offer muscle-like strain and force response to an applied voltage. As generators, dielectric elastomers offer the promise of energy harvesting with few moving parts. Power can be produced simply by stretching and contracting a relatively low-cost rubbery material. This simplicity, combined with demonstrated high energy density and high efficiency, suggests that dielectric elastomers are promising for a wide range of energy-harvesting applications. Indeed, dielectric elastomers have been demonstrated to harvest energy from human walking, ocean waves, flowing water, blowing wind, pushing buttons, and heat engines. While the technology is promising and advances are being made, there are challenges that must be addressed if dielectric elastomers are to be a successful and economically viable energy-harvesting technology. These challenges include developing materials and packaging that sustain a long lifetime over a range of environmental conditions, designing the devices that stretch the elastomer material uniformly, and system issues such as practical and efficient energy-harvesting circuits.

High resolution electrochemical imaging methods provide opportunities to study localized phenomena on electrode surfaces. Here, we review recent advances in scanning electrochemical microscopy (SECM) to study materials involved in (electrocatalytic) energy-related applications. In particular, we discuss SECM as a powerful screening technique and also advances in novel techniques based on micro- and nanopipets, such as the scanning micropipet contact method and scanning electrochemical cell microscopy and their use in energy-related research.

Complex prosthetic limbs, the bionic eye, or brain-computer interfaces implement microelectrode arrays to connect the nervous system to an electronic device. The aim is to partly restore lost body functions or to gather bioelectrical activity from the nervous system. Microelectrode arrays are fabricated to have specific electrical and mechanical properties to match the biological requirements of the intended application. Polyimide and parylene-C are favorable polymers for substrate and insulation layers in thin-film applications. This article reviews the materials and the mechanical and electrical properties of electrode arrays. It emphasizes the often ignored but crucial influence of adhesion of the thin-film layers on the device’s longevity and reliability. Adhesion promotion techniques using layers of silicon carbide (SiC) are also discussed. Even though the main focus is on thin-film devices fabricated using traditional methods of micromachining based on lithography, an alternative to thin films, laser-patterned silicone/metal foil microelectrode arrays, is also presented. Characterization as well as application examples of these devices are also presented.

This article reports on the state-of-the-art of the development of aluminum nitride (AlN) thin-film microelectromechanical systems (MEMS) with particular emphasis on acoustic devices for radio frequency (RF) signal processing. Examples of resonant devices are reviewed to highlight the capabilities of AlN as an integrated circuit compatible material for the implementation of RF filters and oscillators. The commercial success of thin-film bulk acoustic resonators is presented to show how AlN has de facto become an industrial standard for the synthesis of high performance duplexers. The article also reports on the development of a new class of AlN acoustic resonators that are directly integrated with circuits and enable a new generation of reconfigurable narrowband filters and oscillators. Research efforts related to the deposition of doped AlN films and the scaling of sputtered AlN films into the nano realm are also provided as examples of possible future material developments that could expand the range of applicability of AlN MEMS.

The possibility has recently been reported of using spatially resolved electron energy loss spectroscopy and cathodoluminescence in scanning (transmission) electron microscopes to probe optical excitations—plasmons, photons, excitons—at a scale that could not have been considered only a few years ago. This allows these excitations to be studied at the relevant scale for the characterization of novel materials with potential applications in nanophotonics and nanoplasmonics. This review aims at describing the state-of-the art experimental and theoretical techniques of this emerging field and its major uses and applications.

Molten deposits based on calcium-magnesium alumino-silicates (CMAS), originating from siliceous debris ingested with the intake air, represent a fundamental threat to progress in gas turbine technology by limiting the operating surface temperature of coated components. The thermomechanical and thermochemical aspects of the CMAS interactions with thermal-barrier coatings, as well as the current status of mitigating strategies, are discussed in this article. Key challenges and research needs for developing adequate solutions are highlighted.

Homogeneous graphene layers can be grown epitaxially on SiC(0001), promising scalable graphene technology. However, covalent bonds at the SiC–graphene interface induce strong n-doping of the graphene. This doping can be compensated by functionalizing the graphene surface with electronegative molecules. Alternatively, the influence of the substrate can be largely suppressed by breaking the covalent bonds through atomic intercalation. Hydrogen atoms migrate under the graphene, passivate the underlying SiC layer, and decouple the graphene from the substrate. In this way, large-scale, homogeneous, quasi-free-standing graphene layers can be achieved. By intercalation of germanium, the electronic structure of the decoupled graphene can be tailored. Two symmetrically doped, namely, n- and p-type, phases are stabilized, depending on the amount of intercalated germanium. This is achieved by annealing a germanium film at various temperatures after it is initially deposited on the covalently bonded carbon layer. In an intermediate temperature regime, lateral p–n junctions between the two phases can be formed, size-tailored on a mesoscopic scale.

We discuss the relative complexity and computational cost of several popular many-body empirical potentials, developed by the materials science community over the past 30 years. The inclusion of more detailed many-body effects has come at a computational cost, but the cost still scales linearly with the number of atoms modeled. This is enabling very large molecular dynamics simulations with unprecedented atomic-scale fidelity to physical and chemical phenomena. The cost and scalability of the potentials, run in serial and parallel, are benchmarked in the LAMMPS molecular dynamics code. Several recent large calculations performed with these potentials are highlighted to illustrate what is now possible on current supercomputers. We conclude with a brief mention of high-performance computing architecture trends and the research issues they raise for continued potential development and use.

Ensuring the continued availability of materials for manufactured products requires comprehensive systems to recapture resources from end-of-life and wastewater products. To design such systems, it is critical to account for the complexities of extracting desired materials from multicomponent products and waste streams. Toward that end, we have constructed dynamic simulation–optimization models that accurately describe the recovery of materials and energy from products, residues, and wastewater sludges. These models incorporate fundamental principles such as the second law of thermodynamics, as well as detailed, empirically based descriptions of the mechanical separation of materials at the particulate level. They also account for the evolution of the recycling system over time. Including these real-world details and constraints enables realistic comparisons of recycling rates for different products and technological options and accurate assessments of options for improvement. We have applied this methodology to the recycling of complex, multimaterial products, specifically cars and electronic wastes, as well as wastewater and surface-water systems. This analysis clarifies how product design, recycling technology, and process metallurgy affect recycling rates and water quality. By linking these principles to technology-based design-for-recycling systems, we aim to provide a rigorous basis to reveal the opportunities and limits of recycling to ensure the supply of critical elements. These tools will also provide information to help policymakers reach appropriate decisions on how to design and run these systems and allow the general public to make informed choices when selecting products and services.

Resistive memory devices based on organic materials that can be configured to two or more stable resistance states have been extensively explored as information storage media due to their advantages, which include simple device structures, low fabrication costs, and flexibility. Various organic-based materials such as small molecules, polymers, and composite materials have been observed to show bistability. This review provides a general summary about the materials, structures, characteristics, and mechanisms of organic resistive memory devices. Several critical strategies for device fabrication, performance enhancement, and integrated circuit architectures are also discussed.

Thin-film piezoelectric lead zirconate titanate (PZT) is one of the most efficient electromechanical coupling transducer materials currently available for microelectromechanical systems (MEMS). This article reviews piezoelectric MEMS (piezo MEMS) technologies using PZT thin films in radio frequency (RF) devices for communications and radar applications and in the emerging field of millimeter-scale robotics. The electromechanical material properties of thin-film PZT uniquely enable insect-inspired and insect-scale autonomous robots. Recent progress on large force and displacement actuators for robotic leg joints, compact and high torque ultrasonic motors, and bioinspired millimeter-scale flapping wing platforms will be presented. The use of thin-film PZT to achieve high performance and low-voltage RF MEMS switches, ultralow power consumption nanomechanical logic circuits, and high coupling and low loss resonators, filters, and transformers are also reviewed.