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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 523 records · Page 29
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

Magnetoelastic coupling and spin contributions to entropy and thermal transport in biferroic yttrium orthochromite

Direct engineering of material properties through exploitation of spin, phonon, and charge-coupled degrees of freedom is an active area of development in materials science. However, the relative contribution of the competing orders to controlling the desired behavior is challenging to decipher. In particular, the independent role of phonons, magnons, and electrons, quasiparticle coupling, and relative contributions to the phase transition free energy largely remain unexplored, especially for magnetic phase transitions. Here, we study the lattice and magnetic dynamics of biferroic yttrium orthochromite using Raman, infrared, and inelastic neutron spectroscopy techniques, supporting our experimental results with first-principles lattice dynamics and spin-wave simulations across the antiferromagnetic transition at T N ~ 138 K. Spectroscopy data and simulations together with the heat capacity (C p ) measurements, allow us to quantify individual entropic contributions from phonons (0.01 ± 0.01k B atom -1 ), dilational (0.03 ± 0.01k B atom -1 ), and magnons (0.11 ± 0.01k B atom -1 ) across TN. High-resolution phonon measurements conducted in a magnetic field show that anomalous T-dependence of phonon energies across TN originates from magnetoelastic coupling. Additionally, phonon scattering is primarily governed by the phonon–phonon coupling, with little contribution from magnon–phonon coupling, short-range spin correlations, or magnetostriction effects; a conclusion further supported by our thermal conductivity measurements conducted up to 14 T, and phenomenological modeling.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2023

Multifunctional Effect of Fe Substitution in Na Layered Cathode Materials for Enhanced Storage Stability

In this study, developing stable cathode materials that are resistant to storage degradation is essential for practical development and industrial processing of Na-ion batteries, as many sodium layered oxide materials are susceptible to hygroscopicity and instability when exposed to ambient air. Among the various layered compounds, Fe-substituted O 3 -type Na(Ni 1/2 Mn 1/2 ) 1-x Fe x O 2 materials have emerged as a promising option for high-performance and low-cost cathodes. While previous reports have noted the decent air-storage stability of these materials, the role and origin of Fe substitution in improving storage stability remain unclear. In this study, we investigate the air resistant effect of Fe substitution in O 3 -Na(Ni 1/2 Mn 1/2 ) 1-x Fe x O 2 cathode materials by performing systematic surface and structural characterizations. We find that the improved storage stability can be attributed to the multifunctional effect of Fe substitution, which forms a surface protective layer containing an Fe-incorporated spinel phase and decreases the thermodynamical driving force for bulk chemical sodium extraction. With these mechanisms, the Fe-containing cathodes can suppress the cascades of cathode degradation processes and better retain the electrochemical performance after air storage.

25 ENERGY STORAGE↗
DOE OSTI2023

Recent advancements in high performance polymer electrolyte fuel cell electrode fabrication – Novel materials and manufacturing processes

The global effort to introduce polymer electrolyte fuel cells for clean and renewable energy to the market is increasing the demand for high performance, robust and affordable membrane electrode assemblies (MEAs). There is not yet a standard method for large scale production of MEAs, or the methods employed are generally unsatisfactory in terms of quality and performance. A large number of published data of newly developed catalyst and electrolyte materials, claim to improve the state of the art, but are often not fully comparable due to different experimental studies and experimental designs. This article summarizes the trends in material developments and emerging MEA-manufacturing techniques. The materials and techniques are systematically compared in terms of cell performance and scalability. Current and future scientific challenges are identified and analysed based on published findings over the past five years. Finally, the results of the cited papers have been quantitatively compared to each other and to the internal benchmarks used in each cited work to provide a complete picture of the state of the art in PEFC MEA manufacturing.

25 ENERGY STORAGE↗
DOE OSTI2021

Microfluidic Liquid-Liquid Extraction Chip with Integrated Raman Sensors (Phase I and Phase II Final Report)

As demand for electricity continues to increase worldwide, the world’s nuclear power generating capacity will continue to grow. Nuclear power is the most environmentally benign way of producing electricity on a large scale. The long-term successful use of nuclear power, however, is critically dependent upon adequate and safe processing and disposal of spent nuclear fuels. A very important feature of nuclear energy is that spent fuels can be reprocessed to recover fissile and fertile materials that can then be used as fresh fuel for nuclear power plants. The DOE-NE Fuel Cycle Research and Development (FCR&D) is currently developing nuclear material reprocessing technologies. In a typical nuclear fuel reprocessing system, centrifugal contactors are used as liquid-liquid extraction devices where two immiscible liquids are mixed at high speeds using a rotor, which creates a fine dispersion of droplets of organic phase in an aqueous phase that contains the analyte. Understanding the extraction efficiency at these contactors through modeling and simulation is important in the development of reprocessing technologies and the optimization of current technologies such as the PUREX process. The outcome of this program will be a liquid-liquid microfluidic flow cell chip with embedded spectroscopic sensors for the analysis of extracted analytes. This device will be useful in the optimization of new fuel reprocessing schemes as well as existing reprocessing processes by providing a microfluidic modeling platform to optimize extraction parameters. The Phase I and Phase II work developed a microfluidic chip design that allows integration of Raman and absorption fiber optic probes and successfully demonstrated the feasibility of using Raman and absorption probes to detect key analytes that partition into the aqueous and organic phases.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2023

Sustainable Li-ion anode material from Fe-catalyzed graphitization of paper waste

We report a novel method for the conversion of paper towel waste to biographite anode material is developed and optimized for use in Li-ion batteries. The surge in demand for Li-ion battery anode materials coupled with the unsustainable and inefficient methods of producing battery-grade graphite necessitate alternative carbon feedstocks and graphitization technologies. Paper waste (PW) is identified as a suitable carbon feedstock for iron-catalyzed graphitization due to its sustainability, low cost, low ash content, and ample supply for the intended end use. A Box Behnken experimental design for statistical optimization is pursued for untreated and pre-carbonized PW with factors of temperature (1100-1300 °C), hold time (1-5 h), and iron catalyst loading (0.5-1.5x fixed carbon content) with biographite crystal size as the primary response variable. Temperature and iron catalyst loading are found to be significant factors, whereas hold time is found to be insignificant. Reversible capacities of the biographite anodes are found to be 340-355 mAh g-1 with 99% capacity retention over 100 cycles, indicating good electrochemical performance relative to commercial graphite anodes. The initial Coulombic efficiency of untreated and pre-carbonized biographites, however, are 77% and 75%, respectively, suggesting parasitic reactions including electrolyte decomposition.

25 ENERGY STORAGE↗
DOE OSTI2023

Assessing Compatibility of Natural Gas Pipeline Materials with Hydrogen, CO 2 , and Ammonia

Here, in this study, we examine the efficacy of repurposing natural gas (NG) pipelines for transporting hydrogen blends (with NG), ammonia, and CO 2 (gaseous and supercritical) from the standpoint of materials compatibility. Some information pertaining to component performance is also included, especially those components critical for pressurization and monitoring of flow. A listing of critical pipeline components and materials was developed, and their compatibilities was assessed for each fluid or gas type based on known compatibilities. Results indicate that pipeline materials should be suitable for gaseous CO 2 and anhydrous ammonia, but hydrogen blends greater than 12% may be problematic. Current compressor/regulator stations will not be suitable for use with either supercritical CO 2 or ammonia. Important knowledge gaps were identified, including (1) polymer performance with hydrogen/NG blends at low pressures, (2) compressor/regulator station polymers and epoxy coating materials with supercritical CO 2 , and (3) metal performances of hydrogen/NG blends at low pressures.

03 NATURAL GAS↗
DOE OSTI2025

Revealing Phase Heterogeneity in Vertically Aligned Nanocomposites via Plan-View Electron Energy Loss Spectroscopy

Hydrogen utilization in clean energy technologies is challenged by limited storage and transport within materials, owing to the complex hydrogen kinetics at interfaces [1]. Understanding these interfacial mechanisms at the nanoscale is crucial for developing improved materials for hydrogen applications, particularly proton-conducting fuel cells (PCFCs). Vertically aligned nanocomposites (VANs) grown by pulsed laser deposition (PLD) offer a unique platform for investigating the interfacial effects on hydrogen transport due to their well-defined interfaces parallel to the direction of charge transport [2-4]. To investigate hydrogen transport, the two phases within the VANs were chosen as BaZr 0.9 Y 0.1 O 3-x (BZY), a known proton conductor, and Pr 0.1 Ce 0.9 O 2-x (PCO), a mixed ionic-electronic conductor [5]. This PCO-BZY VANs architecture allows the investigation of how the interface between a proton conductor and a mixed conductor influences hydrogen transport. However, because of the small size of hydrogen, it is difficult to discern the nature of its interactions with interfaces from bulk measurements at the macroscale, thus necessitating nanoscale measurements [6]. Electron energy loss spectroscopy (EELS) allows for nanometer-resolution probing of the local atomic structure and chemistry at the BZY/PCO interface. In this study, plan-view analysis of PCO-BZY VANs films was employed to characterize the structure and phase distribution of the VANs and investigate the interface between the nanostructures. The films were imaged using scanning electron microscopy (SEM) in the Hitachi S-4800 SEM, collecting secondary electron images using mixed upper and lower detectors. Then, plan-view transmission electron microscopy (TEM) and scanning transmission electron microscopy (STEM) EELS were employed using a JEOL ARM300 microscope operated at 300kV with a Gatan K3 GIF Continuum detector to study the distribution of the BZY and PCO phases through the film. As a result, spectrum images were acquired at a dispersion of 0.18eV per channel and denoised afterward by principal component analysis (PCA) method.

Griffin, Elizabeth [Northwestern University, Evans↗
DOE OSTI2023

Development of Surveillance Test Articles with Reduced Dimensions and Material Volumes to Support MSR Materials Degradation Management

This report details the efforts toward developing new surveillance test article designs with reduced dimensions and material volumes to support materials surveillance technology development for advanced reactors. Two fabrication methods for the surveillance test articles are described. Welded test articles were fabricated with 316H and A617 materials, and interlocking test articles were fabricated using A709 and titanium-zirconium-molybdenum (TZM). The preliminary results demonstrate the successful design and testing of the flat surveillance test articles. The report also describes ongoing efforts to use an induction heating test setup to increase the heat up and cool down rates in testing the surveillance test articles. A brief description of the planned FY-24 work is provided.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2021

CO 2 Mineralization Using Porous Carbon and Industrial Wastes to Make Multifunctional Concrete

Along with substantial benefits and promises of carbon capture and storage (CCS) technologies, significant challenges exist in developing scalable materials and methods for capture and of CO 2 . The overarching objective of this project is to provide a system approach for developing a new CO 2 capture and utilization technology using porous carbon and industrial wastes to make a low-cost, scalable and multifunctional concrete product. The objective of Phase I of this project is to develop and fine-tune activated carbons from different wastes such as plastic wastes to offer a cheap, abundant and scalable feedstock for CO 2 uptake. The objective of Phase 2 is creating a facile protocol to develop a concrete prototype comprising CO 2 adsorbed activated carbon (e.g. from plastic wastes), followed by product validation, life-cycle analysis, and bench-scale testing. The project objectives are designed to specifically obtain a final product and technology that directly addresses the main goals of the DOE’s CCS programs.

01 COAL, LIGNITE, AND PEAT↗
DOE OSTI2021

Hierarchical Nanomaterials Assembled from Peptoids and Other Sequence-Defined Synthetic Polymers

In nature, the self-assembly of sequence-specific biopolymers into hierarchical structures plays an essential role in the construction of functional biomaterials. To develop synthetic materials that can mimic and surpass the function of these natural counterparts, various sequence-defined bio- and biomimetic polymers have been developed and exploited as building blocks for hierarchical self-assembly. This review summarizes the recent advances in the molecular self-assembly of hierarchical nanomaterials based on peptoids (or poly-N-substituted glycines) and other sequence-defined synthetic polymers. Modern techniques to monitor the assembly mechanisms and characterize the physicochemical properties of these self-assembly systems are highlighted. In addition, discussions about their potential applications in biomedical sciences and renewable energy are also included. Furthermore, this review aims to highlight essential features of sequence-defined synthetic polymers (e.g., high stability and protein-like high-information content) and how these unique features enable the construction of robust biomimetic functional materials with high programmability and predictability, with an emphasis on peptoids and their self-assembled nanomaterials.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2019

Progress Report on An Exascale Computational Simulation Capability for Pervasive Fracture & Failure

How does a structure fail in an explosion? Is there an engineering design opportunity to mitigate the effects of a blast? These are questions that may be addressed with simulation; however, a computational simulation capability to answer these questions must include developments in material physics modeling and numerical algorithms that we believe are possible, but do not yet exist. This LDRD project proposes to develop the physics models and computational approaches to create a computational simulation approach to answer these physics and engineering questions.

42 ENGINEERING↗
DOE OSTI2022

Understanding FLiNaK Salt Intrusion Behavior on Nuclear-Grade Graphite via Neutron Tomography

Graphite is an essential material as a neutron moderator in molten salt reactors (MSRs). To understand the impact of salt on the graphite structure to develop structural materials for MSRs, molten salt intrusion behavior on nuclear-grade graphite was studied. The graphite samples, IG-110 and PCEA, were tested for infiltration with LiF-NaF-KF (FLiNaK) at 750°C, 5 bar for 12 h, and, after the intrusion experiment, the graphite was analyzed by neutron imaging. The graphite and Li from FLiNaK showed great contrast in the neutron attenuation coefficient. Thus, the salt behavior in the graphite structure has been visualized for the first time without damaging the sample. The 3D image of the graphite was reconstructed after a neutron computed tomography scan, and the average salt coverage distribution of the XY surface in different depths was obtained from the reconstructed 3D images.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2024

Design, Fabrication and Testing of Surveillance Test Articles for MSR Materials Degradation Management

This report details the design, fabrication, and testing of surveillance test articles aimed at assessing material damage in reactor-relevant environments for effective degradation management. Two types of surveillance test articles with reduced sizes were developed based on design algorithms and finite element modeling: welded design and interlocking design. A furnace heating setup was adopted to apply multiple thermal cyclic loading profiles on the test articles with a temperature range of 500°C - 700°C, while the strain response was monitored using a digital image correlation technique. The testing results demonstrated the successful capturing of expected strain range for welded design while machining tolerance should be improved to engage strain coupling in the interlocking design. Mid-term (500 hours) and long-term (1500 hours) cyclic tests were conducted on welded test articles. A constant strain range of ~0.6% was observed at the specimen with testing under 500 hours, while a gradual decrease of strain at specimen was observed after 500 hours. Non-destructive evaluation through X-ray computed tomography confirmed the microcracks in the welds at specimen-driver joints after cyclic test that caused the strain change. Creep testing of the specimen after long-term cyclic test revealed a short creep life than expected. A multi-profile cyclic test was also conducted on a test article and demonstrated consistent strain response under different temperature ramp rates. The report also briefly discussed the challenges and future research efforts to advance test article development for material surveillance.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2022

SOMAS: a platform for data-driven material discovery in redox flow battery development

Abstract Aqueous organic redox flow batteries offer an environmentally benign, tunable, and safe route to large-scale energy storage. The energy density is one of the key performance parameters of organic redox flow batteries, which critically depends on the solubility of the redox-active molecule in water. Prediction of aqueous solubility remains a challenge in chemistry. Recently, machine learning models have been developed for molecular properties prediction in chemistry and material science. The fidelity of a machine learning model critically depends on the diversity, accuracy, and abundancy of the training datasets. We build a comprehensive open access organic molecular database “Solubility of Organic Molecules in Aqueous Solution” (SOMAS) containing about 12,000 molecules that covers wider chemical and solubility regimes suitable for aqueous organic redox flow battery development efforts. In addition to experimental solubility, we also provide eight distinctive quantum descriptors including optimized geometry derived from high-throughput density functional theory calculations along with six molecular descriptors for each molecule. SOMAS builds a critical foundation for future efforts in artificial intelligence-based solubility prediction models.

25 ENERGY STORAGE↗
DOE OSTI2021

Fast X-ray Nanotomography with Sub-10 nm Resolution as a Powerful Imaging Tool for Nanotechnology and Energy Storage Applications

In the last decade, transmission X-ray microscopes (TXMs) have come into operation in most of the synchrotrons worldwide. They have proven to be outstanding tools for non-invasive ex and in situ 3D characterization of materials at the nanoscale across varying range of scientific applications. However, their spatial resolution has not improved in many years, while newly developed functional materials and microdevices with enhanced performances exhibit nanostructures always finer. Here, optomechanical breakthroughs leading to fast 3D tomographic acquisitions (85 min) with sub-10 nm spatial resolution, narrowing the gap between X-ray and electron microscopy, are reported. These new achievements are first validated with 3D characterizations of nanolithography objects corresponding to ultrahigh-aspect-ratio hard X-ray zone plates. Then, this powerful technique is used to investigate the morphology and conformality of nanometer-thick film electrodes synthesized by atomic layer deposition and magnetron sputtering deposition methods on 3D silicon scaffolds for electrochemical energy storage applications.

36 MATERIALS SCIENCE↗
DOE OSTI2026

Development of a Framework and Methodology for an Advanced Reactor Materials Environmental Effects Design Guide

Advanced non-light-water reactor components may operate at elevated temperature while experiencing cyclic loading, significant neutron irradiation, and exposure to reactor coolant. ASME Boiler and Pressure Vessel Code, Section III, Division 5, provides design rules for elevated-temperature service but does not include specific procedures to account for environmental effects on material properties. This report develops an initial framework and methodology for an Environmental Effects Design Guide (EEDG) focused on neutron irradiation; coolant-environment effects are reserved for future work. The proposed approach treats irradiation as a property-based overlay on the existing Division 5 design process, with two routes: a sparse-data route applying two reduction factors — FCR on creep-rupture strength and FF on fatigue life — for the creep-fatigue evaluations that typically control the design of advanced high-temperature reactor components, and a fuller framework developing the property-to-rule chain across the four Division 5 checks (primary load, strain limits and ratcheting, creep-fatigue, and buckling), together with swelling and weldments as scope items. Both routes are scoped by an in-pile qualification that restricts the use of post-irradiation-examination-derived properties in regimes where an in-pile mechanism could control the design outcome. Illustrative outputs derived on a compiled annealed Type 316 database — FCR ≈ 0.78–0.86 and FF ≈ 0.4 — demonstrate the calculation method within that specific dataset. The framework is an initial, testable design-rule concept; it identifies a practical path for preliminary design evaluations under sparse data and the material data and testing needed to develop the framework further.

Barua, Bipul (ORCID:0000000247184113)↗