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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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At least 721 records · Page 40
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

Tuning the 3D Printability and Thermomechanical Properties of Radiation Shields

Additive manufacturing, with its rapid advances in materials science, allows for researchers and companies to have the ability to create novel formulations and final parts that would have been difficult or near impossible to fabricate with traditional manufacturing methods. One such 3D printing technology, direct ink writing, is especially advantageous in fields requiring customizable parts with high amounts of functional fillers. Nuclear technology is a prime example of a field that necessitates new material design with regard to unique parts that also provide radiation shielding. Indeed, much effort has been focused on developing new rigid radiation shielding components, but DIW remains a less explored technology with a lot of potential for nuclear applications. In this study, DIW formulations that can behave as radiation shields were developed and were printed with varying amounts of porosity to tune the thermomechanical performance.

36 MATERIALS SCIENCE↗
DOE OSTI2020

A Review and Perspective on Cathodoluminescence Analysis of Halide Perovskites

Halide perovskite solar cells have achieved a certified efficiency of 25.2%, surpassing CdTe and CuInGaSe 2 , which have long been regarded as the most-efficient thin-film photovoltaic materials. As this exciting class of materials continues to mature, researchers will require characterization techniques capable of exposing the interplay among structure, chemistry, and optoelectronic properties to inform processing strategies and increase both device efficiencies and long-term stability. Cathodoluminescence microscopy is an ideal technique to provide such information due to the high spatial resolution and robust optical information acquired. Here, the current body of work related to cathodoluminescence analysis of halide perovskite materials for optoelectronic applications is surveyed. This review demonstrates how cathodoluminescence can monitor degradation due to environmental stressors, phase segregation resulting from material processing, and other halide perovskite-centric material issues. A persistent concern associated with e-beam-based analysis of halide perovskites is what effect the electron beam has on the material properties being probed. Addressing this, a detailed discussion is provided on the origin of the cathodoluminescence signal and a review of studies focused on revealing changes in the properties of halide perovskites resulting from e-beam excitation. Finally, a perspective on future opportunities to expand the role of cathodoluminescence analysis for halide perovskites is provided.

14 SOLAR ENERGY↗
DOE OSTI2022

Neutron Source Facility of the National Science Center “Kharkiv Institute of Physics and Technology” at Kharkiv, Ukraine

Argonne National Laboratory developed, designed, and supported the construction of a state-of-the-art Neutron Source Facility (NSF) at the Kharkov Institute of Physics and Technology (KIPT) in Kharkov Ukraine, under the U.S. DOE NNSA Russian Research Reactor Fuel Return (RRRFR) program. Ukraine approved the return of all highly enriched uranium in the country to Russia prior to the 2012 Nuclear Security Summit in return for the RRRFR program to fund the development, the design, and the construction of the NSF. The facility is designed to produce medical isotopes, train nuclear professionals, support the Ukrainian nuclear industry, and provide experimental capabilities for performing reactor physics, materials, and basic science research. The NSF was successfully started and operated in August 2021. The NSF is the first facility of this type in the world, and it will be used to understand the physics of driven systems for energy production and the disposal of spent nuclear fuels. The NSF consists of a subcritical assembly using low enriched uranium (LEU) fuel driven with an electron accelerator. The NSF target design utilizes tungsten or natural uranium for producing neutrons through photonuclear reactions using 100-MeV electrons. The accelerator power is 100 KW, which produces 3x10 14 neutrons per second from the uranium target. The subcritical assembly is designed to obtain the highest possible neutron flux intensity with an effective neutron multiplication factor of less than 0.98. Passive safety, reliability, and environmental considerations were included in the NSF design. The NSF utilization study shows that this neutron source has the capability of producing different medical isotopes. Several horizontal neutron channels are incorporated for performing applied and basic research. The NSF is configured to accommodate future design upgrades and new missions. The facility design was approved by the Ukraine Academy of Sciences before starting the NSF construction. The construction, the equipment installation, and the operation of the different systems of the NSF were completed and approved by the Ukrainian regulators. In July 2020, the State Nuclear Regulatory Inspectorate of Ukraine (SNRIU) issued a license for the physical startup of the NSF. The construction of facility was completed in early 2021.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2022

Mining Air for Fuels and Fine Chemicals

The Intergovernmental Panel on Climate Change’s 2021 report underscores that Direct Air Capture (DAC) is an essential component to limiting global warming to 2 °C, yet separating CO 2 from air and its subsequent concentration for conversion into carbon neutral fuels/chemicals or permanent storage remains energy intensive and costly. Further, most DAC technologies rely on repetitive capture and release cycles that reduces the amount of time the DAC materials are able to collect CO 2 and increases wear and tear. Moisture swing (MS) sorption within anion exchange materials utilizes differences in relative humidity to capture and concentrate CO 2 up to 500-fold with negligible energy inputs and low-cost sorbents. Molecular modeling predicts that membranes with a dry and wet side would actively transport CO 2 from its dry side to its wet side against a counter flow of H 2 O evaporating on the dry side, however, existing MS materials are too brittle to be processed into membranes to test this hypothesis. This project brought together experts in DAC materials and design, techno-economic analysis and project management at Arizona State University (ASU), polymer processing at University of Texas at Austin (UTA) and modeling gas transport and exchange at Norther Arizona University (NAU) to develop hollow fiber membranes that use energy from water evaporation to continuously pump CO 2 from air against a concentration gradient to the membranes interior and requiring significantly less energy than current DAC technologies. While this project did not meet its ultimate objectives of demonstrating an active CO 2 pumping membrane, a number of key accomplishments were made in developing low-cost, flexible anion exchange membranes (AEM) at 3.5 m 2 scale, characterizing the ionic and molecular transport within MS materials, and developing several analytical and mathematical models of the MS and pumping process leading to new fundamental knowledge about key rate limiting steps of CO 2 flux in anion exchange membranes at low water activity. Technoeconomic models show that if CO 2 fluxes ≥ 25 µmol CO 2 m -2 s -1 (membrane surface area) are achieved that cost ≤ $\$$100/tonne CO 2 captured, purified and compressed to pipeline quality is possible. The knowledge gained in this research will guide future research in developing new materials toward overcoming these rate limiting steps that in turn could enable transformative and disruptive DAC technologies needed for capturing gigatons of CO 2 per year needed to limiting global warming to 2 °C.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2026

Predicting Band-Gap of Inorganic Materials Using Neuromorphic Graph Learning

Predicting properties of inorganic materials is a heavily researched topic, with several new prediction approaches emerging as competitors. One such competitor is graph neural networks, which leverage the structure of the graph to aid in the prediction process. In this work, we propose integration of neuromorphic computation into the graph neural network pipeline. We call this approach Neuromorphic Graph Learning (NGL). We utilize the NGL approach to leverage evolutionary algorithms and a novel Spike Pipeline for Raster Analysis (SPIRE) for the prediction of band gap in inorganic materials.

Mulet, Ian [University of Tennessee (UT)]↗
DOE OSTI2024

Hybrid Composite Materials and Manufacturing: Fibers, Nano-Fillers and Integrated Additive Processes

This book explores the research and advancements in hybrid composite materials and manufacturing techniques. It encompasses a wide array of subjects, such as hybrid materials, advanced manufacturing processes, and nanocomposites. A distinctive feature of this book is its in-depth examination of recent trends in integrated processes, where traditional manufacturing methods are combined with cutting-edge techniques. Our aim is to equip readers with a comprehensive understanding of the current landscape and future potential of hybrid composites, ensuring they remain informed and up-to-date with the latest developments in the field.

Kumar, Vipin [ORNL] (ORCID:0000000295807098)↗
DOE OSTI2021

Surface Zeta Potential of ALD-Grown Metal-Oxide Films

Membranes are among the most promising technologies for energy-efficient and highly selective separations, and the surface-charge property of membranes plays a critical role in their broad applications. Atomic layer deposition (ALD) can deposit materials uniformly and with high precision and controllability on arbitrarily complex and large substrates, which renders it a promising method to tune the electrostatics of water/solid interfaces. However, a systematic study of surface-charge properties of ALD-grown films in aqueous environments is still lacking. In this work, 17 ALD-grown metal-oxide films are synthesized, and a comprehensive study of their water stability, wetting properties, and surface-charge properties is provided. Furthermore, this work represents a resource guide for researchers and ultimately for materials and process engineers, seeking to tailor interfacial charge properties of membranes and other porous water treatment components.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2020

High-Energy Coherent X-Ray Dffraction Microscopy of Polycrystal Grains: First Steps Towards a Multi-Scale Approach

Here, we present proof-of-concept imaging measurements of a polycrystalline material that integrate the elements of conventional high-energy x-ray diffraction microscopy with coherent diffraction-imaging techniques, and that can enable in situ strain-sensitive imaging of lattice structure in ensembles of deeply embedded crystals over five decades of length scale upon full realization. We demonstrate that the combination of these two characterization methods enables a more complete picture of the crystal-lattice strain than either method is capable of providing individually. Such complementary imaging capabilities are critical to addressing questions in a variety of research areas such as materials science and engineering, chemistry, and solid-state physics. Towards this eventual goal, the following key aspects are demonstrated: (1) high-energy Bragg coherent diffraction imaging (HE BCDI) of submicron-scale crystallites at 52 keV at current third-generation synchrotron light sources, (2) HE BCDI performed in conjunction with far-field high-energy diffraction microscopy (FF HEDM) on the grains of a polycrystalline sample in a smoothly integrated manner, and (3) the orientation information of an ensemble of grains obtained via FF HEDM used to perform complementary HE BCDI on multiple Bragg reflections of a single targeted grain. The imaged structures are seen to be 477 ± 50 nm or smaller in size, with an estimated strain resolution of 2.5 x 10 -4 . These steps lay the foundation for integration of HE BCDI, which typically provides a spatial resolution tens of nanometers, into a broad suite of well-established HEDM methods, extending HEDM beyond the few-micrometer resolution bound and into the nanoscale, and positioning the approach to take full advantage of the orders-of-magnitude improvement of x-ray coherence expected at fourth-generation light sources presently being built and commissioned worldwide.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2023

Near-field terahertz nonlinear optics with blue light

Abstract The coupling of terahertz optical techniques to scattering-type scanning near-field microscopy (s-SNOM) has recently emerged as a valuable new paradigm for probing the properties of semiconductors and other materials on the nanoscale. Researchers have demonstrated a family of related techniques, including terahertz nanoscopy (elastic scattering, based on linear optics), time-resolved methods, and nanoscale terahertz emission spectroscopy. However, as with nearly all examples of s-SNOM since the technique’s inception in the mid-1990s, the wavelength of the optical source coupled to the near-field tip is long, usually at energies of 2.5 eV or less. Challenges in coupling of shorter wavelengths (i.e., blue light) to the nanotip has greatly inhibited the study of nanoscale phenomena in wide bandgap materials such as Si and GaN. Here, we describe the first experimental demonstration of s-SNOM using blue light. With femtosecond pulses at 410 nm, we generate terahertz pulses directly from bulk silicon, spatially resolved with nanoscale resolution, and show that these signals provide spectroscopic information that cannot be obtained using near-infrared excitation. We develop a new theoretical framework to account for this nonlinear interaction, which enables accurate extraction of material parameters. This work establishes a new realm of possibilities for the study of technologically relevant wide-bandgap materials using s-SNOM methods.

47 OTHER INSTRUMENTATION↗
DOE OSTI2023

Exploring finite temperature properties of materials with quantum computers

Abstract Thermal properties of nanomaterials are crucial to not only improving our fundamental understanding of condensed matter systems, but also to developing novel materials for applications spanning research and industry. Since quantum effects arise at the nano-scale, these systems are difficult to simulate on classical computers. Quantum computers can efficiently simulate quantum many-body systems, yet current quantum algorithms for calculating thermal properties of these systems incur significant computational costs in that they either prepare the full thermal state on the quantum computer, or they must sample a number of pure states from a distribution that grows with system size. Canonical thermal pure quantum (TPQ) states provide a promising path to estimating thermal properties of quantum materials as they neither require preparation of the full thermal state nor require a growing number of samples with system size. Here, we present an algorithm for preparing canonical TPQ states on quantum computers. We compare three different circuit implementations for the algorithm and demonstrate their capabilities in estimating thermal properties of quantum materials. Due to its increasing accuracy with system size and flexibility in implementation, we anticipate that this method will enable finite temperature explorations of relevant quantum materials on near-term quantum computers.

36 MATERIALS SCIENCE↗
DOE OSTI2026

Chemical and Radiological Compatibility Testing of 3D Printed Materials

To dramatically increase the adaptability, performance, and safety of processes in support of the Defense Waste Processing Facility (DWPF), Savannah River National Lab (SRNL) plans to perform chemical and radiological compatibility testing on a wide variety of 3D printed materials of interest. The 3D printing process provides numerous strategic operational benefits such as rapid prototyping of complex designs and geometry specific to the needs of the nuclear waste disposition process, as well as on-demand rapid prototyping and iteration with materials that aren’t as accessible through traditional manufacturing methods. Reaction chemistry in simulated waste batches can be matched closely to its radioactive counterpart, but glass reactor vessels have limitations. Vessel geometry can play a big factor in mixing transport limitations, process chemistry, and degradation reaction kinetics. In addition, additive manufacturing allows for much more detailed vessel design than traditional alternatives. Waste processing techniques in DWPF also encounter extreme chemical environments including high pH, strong acids, abrasive slurries, and significant irradiation. To meet these challenges, a matrix of various polymer, ceramic, and metal additive manufacturing materials have been exposed to a suite of chemical environments of interest as well as radioactive dose (such as gamma radiation from 60 Co) to properly test their durability under these conditions. Mass change has been monitored over a period of up to a week in these conditions, as well as added characterization for surface modification through Scanning Electron Microscopy/Electron Dispersive X-ray analysis (SEM/EDX). Further chemical characterization has been monitored through Fourier-Transform InfraRed Spectroscopy (FTIR), with planned investigation via thermal and tensile strength degradation. While the direct product of this research is identification of material(s) that can withstand specific hazardous environments encountered by the mercury water wash tank in DWPF process simulation experiments, the reference base of materials will be used for many other nuclear processes in the pursuit of rapidly developed, cost-efficient, and highly specific devices for environmental remediation and much more.

Wilson, Nathan W. [Savannah River National Laborat↗
DOE OSTI2025

Soft phonon and the central peak at the cubic-to-tetragonal phase transition in SrTiO 3

The continuous displacive phase transition in SrTiO 3 near 𝑇 𝑐 ≈105 K features a central elastic peak in neutron-scattering investigations at temperatures above 𝑇 𝑐 , i.e., before the corresponding soft phonon mode is overdamped upon cooling. The origin of this central peak is still not understood. Here, in this work, we report an inelastic x-ray scattering investigation of the cubic-to-tetragonal phase transition in SrTiO 3 . We compare quantitatively measurements of the soft phonon mode on two differently grown samples and discuss the findings regarding results from thermodynamic and transport probes such as specific heat and thermal conductivity. Furthermore, we use inelastic x-ray scattering to perform elastic scans with both high momentum and milli-electronvolt energy-resolution and, thus, are able to separate elastic intensities of the central peak from low-energy quasielastic phonon scattering. Our results indicate that the evolution of the soft mode is similar in both samples though the intensities of the central peak differ by a factor of four. Measurements revealing anisotropic correlation lengths on cooling towards 𝑇 𝑐 , indicate that local properties of the crystals to which collective lattice excitations are insensitive are likely at the origin of the central elastic line in SrTiO 3 .

anharmonic lattice dynamics↗
DOE OSTI2026

Influence of Disorder on the Electronic Properties and Magnetotransport of Ti 3 C 2 T x Single-Flake Devices

The exploration of MXenes for electronic applications is a rapidly growing field in materials science. However, most research has focused on MXene films, with only a limited number of studies addressing the characterization of single-flake devices. In this work, we investigate the electronic and magnetotransport properties of Ti 3 C 2 T x single-flake devices, exploring the influence of structural defectivity on their transport mechanisms. We show that negative magnetoresistance present at low temperatures in single flake samples arises from weak localization, which we analyze to extract the phase coherence length of single-layer and multi-layer flakes. The study of magnetoresistance for this metallic MXene shows that the material exhibits quantum transport phenomena when intrinsic electronic behavior dominates. Moreover, by increasing the defect density via thermal annealing in ultrahigh vacuum, we uncover and characterize the metal-to-disordered metal transition in Ti 3 C 2 T x , shedding light on new properties and enriching fundamental knowledge about MXenes.

MXenes↗
DOE OSTI2020

Room-temperature skyrmion phase in bulk Cu 2 OSeO 3 under high pressures

Significance Skyrmion materials hold great promise for information technology due to the extremely low current needed to modify the spin configurations and the small size of magnetic domains. To facilitate their application, one great challenge is to break the magnetic field–temperature phase space restriction for the skyrmion state. We found that the temperature region for the skyrmion phase in bulk Cu 2 OSeO 3 can be greatly enhanced under physical pressure, making applications more practical by the use of strained heterostructures, for example. The observation of additional structures suggests that the skyrmion state may be insensitive to the underlying crystal structure. This work will stimulate research on finding skyrmion materials with different crystal structures and retaining the room-temperature skyrmion state at ambient condition.

Deng, Liangzi↗
DOE OSTI2024

Electric Motor Thermal Management

The poster reports the accomplishments of EDT-Electric Motor Thermal Management consortium project for 2024 VTO Annual Merit Review (AMR). The overall aims of the project are to support research enabling compact, reliable, low-cost, and efficient electric machines aligned with roadmap research areas; to collaborate with ORNL, Ames, and SNL to provide motor thermal analysis support, reliability evaluation, and material measurements on related motor research at national laboratories; and collaborate with university partners including Georgia Institute of Technology and University of Wisconsin Madison to support university-led motor thermal management research efforts.

ADVANCED PROPULSION SYSTEMS↗
DOE OSTI2023

Leveraging the Polymer Glass Transition to Access Thermally Switchable Shear Jamming Suspensions

Suspensions of polymeric nano-and microparticles are fascinating stress-responsive material systems that, depending on their composition, can display a diverse range of flow properties under shear, such as drastic thinning, thickening, and even jamming (reversible solidification driven by shear). However, investigations to date have almost exclusively focused on nonresponsive particles, which do not allow in situ tuning of the flow properties. Polymeric materials possess rich phase transitions that can be directly tuned by their chemical structures, which has enabled researchers to engineer versatile adaptive materials that can respond to targeted external stimuli. Reported herein are suspensions of (readily prepared) micrometer-sized polymeric particles with accessible glass transition temperatures (T g ) designed to thermally control their non-Newtonian rheology. The underlying mechanical stiffness and interparticle friction between particles change dramatically near T g . Capitalizing on these properties, it is shown that, in contrast to conventional systems, a dramatic and nonmonotonic change in shear thickening occurs as the suspensions transition through the particles' T g . This straightforward strategy enables the in situ turning on (or off) of the system's ability to shear jam by varying the temperature relative to T g and lays the groundwork for other types of stimuli-responsive jamming systems through polymer chemistry.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗