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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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Role of Nuclear Science User Facilities (NSUF) in Nuclear Energy Materials Research

The Nuclear Science User Facilities (NSUF) is one of a diverse number of U.S. Department of Energy (DOE) user facilities established to provide researchers with the most advanced tools of modern science. The NSUF is unique and represents a consortium of capabilities distributed across the U.S. at twenty-one institutions. The NSUF is centered at and managed from the Idaho National Laboratory (INL), where it was originally founded, but it coordinates activities at twenty “partner” institutions that include universities, the Center for Advanced Energy Studies (CAES), national laboratories, and a nuclear industry vendor. These institutions have capabilities that include neutron, ion, and gamma irradiation, hot cells, advanced materials characterization equipment, and high-performance computing resources. Many of these capabilities were beyond reach for most researchers before NSUF. The NSUF provides researchers to access these capabilities at no cost to nuclear energy researchers to produce the highest quality research results to increase understanding of advanced nuclear energy technologies important to DOE-NE and support national priorities by adapting to the needs of DOE-NE programs, industry, and new innovative concepts for sustainable nuclear future.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

Energy Material Network Data Hubs

In early 2015 the United States Department of Energy conceived of a consortium of collaborative bodies based on shared expertise, data, and resources that could be targeted towards the more difficult problems in energy materials research. The concept of virtual laboratories had been envisioned and discussed earlier in the decade in response to the advent of the Materials Genome Initiative and similar scientific thrusts. To be effective, any virtual laboratory needed a robust method for data management, communication, security, data sharing, dissemination, and demonstration to work efficiently and effectively for groups of remote researchers. With the accessibility of new, easily deployed cloud technology and software frameworks, such individual elements could be integrated, and the required collaboration architecture is now possible. The developers have leveraged open-source software frameworks, customized them, and merged them into a platform to enable collaborative energy materials science, regardless of the geographic dispersal of the people and resources. After five years in operations, the systems are demonstratively an effective platform for enabling research within the Energy Material Networks (EMN). This paper will show the design and development of a secured scientific data sharing platform, the ability to customize the system to support diverse workflows, and examples of the enabled research and results connected with some of the Energy Material Networks.

97 MATHEMATICS AND COMPUTING↗

Polymers in Lithium‐Ion and Lithium Metal Batteries

Abstract Lithium‐ion batteries play a significant role in modern electronics and electric vehicles. However, current Li‐ion battery chemistries are unable to satisfy the increasingly heightened expectations regarding energy demand and reliability. To boost the overall energy density while ensuring the safety of Li batteries, researchers have focused on alternative battery materials, such as silicon, sulfur, and Li metal. These represent promising avenues, although numerous obstacles (e.g., Si cracking, polysulfide shuttling, Li dendrites, etc.) must be tackled before batteries based on these materials can enter mass production and penetrate the mainstream market. Polymers are a class of materials that are widely used in current battery systems; however, many novel polymer chemistries may offer better performance and reliability than the current ones, and even overcome the issues of the above‐mentioned new battery materials. In this review, selected polymeric materials for solving these issues are categorized into four parts: polymer electrolytes, polymer artificial solid‐electrolyte interphases, binders, and separators. Both the current progress and the characterization methods are included. Potential future directions of energy materials research are pointed out as well.

Li, Junheng↗

Harnessing Quantum Computing for Energy Materials: Opportunities and Challenges

Developing high-performance materials is critical for diverse energy applications to increase efficiency, improve sustainability and reduce costs. Classical computational methods have enabled important breakthroughs in energy materials development, but they face scaling and time-complexity limitations, particularly for high-dimensional or strongly correlated material systems. Quantum computing (QC) promises to offer a paradigm shift by exploiting quantum bits with their superposition and entanglement to address challenging problems intractable for classical approaches. This Perspective discusses the opportunities in leveraging QC to advance energy materials research and the challenges QC faces in solving complex and high-dimensional problems. We present cases on how QC, when combined with classical computing methods, can be used for the design and simulation of practical energy materials. We also outline the outlook for error-corrected, fault-tolerant QC capable of achieving predictive accuracy and quantum advantage for complex material systems.

Algorithms↗

Shielded and Low-Damping SPM Probes for Quantitative Electrical and Electrochemical Characterization (Phase IIA)

The purpose of this DOE SBIR award was to develop new scanning probe microscopy tools for the elucidation of electrical and electrochemical properties at the nanoscale. High performance probes are important for energy materials research. In both solar cells and batteries, the essential physics and chemistry occur at the nanoscale and nanoscale characterization tools are required for their elucidation. Two products were developed: an electrically shielded probe and an electrically conductive probe with low leakage currents. Our processes were based on post processing of existing probes and fabrication methods were tested, leading to a laser micromachining based approach that led to the first minimal viable product. We invented a method to make a reliable electrical contact that attaches a flexible printed circuit board to the chip. enable leak-free operation crucial when used in conductive liquids and electrolytes. This proprietary solution improves chip handling, reduces contamination, and maintains effective electrical contact. The probes fabricated in this Phase IIa are a minimal viable product which attracted attention from various tip manufacturers and instrument manufacturers alike.

36 MATERIALS SCIENCE↗

Shielded and Low-Damping SPM Probes For Quantitative Electrical and Electrochemical Characterization (Phase IIB)

The purpose of this DOE SBIR award was to develop new scanning probe microscopy tools for the elucidation of electrical and electrochemical properties at the nanoscale. High performance probes are important for energy materials research. In both solar cells and batteries, the essential physics and chemistry occur at the nanoscale and nanoscale characterization tools are required for their elucidation. The introduced new models are a shielded probe and an electrically insulated probe where only less than one micron of a conductive tip is exposed. In Phases I and IIa, we explored the development of cost-effective methods to insulate cantilevers from aqueous solutions and patented a technology that provides an insulated electrical contact to the tip. Also, our technology was adapted to be compatible with all popular commercial AFM systems. In Phase IIb, we improved reproducibility and batch size to drive down costs while maintaining quality control with testing. We transformed our product into a convenient turnkey solution to make electrochemical characterization approachable to a wide range of researchers. In January 2021, the technology was well received by the AFM community and Nanosurf Inc. (Woburn, MA) acquired Scuba Probe Technologies. The technology and expertise of Scuba Probe Technologies complements Nanosurf’s development of the full range of nano-electrical characterization tools.

36 MATERIALS SCIENCE↗

Applying energy justice metrics to photovoltaic materials research

Abstract Achieving the energy transition sustainably requires addressing how new technologies may impact justice in the energy system. The Justice Underpinning Science and Technology Research (JUST-R) metrics framework was recently proposed to aid researchers in considering justice in early-stage research on energy technologies; however, case study evaluations of the framework revealed a desire from researchers to see metrics specialized to particular fields of study. Here, we refine metrics from the JUST-R framework to enhance its applicability to photovoltaic (PV) materials research. Metrics are reorganized to align with aspects of the research process (e.g., research team or source materials). For most metrics, baseline values are suggested to enable researchers to compare their project to competing technologies or standards at their institutions. These refinements are integrated into a tool to facilitate easier understanding and evaluation of justice considerations in early-stage PV research, which can serve as a template for evaluating other energy technologies. Graphical abstract

14 SOLAR ENERGY↗

Theory-guided experimental design in battery materials research

A reliable energy storage ecosystem is imperative for a renewable energy future, and continued research is needed to develop promising rechargeable battery chemistries. To this end, better theoretical and experimental understanding of electrochemical mechanisms and structure-property relationships will allow us to accelerate the development of safer batteries with higher energy densities and longer lifetimes. This Review discusses the interplay between theory and experiment in battery materials research, enabling us to not only uncover hitherto unknown mechanisms but also rationally design more promising electrode and electrolyte materials. We examine specific case studies of theory-guided experimental design in lithium-ion, lithium-metal, sodium-metal, and all-solid-state batteries. We also offer insights into how this framework can be extended to multivalent batteries. To close the loop, we outline recent efforts in coupling machine learning with high-throughput computations and experiments. Last, recommendations for effective collaboration between theorists and experimentalists are provided.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Feasibility Study of Cargo Airship Transportation Systems Powered by New Green Energy Technologies

The development of transportation systems that use new and sustainable energy technologies is of utmost importance due to the possible future shortfalls that current transportation modes will encounter because of increased volume and costs. The introduction and further research and development of new transportation and energy systems by materials researchers at the National Aeronautics and Space Administration (NASA) Langley Research Center (LaRC) and the Department of Transportation are discussed in this Technical Memorandum. In this preliminary study, airship concepts were assessed for cargo transportation using various green energy technologies capable of 24-hour operation (i.e., night and day). Two prototype airships were successfully constructed and tested at LaRC to demonstrate their feasibility: one with commercially available solar cells for operation during the daytime and one with microwave rectennas (i.e., rectifying antennas) developed in-house for night-time operation. The test results indicate the feasibility of a cargo transportation airship powered by new green energy sources and wireless power technology. Future applications will exploit new green energy sources that use materials and devices recently developed or are in the process of being developed at LaRC. These include quantum well SiGe solar cells; low, mid-, and high temperature thermoelectric modules; and wireless microwave and optical rectenna devices. This study examines the need and development of new energy sources for transportation, including the current status of research, materials, and potential applications.

Skuza, Jonathan R.↗

Synthetic data-driven deep learning for label-free autonomous atomic force microscopy

Atomic force microscopy (AFM) is a widely used tool for nanoscale characterization across materials science, energy research, and biology. However, its adoption in high-throughput materials discovery and statistically driven studies remains limited by a strong dependence on expert operator input and by the scarcity of annotated experimental AFM datasets needed to enable data-driven automation. Here, we introduce SimuScan, a synthetic-data–driven framework that enables reliable AFM feature identification, segmentation, and targeted imaging without requiring large manually labeled experimental datasets. SimuScan generates tunable, high-fidelity synthetic AFM images of defined morphologies while incorporating realistic experimental artifacts, including tip–sample convolution, noise, flattening distortions, and surface debris. These datasets are shown to support scalable, label-free training of modern deep learning models for AFM analysis. When integrated into data-driven AFM workflows, SimuScan-trained models can locate and analyze nanoscale structures across large datasets and guide targeted follow-up imaging. We validate this approach on nanostructured surfaces, DNA assemblies, and bacterial cells, demonstrating robust generalization across diverse sample types with minimal operator intervention. More broadly, this work establishes a general strategy for generating explicitly conditioned, task-relevant synthetic data to improve the reliability of downstream models in autonomous microscopy.

Millan-Solsona, Ruben [Oak Ridge National Laborato↗

Developing and Evaluating Energy Justice Metrics for Early-Stage Materials Research

Materials science is a central component of early-stage research and development of virtually all clean energy technologies. But as much as material breakthroughs often hold the key to high efficiencies, long lifetimes, and high stability in eventual devices, early-stage choices about material types, structures, and processing can also serve to lock in long-term social and equity impacts of deployed energy technologies. Thus, to achieve a just and sustainable energy transition, tools to assess the energy justice impacts of early-stage materials research are critical. Here, we discuss development of the Justice Underpinning Science and Technology Research (JUST-R) metrics framework - a suite of metrics targeted at early-stage researchers to assess energy justice considerations in their work. The framework is evaluated for its appeal to researchers and effectiveness at promoting integration of energy justice into research through case studies, which reveal its ability to broaden researcher perspectives and key avenues for future improvement.

energy justice↗

Accelerating Biomimetic Solar - Energy Harvesting: Mapping the Interaction Landscape of Plasmonic-Excitonic Hybrid Nanosystems (Final Report)

In general, excitonic and plasmonic nanoscale materials in close proximity show high potential for significant breakthroughs in energy related materials research. The interactions between these two kinds of materials result in coupled optical transitions (plexcitons), distinct from those of both the individual exciton and plasmon as well as from those of the sum of their constituents (synergistic effects). By linking together materials-research and physical-research approaches, this project contributes to a concerted approach on nanomaterials energy research. The project’s overall goal is to accelerate the development of well-defined plexcitonic model systems consisting of carefully engineered plasmonic and excitonic nanomaterial— essential for both gaining a fundamental understanding of plexcitonic nanomaterials and the development of novel design principles for biomimetic solar energy harvesting. During the 3-year project period and the terminal renewal with limited support for a 12-month period, we successfully synthesized and characterized (1) a robust excitonic nanomaterial and (2) a library of plasmonic nanoparticles as well as developed (3) a microfluidic platform for homogenous nanosynthesis as summarized below: (1) Robust Excitonic Nanomaterial. Supramolecular assemblies are Nature’s most successful material system for solar energy harvesting. However, photovoltaic devices based on artificial supramolecular assemblies continue to be stymied by disappointing efficiencies and poor stability. The conceptual failure may lie in current solar cell architectures, which rely on solidifying supramolecular assemblies as an ensemble into a solid matrix, neglecting the intrinsic fragility of the assemblies’ internal structure, thus disrupting or even destroying their delicate optoelectronic properties, that is, delicate Frenkel excitonic properties. Supramolecular assemblies may finally serve as usable light harvesting material systems for solar energy conversion technologies, only if they meet the following criteria: (a) Stability, that is, the fragile structure including its delicate Frenkel excitonic character needs to be stable, (b) Robustness, that is, resistant against elevated and fluctuating temperatures, and (c) Viability for device integration, that is, capable of being immobilized onto solid substrates. Here, by developing a nanocomposite via a tunable, cage-like scaffold design, we successfully provided stable supramolecular nanocomposites, that inhabit robust Frenkel excitons despite harming environmental conditions such as extreme heat stress. (2) Library of Plasmonic Nanoparticles. Naturally, current models describing plasmonic hybrid quantum states—plasmonic hybridizations—parallel those developed for molecular orbitals, equating individual plasmonic nanostructures with “atoms” and the plasmonic nanoassemblies with “molecules.” In analogy to organic synthesis, a suitably robust fabrication method would allow for “atom-like” manipulation of “molecule-like” plasmonic nanoassemblies; of high value for next-generation energy nanotechnologies. Despite this frequent comparison, current plasmonic nanoassembly fabrication methods favor top-down templating over wet-chemical synthesis, however, achieving precise control over nanostructure’s geometry and surface characteristics remain an art and a scientific challenge. The conceptual failure may lie in the current wet-chemical synthesis paradigm, as it relies on the accessibility of a multi-dimensional synthesis parameter space through limited, rather one-dimensional synthesis procedures by employing step-by-step approaches. Solution-based nanoarchitectonics for rational design of precisely built plasmonic nanoassemblies via solution-based fabrication may finally be possible only if multi-dimensional syntheses approaches are available that allow for comprehensive control over the plasmonic nanomaterials’ (a) Structural Properties and (b) Surface Properties. Here, by developing an innovative multidimensional 1,3-propanediol based polyol synthesis, we successfully provided control over the plasmonic building-block’s geometry (size and shape) together with its surface characteristics. Our results present a critical step toward the vision of a “periodic table-like” system for plasmonic materials based on straightforward wet-chemical syntheses for energy nanotechnologies. Developing deliberate modifications on this synthesis, we generated a library of plasmonic nanostructures covering the vast parameter space—opening the door for fundamental investigation of plexcitonic model systems. (3) Microfluidic Platform for Homogenous Nanosynthesis. Control over structural properties of plexcitonic nanocomposites remains a challenge due to current limitations in nanosynthesis techniques. Slight variations in nanostructure’s geometry impact their optoelectronic properties, demanding precise synthesis beyond the capabilities of solution-based (batch) synthesis processes. In contrast, the small, confined liquid volumes used in microfluidics—a reaction technique where the manipulation of fluids takes place in channels with dimensions of tens of micrometers—allows for homogenous synthesis conditions, providing excellent control of the reaction and, as a result, of the materials’ geopmetry and composition. However, thus far, the majority of plexcitonic systems has been developed via batch synthesis. Here, by successfully developing a two-channel microreactor, our microfluidic-supported synthesis approach combines the advantages of both microfluidics and batch platforms, allowing for precise spatio-temporal control over all synthesis parameters opening the possibility for homogenous nanosythnesis of well-defined plexcitonic model systems.

14 SOLAR ENERGY↗

Research on high energy density capacitor materials

The Pulsed Plasma thruster is the simplest of all electric propulsion devices. It is a pulsed device which stores energy in capacitors for each pulse. The lifetimes and energy densities of these capacitors are critical parameters to the continued use of these thrusters. This report presents the result of a research effort conducted by JPL into the materials used in capacitors and the modes of failure. The dominant failure mechanism was determined to be material breakdown precipitated by heat build-up within the capacitors. The presence of unwanted gas was identified as the source of the heat. An aging phenomena was discovered in polycarbonate based capacitors. CO build-up was noted to increase with the number of times the capacitor had been discharged. Improved quality control was cited as being essential for the improvement of capacitor lifetimes.

Somoano, Robert↗

A review on machine learning-guided design of energy materials

Abstract The development and design of energy materials are essential for improving the efficiency, sustainability, and durability of energy systems to address climate change issues. However, optimizing and developing energy materials can be challenging due to large and complex search spaces. With the advancements in computational power and algorithms over the past decade, machine learning (ML) techniques are being widely applied in various industrial and research areas for different purposes. The energy material community has increasingly leveraged ML to accelerate property predictions and design processes. This article aims to provide a comprehensive review of research in different energy material fields that employ ML techniques. It begins with foundational concepts and a broad overview of ML applications in energy material research, followed by examples of successful ML applications in energy material design. We also discuss the current challenges of ML in energy material design and our perspectives. Our viewpoint is that ML will be an integral component of energy materials research, but data scarcity, lack of tailored ML algorithms, and challenges in experimentally realizing ML-predicted candidates are major barriers that still need to be overcome.

36 MATERIALS SCIENCE↗

High-Peak-Power Long-Wave Infrared Lasers with CO2 Amplifiers

Long-wave infrared (LWIR) picosecond pulses with multi-terawatt peak power have recently become available for advanced high-energy physics and material research. Multi-joule pulse energy is achieved in an LWIR laser system via amplification of a microjoule seed pulse with high-pressure, mixed-isotope CO 2 amplifiers. A chirped-pulse amplification (CPA) scheme is employed in such a laser to reduce the nonlinear interaction between the optical field and the transmissive elements of the system. Presently, a research and development effort is underway towards an even higher LWIR peak power that is required, for instance, for promising particle acceleration schemes. The required boost of the peak power can be achieved by reducing the pulse duration to fractions of a picosecond. For this purpose, the possibility of reducing the gain narrowing in the laser amplifiers and post-compression techniques are being studied. Another direction in research is aimed at the increased throughput (i.e., repetition rate), efficiency, and reliability of LWIR laser systems. The transition from a traditional electric-discharge pumping to an optical pumping scheme for CO 2 amplifiers is expected to improve the robustness of high-peak-power LWIR lasers, making them suitable for broad implementation in scientific laboratory, industrial, and clinical environments.

43 PARTICLE ACCELERATORS↗

Photon-shot-noise-limited transient absorption soft X-ray spectroscopy at the European XFEL

Femtosecond transient soft X-ray absorption spectroscopy (XAS) is a very promising technique that can be employed at X-ray free-electron lasers (FELs) to investigate out-of-equilibrium dynamics for material and energy research. Here, a dedicated setup for soft X-rays available at the Spectroscopy and Coherent Scattering (SCS) instrument at the European X-ray Free-Electron Laser (European XFEL) is presented. It consists of a beam-splitting off-axis zone plate (BOZ) used in transmission to create three copies of the incoming beam, which are used to measure the transmitted intensity through the excited and unexcited sample, as well as to monitor the incoming intensity. Since these three intensity signals are detected shot by shot and simultaneously, this setup allows normalized shot-by-shot analysis of the transmission. For photon detection, an imaging detector capable of recording up to 800 images at 4.5 MHz frame rate during the FEL burst is employed, and allows a photon-shot-noise-limited sensitivity to be approached. The setup and its capabilities are reviewed as well as the online and offline analysis tools provided to users.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗