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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 19 records

All sources NASA NTRS DOE OSTI

DOE OSTI2024

Development of Electrolytes for Lithium Ion Batteries in Low Temperature Applications (Abstract)

The purpose of the proposed project is to improve the low temperature performance of Navitas Systems Advanced Solution Group’s (“Navitas”) commercial high-power lithium ion batteries for vehicle cold crank applications. PNNL has developed an intellectual property about electrolyte additives and electrolyte formulations to greatly improve the low temperature discharge performance and the long-term cycling stability at room temperature and elevated temperatures of lithium ion batteries.

25 ENERGY STORAGE↗

DOE OSTI2024

Aluminum Ultra-conductors for Energy-Efficient Aerospace Busbar Applications (Abstract)

In this project, we will develop aluminum ultra-conductors with graphene additives demonstrating enhanced electrical conductivity at 90 °C compared to electric grade aluminum alloy AA1100 (43% IACS at 90 °C). While ultra-conductivity has been developed in copper and copper alloys, it is yet to be reported extensively in aluminum-based materials. This project will scale initial work done at PNNL on aluminum ultra-conductors using shear-assisted processing and extrusion (ShAPETM), a novel solid phase processing technique. Ultra-conductors are an emerging class of composites, comprised of a metal substrate with small quantities of nanocrystalline additives such as graphene or carbon nanotubes that demonstrate enhanced conductivity at relevant operating temperatures. Aluminum ultra-conductors can improve efficiency and power density while reducing the demand for copper in a wide range of applications, such as power transmission cables and electric motors. Busbars are an important component in aerospace systems that require lightweight and high-current power distribution including both future electric vertical take-off and landing (eVTOL) aircrafts and current aircraft electrical systems. We will accelerate aluminum ultra-conductor composite formulation development using combinatorial synthesis and testing methods aided by process/microstructure modeling, developed previously at PNNL. Eaton will test the properties of the ShAPE aluminum ultra-conductor feedstock (used to make the busbars) in relevant operating conditions (20 – 90 °C), predict the improvement in busbar performance when manufactured with ultra-conductors over commercial conductors (such as AA1100), and perform technoeconomic analysis to evaluate the potential for commercialization of ShAPE aluminum ultra-conductors. The project is expected to have a budget of $\$375$K, with $\$300$K in federal funding and $\$75$K in-kind cost-share contribution from Eaton over a period of performance of 24 months. Of the $\$300$K of federal funds, $\$140$K is allocated for CRADA activities that generate intellectual property (IP), and the remaining $\$160$K is reserved for modeling, material testing, characterization, travel, and reporting-related activities.

36 MATERIALS SCIENCE↗

DOE OSTI2023

Development of Electrolytes for Lithium-Ion Batteries in Wide Temperature Range Applications (Abstract)

The purpose of the proposed project is to improve the performances of Farasis’ commercial high-energy lithium ion batteries in a wide temperature range. PNNL has developed intellectual property about electrolyte additives and electrolyte formulations to greatly improve the low temperature discharge performance and the long-term cycling stability at room temperature and elevated temperatures of lithium ion batteries.

25 ENERGY STORAGE↗

DOE OSTI2025

Performance Evaluation of Different Parallel Programming Models in SCALE-Shift Sequences for Criticality and Shielding Applications [Abstract]

The SCALE code system has been widely used for nuclear criticality safety, reactor physics, radiation shielding, source term generation, and inventory analyses by researchers, industry, and regulatory bodies. Although limited support for shared- and distributed-memory parallel processing was introduced via C++ threading, OpenMP, and MPI, a hybrid parallel programming model with both distributed- and shared-memory parallelism has not been fully supported in the SCALE code system.

Nuclear Criticality Safety Program (NCSP)↗

DOE OSTI2024

The duality between color and kinematics and its applications

Abstract This review describes the duality between color and kinematics and its applications, with the aim of gaining a deeper understanding of the perturbative structure of gauge and gravity theories. We emphasize, in particular, applications to loop-level calculations, the broad web of theories linked by the duality and the associated double-copy structure, and the issue of extending the duality and double copy beyond scattering amplitudes. The review is aimed at doctoral students and junior researchers both inside and outside the field of amplitudes and is accompanied by various exercises.

Physics↗

DOE OSTI2023

X-ray quantification of oxygen groups on diamond surfaces for quantum applications

Abstract Identifying the surface chemistry of diamond materials is increasingly important for device applications, especially quantum sensors. Oxygen-related termination species are widely used because they are naturally abundant, chemically stable, and compatible with stable nitrogen vacancy centres near the diamond surface. Diamond surfaces host a mixture of oxygen-related species, and the precise chemistry and relative coverage of different species can lead to dramatically different electronic properties, with direct consequences for near-surface quantum sensors. However, it is challenging to unambiguously identify the different groups or quantify the relative surface coverage. Here we show that a combination of x-ray absorption and photoelectron spectroscopies can be used to quantitatively identify the coverage of carbonyl functional groups on the { 100 } diamond surface. Using this method we reveal an unexpectedly high fraction of carbonyl groups ( > 9%) on a wide range of sample surfaces. Furthermore, through a combination of ab initio calculations and spectroscopic studies of engineered surfaces, we reveal unexpected complexities in the x-ray spectroscopy of oxygen terminated diamond surfaces. Of particular note, we find the binding energies of carbonyl-related groups on diamond differs significantly from other organic systems, likely resulting in previous misestimation of carbonyl fractions on diamond surfaces.

36 MATERIALS SCIENCE↗

DOE OSTI2025

Recent evolution of risk analyses in atomic bomb survivor studies: new methods and applications

Abstract Several decades ago a dramatic leap forward occurred in the development and application of statistical methods for modeling radiation risk at the Radiation Effects Research Foundation (RERF). Poisson regression analysis for grouped person-year cohort data and the linear excess relative risk model were introduced, and subsequently a devoted software system, Epicure® (https://www.hirosoft.com), was developed by researchers at RERF and at the U.S. National Cancer Institute. Numerous advancements in understanding radiation effects on humans were made possible with these methods, which are still the state-of-the-art for risk assessment at RERF and have remained part of the standard toolbox for radiation—and other environmental—epidemiological studies worldwide. Nevertheless, as our understanding of radiation risk has increased, so have the breadth and depth of questions that require answers based on emerging data that are not amenable to these conventional methods. This overview briefly recounts the conventional methods and then describes our recent diversification into the use or development of new statistical approaches to meet the challenges of burgeoning biological data and emerging mechanistic information. We briefly discuss the development and application of new methods, current and planned, that are part of the RERF Statistics Department’s role in supporting institution-wide research, especially in our collaborations involving the Life Span Study, Adult Health Study, and First-generation Offspring Clinical Study. Some approaches to modeling and assessing radiation risk with newer methods mentioned herein have already been published, while some are still in development or are only beginning at the proposal stage.

Oncology↗

DOE OSTI2022

Structurally Defined Water‐Soluble Metallofullerene Derivatives towards Biomedical Applications

Abstract Endohedral metallofullerenes (EMFs) are excellent carriers of rare‐earth element (REE) ions in biomedical applications because they preclude the release of toxic metal ions. However, existing approaches to synthesize water‐soluble EMF derivatives yield mixtures that inhibit precise drug design. Here we report the synthesis of metallobuckytrio (MBT), a three‐buckyball system, as a modular platform to develop structurally defined water‐soluble EMF derivatives with ligands by choice. Demonstrated with PEG ligands, the resulting water‐soluble MBTs show superb biocompatibility. The Gd MBTs exhibit superior T 1 relaxivity than typical Gd complexes, potentially superseding current clinical MRI contrast agents in both safety and efficiency. The Lu MBTs generated reactive oxygen species upon light irradiation, showing promise as photosensitizers. With their modular nature to incorporate other ligands, we anticipate the MBT platform to open new paths towards bio‐specific REE drugs.

Li, Yanbang↗

DOE OSTI2022

Structurally Defined Water‐Soluble Metallofullerene Derivatives towards Biomedical Applications

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2025

Low-cost production method for fluorescent particles for liquid flow velocimetry applications

Abstract In this Technical Note, we present a simple and low-cost production method for fluorescent particles perfectly suitable for velocimetry applications. We leverage the unique ability of Nile Red (NR) fluorophores to adsorb on the polymer surface and/or embed itself in between polymeric chains. The laboratory procedure to dye polyamide particles with NR and monetary advantages over commercially available fluorescent particles is outlined. Subsequently, the fluorescence behavior of the dyed particles is tested under a laser illumination source in polar and non-polar liquids. The distinct advantage of the emission spectrum of NR-dyed particles is demonstrated with sample test results.

42 ENGINEERING↗

DOE OSTI2024

Light–Material Interactions Using Laser and Flash Sources for Energy Conversion and Storage Applications

Abstract This review provides a comprehensive overview of the progress in light–material interactions (LMIs), focusing on lasers and flash lights for energy conversion and storage applications. We discuss intricate LMI parameters such as light sources, interaction time, and fluence to elucidate their importance in material processing. In addition, this study covers various light-induced photothermal and photochemical processes ranging from melting, crystallization, and ablation to doping and synthesis, which are essential for developing energy materials and devices. Finally, we present extensive energy conversion and storage applications demonstrated by LMI technologies, including energy harvesters, sensors, capacitors, and batteries. Despite the several challenges associated with LMIs, such as complex mechanisms, and high-degrees of freedom, we believe that substantial contributions and potential for the commercialization of future energy systems can be achieved by advancing optical technologies through comprehensive academic research and multidisciplinary collaborations.

Materials Science↗

DOE OSTI2025

Additive Manufacturing of Lattice Structures for Catalyst Applications

Abstract The design and fabrication of Inconel 718 open-pore lattice structures via Laser Powder Bed Fusion (LPBF) has been investigated in this research, focusing on applications such as catalyst supports in jet fuel production. The study explores the impact of laser power and scanning speed on the geometrical resolution of these structures aiming to achieve high porosity (porosity > 60%) and specific pore sizes ranging from 500–1000 μm, intending to serve as catalyst supports, replacing conventionally manufactured foams to reduce costs. Results demonstrate the significant influence of processing parameters on the geometrical aspects of printed lattice structures, with laser power having a more pronounced effect on geometrical accuracy than scanning speed. Additionally, the mechanical properties of the printed lattice structures showed a correlation with the lattice strut sizes, as lattices with less porosity and thicker struts resulted in higher maximum shear stress.

36 MATERIALS SCIENCE↗

DOE OSTI2025

Additive Manufacturing of Lattice Structures for Catalyst Applications

Ghanadi, Nahal [Oregon State University] (ORCID:00↗

DOE OSTI2025

Solventless Dual‐Cure Liquid Resins Via Circular Use of Phthalic Anhydride for Recyclable Composite Applications

Abstract Fiber‐reinforced composites (FRCs) possess a remarkable strength‐to‐weight ratio, making them ideal light‐weighing alternative materials of metals used in automotive, aerospace, and outdoor equipment applications, but their recycling is challenging. Chemically recyclable thermoset polymers can enable fiber recovery and reuse; however, challenges remain in the separation and purification of depolymerized small molecules for efficient polymer recycling. To this end, a series of liquid resins for chemically recyclable polymer networks is designed based on phthalic anhydride, a widely produced and inexpensive chemical. The straightforward sublimation of phthalic anhydride is leveraged to enable a simple and efficient separation process for polymer recycling. To liquefy phthalic anhydride, five mono‐acryloyl‐phthalates are synthesized to obtain stable liquid resins together with phthalic diglycidyl ester. These liquid resins undergo dual‐cure reactions that comprise photopolymerization of acrylate and, subsequently, heat‐mediated epoxy‐acid polymerization reactions. These liquid resins exhibit moderate viscosities (2600–6400 cP @ 22 °C), fast curing, and robust thermomechanical properties (T g s from 71 to 116 °C). It is demonstrated that hydrolysis of the dual‐cured polymers completes within 2 h at 80 °C, and direct sublimation produces phthalic anhydride with 82% yield. This resin system is expected to provide a cost‐competitive, highly efficient platform for recyclable FRCs.

Polymer Science↗

DOE OSTI2023

Selective area doping of GaN toward high-power applications

Abstract Selective area doping in GaN, especially p-type, is a critical and inevitable building block for the realization of advanced device structures for high-power applications, including, but not limited to, current-aperture vertical electron transistors, junction termination extensions, junction barrier Schottky diodes, junction field-effect transistors (JFETs), vertical-channel JFETs, U-shaped metal–oxide–semiconductor field-effect transistors (U-MOSFETs), and Fin MOSFETs. This paper reviews and summarizes some of the recent advances in the fields of selective area etching and regrowth, ion implantation, and polarity-dependent doping that may lead to the practical realization of GaN-based power devices.

Physics↗

DOE OSTI2022

Descriptor Aided Bayesian Optimization for Many-Level Qualitative Variables With Materials Design Applications

Abstract Engineering design often involves qualitative and quantitative design variables, which requires systematic methods for the exploration of these mixed-variable design spaces. Expensive simulation techniques, such as those required to evaluate optimization objectives in materials design applications, constitute the main portion of the cost of the design process and underline the need for efficient search strategies—Bayesian optimization (BO) being one of the most widely adopted. Although recent developments in mixed-variable Bayesian optimization have shown promise, the effects of dimensionality of qualitative variables have not been well studied. High-dimensional qualitative variables, i.e., with many levels, impose a large design cost as they typically require a larger dataset to quantify the effect of each level on the optimization objective. We address this challenge by leveraging domain knowledge about underlying physical descriptors, which embody the physics of the underlying physical phenomena, to infer the effect of unobserved levels that have not been sampled yet. We show that physical descriptors can be intuitively embedded into the latent variable Gaussian process approach—a mixed-variable GP modeling technique—and used to selectively explore levels of qualitative variables in the Bayesian optimization framework. This physics-informed approach is particularly useful when one or more qualitative variables are high dimensional (many-level) and the modeling dataset is small, containing observations for only a subset of levels. Through a combination of mathematical test functions and materials design applications, our method is shown to be robust to certain types of incomplete domain knowledge and significantly reduces the design cost for problems with high-dimensional qualitative variables.

Engineering↗

DOE OSTI2023

High-throughput calculations of charged point defect properties with semi-local density functional theory—performance benchmarks for materials screening applications

Abstract Calculations of point defect energetics with Density Functional Theory (DFT) can provide valuable insight into several optoelectronic, thermodynamic, and kinetic properties. These calculations commonly use methods ranging from semi-local functionals with a-posteriori corrections to more computationally intensive hybrid functional approaches. For applications of DFT-based high-throughput computation for data-driven materials discovery, point defect properties are of interest, yet are currently excluded from available materials databases. This work presents a benchmark analysis of automated, semi-local point defect calculations with a-posteriori corrections, compared to 245 “gold standard” hybrid calculations previously published. We consider three different a-posteriori correction sets implemented in an automated workflow, and evaluate the qualitative and quantitative differences among four different categories of defect information: thermodynamic transition levels, formation energies, Fermi levels, and dopability limits. We highlight qualitative information that can be extracted from high-throughput calculations based on semi-local DFT methods, while also demonstrating the limits of quantitative accuracy.

36 MATERIALS SCIENCE↗

DOE OSTI2022

Electroactive biofilms: how microbial electron transfer enables bioelectrochemical applications

Abstract Microbial biofilms are ubiquitous. In marine and freshwater ecosystems, microbe–mineral interactions sustain biogeochemical cycles, while biofilms found on plants and animals can range from pathogens to commensals. Moreover, biofouling and biocorrosion represent significant challenges to industry. Bioprocessing is an opportunity to take advantage of biofilms and harness their utility as a chassis for biocommodity production. Electrochemical bioreactors have numerous potential applications, including wastewater treatment and commodity production. The literature examining these applications has demonstrated that the cell–surface interface is vital to facilitating these processes. Therefore, it is necessary to understand the state of knowledge regarding biofilms’ role in bioprocessing. This mini-review discusses bacterial biofilm formation, cell–surface redox interactions, and the role of microbial electron transfer in bioprocesses. It also highlights some current goals and challenges with respect to microbe-mediated bioprocessing and future perspectives.

59 BASIC BIOLOGICAL SCIENCES↗