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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 559 records · Page 31
All sourcesNASA NTRSDOE OSTI
DOE OSTI2014

SU-E-T-333: Towards Customizable Radiotherapy Enhancement (CuRE) for Prostate Cancer Using Cisplatin Nanoparticles

Purpose: Replacing routinely used brachytherapy spacers with multifunctional ones loaded with cisplatin nanoparticles (CNP), which can be released into the tumor after implantation, could enable customizable radiation boosting to the prostate tumor in addition to chemotherapy effect. This study investigates the feasibility of customizing the intra-tumor biodistribution and corresponding dose enhancement (DEF) over time for the released CNP as a function of nanoparticle size. Methods: Dose enhancement factors (DEF) due to photon-induced emission of photo-/Auger electrons from CNPs were calculated as a function of concentration using previously published analytical calculation method. An experimentally determined diffusion coefficient (D) for 10 nm nanoparticles in mouse tumor model was employed to estimate D for other sizes using the Stoke- Einstein equation. The error function diffusion model in the experimental study was applied to generate the intra-tumor concentration profile for a burst release of CNPs from the spacer over time. The corresponding DEF profiles were then determined for brachytherapy using Pd-103 and I-125 sources. Results: As expected, the generated profiles showed greater DEF over time for smaller CNP sizes at sample distances from the spacer. For example, for a centrally located spacer, clinically significant DEF (> 20%) could be achieved near the tumor periphery (ca. 0.85 cm distance from the spacer for average PCa tumor size) after 20, and 100 days, respectively for CNPs sizes of 2 nm, and 10 nm, using I-125. Meanwhile for Pd-103, clinically significant DEF could be achieved at the same position after 22 and 108 days, respectively, for same size particles. Conclusion: Our preliminary results demonstrate the feasibility of customizing dose enhancement to prostate tumors as a function of spacer location, brachytherapy source type or size of CNPs released from multifunctional spacers. Such an approach could enable customizable radiation boosting to tumor sub-volumes, while minimizing dose to healthy tissues.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2016

SU-F-T-662: Feasibility Study of Fe3O4/TaOx Nano Particles as a Radiosensitizer for Radiation Therapy

Purpose: To investigate the feasibility of using multifunctional Fe{sub 3}O{sub 4}/TaOx(core / shell) nano particles developed for CT and MRI contrast agent as dose enhancing radiosensitizers. Methods: Firstly, to verify the imaging detectability of Fe{sub 3}O{sub 4}/TaOx nano particles, in-vivo tests were conducted. Approximately 600 mg/kg of 19 nm diameter Fe{sub 3}O{sub 4}/TaOx nano particles dispersed in phosphate buffered saline(PBS) were injected to ten nude Balb/c mice through the tail vein. Difference between pre- and post-injection images was analyzed by computing the pixel histogram and correlation coefficient factor using MATLAB in the user defined ROI. Secondly, to quantify the potential therapeutic enhancement with nano materials, DER (Dose Enhancement Ratio) and number of SER (Secondary Electron Ratio) were computed using TOPAS(ver.2.0 P-03) MC simulation. Results: In CT, MRI imaging, the aorta, the blood vessel, and the liver were clearly visualized after intravenous injection of Fe{sub 3}O{sub 4}/TaOx nano particles. There was large different between pre and post-injection images of Histogram data and Coefficients of correlation factor in CT and MR are 0.006, 0.060, respectively. When 70 MeV protons were irradiated for a Gold, Tantalum, TaOx, Fe{sub 3}O{sub 4}/TaOx, Fe{sub 3}O{sub 4} nano particle, DER was 2.59, 2.41, 1.68, 1.54 and 1.36 respectively. Similarly, SER increment was 2.31, 2.15, 1.56, 1.46, and 1.27 for Gold, Tantalum, TaOx, Fe{sub 3}O{sub 4}/TaOx, Fe{sub 3}O{sub 4} nano particle, respectively. Conclusion: Fe{sub 3}O{sub 4}/TaOx nano particles have potential as a multifunctional agent which enhances the accuracy in cancer detection through visualization of developed tumor lesion and increases the therapeutic effect in proton therapy. The dose enhancement with Fe{sub 3}O{sub 4}/TaOx was estimated as half of the Gold. However, tumor targeting such as combined with magnetic field may overcome the low DER. This research was supported by the NRF funded by the Ministry of Science, ICT & Future Planning (2012M3A9B6055201 and 2012R1A1A2042414), Samsung Medical Center grant[GFO1130081].

60 APPLIED LIFE SCIENCES↗
DOE OSTI2020

Phase transition enhanced superior elasticity in freestanding single-crystalline multiferroic BiFeO 3 membranes

The integration of ferroic oxide thin films into advanced flexible electronics will bring multifunctionality beyond organic and metallic materials. However, it is challenging to achieve high flexibility in single-crystalline ferroic oxides that is considerable to organic or metallic materials. Here, we demonstrate the superior flexibility of freestanding single-crystalline BiFeO 3 membranes, which are typical multiferroic materials with multifunctionality. They can endure cyclic 180° folding and have good recoverability, with the maximum bending strain up to 5.42% during in situ bending under scanning electron microscopy, far beyond their bulk counterparts. Such superior elasticity mainly originates from reversible rhombohedral-tetragonal phase transition, as revealed by phase-field simulations. This study suggests a general fundamental mechanism for a variety of ferroic oxides to achieve high flexibility and to work as smart materials in flexible electronics.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Discovering polyelemental nanostructures with redistributed plasmonic modes through combinatorial synthesis

Coupling plasmonic and functional materials provides a promising way to generate multifunctional structures. However, finding plasmonic nanomaterials and elucidating the roles of various geometric and dielectric configurations are tedious. This work describes a combinatorial approach to rapidly exploring and identifying plasmonic heteronanomaterials. Symmetry-broken noble/non-noble metal particle heterojunctions (~100 nanometers) were synthesized on multiwindow silicon chips with silicon nitride membranes. The metal types and the interface locations were controlled to establish a nanoparticle library, where the particle morphology and scattering color can be rapidly screened. By correlating structural data with near- and far-field single-particle spectroscopy data, we found that certain low-energy plasmonic modes could be supported across the heterointerface, while others are localized. Furthermore, we found a series of triangular heteronanoplates stabilized by epitaxial Moiré superlattices, which show strong plasmonic responses despite largely comprising a lossy metal (~70 atomic %). These architectures can become the basis for multifunctional and cost-effective plasmonic devices.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2018

An Improved Representation of Vegetative Filter Strips in SWAT

Abstract. Vegetative filter strips (VFS) are popular conservation practices installed at the edges of agricultural fields to reduce losses of pollutants from agricultural areas to receiving waterbodies. The recent interest in using VFS areas as multifunctional landscapes necessitates an improved depiction of VFS in simulation models. This study is aimed to enhance the physical representation of VFS in the Soil and Water Assessment Tool (SWAT) to improve the representation of ecohydrologic processes and land management practices in VFS areas. The proposed enhancement enables routing of water, sediment, and nutrients from the source area through the VFS area and makes the infiltrated water and nutrients available for filter crop uptake. The improvements are implemented in SWAT by modifying input files through Matlab scripts and by changing SWAT subroutines to enable routing. The model improvements are tested with three paired watershed studies with and without edge-of-field VFS in central Iowa. The improved model estimated 46% runoff reduction, 91% sediment reduction, 83% total phosphorus reduction, and 54% nitrate reduction with VFS, and these estimates closely matched the measured VFS reductions. The improved model was able to represent increased infiltration, soil moisture, and denitrification in the VFS area, along with accurately capturing crop yields in the source and VFS areas. Overall, the results indicate improved physical representation of VFS in SWAT. Keywords: Conservation measures, Flexible buffer strips, Multifunctional buffers, SWAT model, Vegetative filter strips.

Agriculture↗
DOE OSTI2013

Hetero-junctions of Boron Nitride and Carbon Nanotubes: Synthesis and Characterization

Hetero-junctions of boron nitride nanotubes (BNNTs) and carbon nanotubes (CNTs) are expected to have appealing new properties that are not available from pure BNNTs and CNTs. Theoretical studies indicate that BNNT/CNT junctions could be multifunctional and applicable as memory, spintronic, electronic, and photonics devices with tunable band structures. This will lead to energy and material efficient multifunctional devices that will be beneficial to the society. However, experimental realization of BNNT/CNT junctions was hindered by the absent of a common growth technique for BNNTs and CNTs. In fact, the synthesis of BNNTs was very challenging and may involve high temperatures (up to 3000 degree Celsius by laser ablation) and explosive chemicals. During the award period, we have successfully developed a simple chemical vapor deposition (CVD) technique to grow BNNTs at 1100-1200 degree Celsius without using dangerous chemicals. A series of common catalyst have then been identified for the synthesis of BNNTs and CNTs. Both of these breakthroughs have led to our preliminary success in growing two types of BNNT/CNT junctions and two additional new nanostructures: 1) branching BNNT/CNT junctions and 2) co-axial BNNT/CNT junctions, 3) quantum dots functionalized BNNTs (QDs-BNNTs), 4) BNNT/graphene junctions. We have started to understand their structural, compositional, and electronic properties. Latest results indicate that the branching BNNT/CNT junctions and QDs-BNNTs are functional as room-temperature tunneling devices. We have submitted the application of a renewal grant to continue the study of these new energy efficient materials. Finally, this project has also strengthened our collaborations with multiple Department of Energy's Nanoscale Science Research Centers (NSRCs), including the Center for Nanophase Materials Sciences (CNMS) at Oak Ridge National Laboratory, and the Center for Integrated Nanotechnologies (CINTs) at Sandia National Laboratories and Los Alamos National Laboratory. Results obtained during the current funding period have led to the publication of twelve peer reviewed articles, three review papers, two book and one encyclopedia chapters, and thirty eight conference/seminar presentation. One US provisional patent and one international patent have also been filed.

36 MATERIALS SCIENCE↗
DOE OSTI2012

PILOT TESTING: PRETREATMENT OPTIONS TO ALLOW RE-USE OF FRAC FLOWBACK AND PRODUCED BRINE FOR GAS SHALE RESOURCE DEVELOPMENT

The goal of the A&M DOE NETL Project No. DE-FE0000847 was to develop a mobile, multifunctional water treatment capability designed specifically for “pre-treatment” of field waste brine. The project consisted of constructing s mobile “field laboratory” incorporating new technology for treating high salinity produced water and using the lab to conduct a side-by-side comparison between this new technology and that already existing in field operations. A series of four field trials were performed utilizing the mobile unit to demonstrate the effectiveness of different technology suitable for use with high salinity flow back brines and produced water. The design of the mobile unit was based on previous and current work at the Texas A&M Separation Sciences Pilot Plant. The several treatment techniques which have been found to be successful in both pilot plant and field tests had been tested to incorporate into a single multifunctional process train. Eight different components were evaluated during the trials, two types of oil and grease removal, one BTEX removal step, three micro-filters, and two different nanofilters. The performance of each technique was measured by its separation efficiency, power consumption, and ability to withstand fouling. The field trials were a success. Four different field brines were evaluated in the first trial in New York. Over 16,000 gallons of brine were processed. Using a power cost of $.10 per kWh, media pretreatment power use averaged $0.004 per barrel, solids removal $.04 per barrel and brine “softening” $.84 per barrel. Total power cost was approximately $1.00 per barrel of fluid treated. In Pennsylvania, brines collected from frac ponds were tested in two additional trials. Each of the brines was converted to an oil-free, solids-free brine with no biological activity. Brines were stable over time and would be good candidates for use as a make-up fluid in a subsequent fracturing fluid design. Reports on all of the field trials and subcontractor research have been summarized in this Final Report. Individual field trial reports and research reports are contained in the companion volume titled “Appendices”

Burnett, David↗
DOE OSTI2015

Asymmetric Hybrid Nanoparticles

Hybrid Nanoparticles (AHNs) are rationally-designed multifunctional nanostructures and novel building blocks for the next generation of advanced materials and devices. Nanoscale materials attract considerable interest because of their unusual properties and potential for practical applications. Most of the activity in this field is focused on the synthesis of homogeneous nanoparticles from metals, metal oxides, semiconductors, and polymers. It is well recognized that properties of nanoparticles can be further enhanced if they are made as hybrid structures. This program is concerned with the synthesis, characterization, and application of such hybrid structures termed AHNs. AHNs are composed of a homogeneous core and several caps of different materials deposited on its surface (Fig. 1). Combined properties of the core and the caps as well as new properties that arise from core-cap and cap-cap interactions render AHNs multifunctional. In addition, specific chemical reactivity of the caps enables directional self-assembly of AHNs into complex architectures that are not possible with only spherical nanoparticles.

36 MATERIALS SCIENCE↗
DOE OSTI2017

Concrete Materials with Ultra-High Damage Resistance and Self- Sensing Capacity for Extended Nuclear Fuel Storage Systems

The objective of this project is to develop a new class of multifunctional concrete materials (MSCs) for extended spent nuclear fuel (SNF) storage systems, which combine ultra-high damage resistance through strain-hardening behavior with distributed multi-dimensional damage self-sensing capacity. The beauty of multifunctional concrete materials is two-fold: First, it serves as a major material component for the SNF pool, dry cask shielding and foundation pad with greatly improved resistance to cracking, reinforcement corrosion, and other common deterioration mechanisms under service conditions, and prevention from fracture failure under extreme events (e.g. impact, earthquake). This will be achieved by designing multiple levels of protection mechanisms into the material (i.e., ultrahigh ductility that provides thousands of times greater fracture energy than concrete and normal fiber reinforced concrete; intrinsic cracking control, electrochemical properties modification, reduced chemical and radionuclide transport properties, and crack-healing properties). Second, it offers capacity for distributed and direct sensing of cracking, strain, and corrosion wherever the material is located. This will be achieved by establishing the changes in electrical properties due to mechanical and electrochemical stimulus. The project will combine nano-, micro- and composite technologies, computational mechanics, durability characterization, and structural health monitoring methods, to realize new MSCs for very long-term (greater than 120 years) SNF storage systems.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2017

Concrete Materials with Ultra-High Damage Resistance and Self- Sensing Capacity for Extended Nuclear Fuel Storage Systems

The objective of this project is to develop a new class of multifunctional concrete materials (MSCs) for extended spent nuclear fuel (SNF) storage systems, which combine ultra-high damage resistance through strain-hardening behavior with distributed multi-dimensional damage self-sensing capacity. The beauty of multifunctional concrete materials is two-fold: First, it serves as a major material component for the SNF pool, dry cask shielding and foundation pad with greatly improved resistance to cracking, reinforcement corrosion, and other common deterioration mechanisms under service conditions, and prevention from fracture failure under extreme events (e.g. impact, earthquake). This will be achieved by designing multiple levels of protection mechanisms into the material (i.e., ultrahigh ductility that provides thousands of times greater fracture energy than concrete and normal fiber reinforced concrete; intrinsic cracking control, electrochemical properties modification, reduced chemical and radionuclide transport properties, and crack-healing properties). Second, it offers capacity for distributed and direct sensing of cracking, strain, and corrosion wherever the material is located. This will be achieved by establishing the changes in electrical properties due to mechanical and electrochemical stimulus. The project will combine nano-, micro- and composite technologies, computational mechanics, durability characterization, and structural health monitoring methods, to realize new MSCs for very long-term (greater than 120 years) SNF storage systems.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2018

Alkali-Activated Cement Composites for High Temperature Goethermal Wells

Under the Department of Energy, Energy Efficiency and Renewable Energy (DOE EERE) Geothermal Technologies Program (GTP), the scope of work at Brookhaven National Laboratory (BNL) was aimed at developing and characterizing multifunctional high-temperature geothermal well cement composites. These materials are suitable for both conventional hydrothermal reservoirs at temperature of 300°C and enhanced geothermal system (EGS) environments at heating temperatures up to 600°C. The multifunctional cements were being developed with the following five advanced properties: 1) thermal shock (TS) resistance under 5 cycle heatingcooling water quenching tests, where one cycle involved heating at 500 or 600°C for 24 h and then quenching in 25°C water; 2) improved compressive toughness; 3) enhanced protection of carbon steel (CS) against brine-induced corrosion; 4) superior durability of the bond between the CS and cement surfaces; and 5) good resistance to pH 0.5 H 2 SO 4 solution at 90°C, compared to two conventional geothermal well cements (Class G modified with SiO 2 and calcium aluminum phosphate (CaP)). The latter cement was originally formulated and developed at BNL as a CO 2 - resistant cement under the previous GTP project. Unlike Class G, CaP is classified as a chemically bonded cement; namely, chemical reactions are responsible for strengthening the cement at an earlier curing stage.

15 GEOTHERMAL ENERGY↗
DOE OSTI2020

Time-Resolved Spectroscopy of Insulator-Metal Transitions: Exploring Low-Energy Dynamics in Strongly Correlated Systems. Final Report

Transition metal oxides (TMOs) have attracted much attention in recent years. The strong coupling between charge, spin, and orbital degrees of freedom creates novel functional properties. The research at the interplay between ferromagnetism, ferroelectricity and conductivity provides a promising way to the development of future spintronic devices. The interface characterization of multifunctional oxide heterostructures is crucial to understand deeply the magnetic response, spin injection and spin transport. In year one, we characterized optically the magnetic property with the method of magnetization-induced second-harmonic generation (MSHG), which is a sensitive technique to selectively probe the interface where the spatial inversion symmetry is broken. The interface of n-type BaTiO 3 (BTO)/La 0.67 Sr 0.33 MnO 3 (LSMO) forms a Schottky barrier and displays a good diode effect. By applying an external electric field across the sample, we observe the magnetoelectric (ME) coupling effect to modulate the interface magnetization. The voltage dependent magnetic contrast sharply vanishes at positive voltage (applied to LSMO contact) and reveals a ferromagnetic (FM)-to- antiferromagnetic (AFM) transition occurring at the interface, while the magneto-optic Kerr effect (MOKE) indicates that the bulk property is not affected. The strain mediated mechanism and ferroelectric (FE) polarization induced charge medicated mechanism are both discussed, but they do not play an important role in the observed magnetization transition. A new mechanism is proposed - the injected minority spins through strong Hund's interaction with the local magnetic moments at positive voltage weaken the double-exchange interaction of nearby Mn e g electrons, thereby reducing the ferromagnetic (FM) ordering. The dominant superexchange interaction of localized t 2g electrons finally leads to the AFM configuration. By reducing the electron carrier concentration of BTO, a positive voltage shift of the transition is observed. The oxygen richer sample with lower carrier concentration requires a higher voltage to increase the hole doping level of LSMO to induce the interfacial AFM phase. By inserting a thin (1nm) La 0.5 Ca 0.5 MnO 3 layer between BTO and LSMO, the interface magnetic response from LSMO is enhanced. In year two, a non-multiferroic heterostructure SrTiO 3 (STO)/ La 0.5 Ca 0.5 MnO 3 (LCMO)/La 0.67 Sr 0.33 MnO 3 (LSMO) was studied. In this system, the interface FM-AFM transition is observed at negative voltage. The STO layer may act as a hole-donating layer, which induces the hole transfer to LSMO making it overdoped, while the LCMO interlayer at the 0.5 hole doping level displays complicated CE type AFM phase. Thus the AFM phase is dominant at the interface and electron accumulation is required to induce the FM phase by applying a negative voltage. For oxygen rich sample, the magnetic MSHG loop reappears at high positive voltage (around +2.5 V). At high doping level (x > 0.5), LSMO exhibits A-type AFM order, consisting of AFM superexchange coupling between adjacent layers and intralayer FM double-exchange coupling. The less tensile strain of STO and LSMO due to a smaller lattice mismatch as compared to BTO would result in a weaker interlayer coupling . Thus, interfacial A-type AFM order can occur in STO/LCMO/LSMO heterostructure at high hole doping concentration. The study of ME coupling of multifunctional oxide heterostructures is definitely important to the development and performance of future spintronic devices. The results presented here regarding the interfacial magnetic transition controlled by an external electric field offer some new perspective to study the spin transport of magnetic tunnel junctions.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Mixed-dimensional stackable electronics enabled by freestanding 2D/3D materials

2D material-based devices have received great deal of attention as they can be easily stacked to obtain multifunctionality. With their ultrathin thicknesses, such multifunctioning devices become so flexible and conformal that they can be placed onto any 3D featured surfaces. However, 2D heterostructures are typically demonstrated as stacked flakes where single or few devices can be fabricated due to lack of strategies for layer-by-layer stacking of 2D materials at the wafer scale. In this talk, I will discuss about our unique strategy to isolate wafer-scale 2D materials into monolayers and stack them into a heterostructures by using a layer-resolved splitting (LRS) technique. This technique enables my group at MIT to explore unprecedented wafer-scale 2D heterodevices including integrated photonics, 3D neuromorphic computing, and microLEDs, which will be introduced in my talk. While 2D heterostructures promise interesting futuristic devices, the performance of 2D material-based devices is substantially inferior to that of conventional 3D semiconductor materials. However, 3D materials exist as their bulk form, thus it is challenging to stack them together for heterostructures. Obviously, conformal coating of such single-crystalline bulks on 3D features is impossible. My group at MIT has recently invented a 2D materials-based layer transfer (2DLT) technique that can produce single-crystalline freestanding membranes from any compound materials with their excellent semiconducting performance. This technique is based on remote epitaxy of single-crystalline films on graphene followed by peeling from graphene. Stacking of freestanding 3D material membranes will enable unprecedented 3D heterostructures whose performance is expected to be superior to that of 2D heterostructures. I will talk about our group’s effort to apply single-crystalline freestanding membranes for flexible, conformal electronics as well as for 3D heterostructures. Finally, I will conclude my talk by discussing perspectives of coupling 2D-3D freestanding membranes for 2D-3D mixed heterostructured devices that can be enabled by our LRS and 2DLT techniques.

Kim, Jeehwan↗
DOE OSTI2025

The Development of Catalysts for Upgrading of Pyrolysis Vapor for Refinery Feedstocks and Intermediates (CRADA Final Report)

Catalytic fast pyrolysis (CFP) is a versatile technology platform to convert biomass into fungible hydrocarbon transportation fuels and chemical co-products. Key technical barriers to reaching this goal include increasing the product yields and achieving the desired fuel properties for gasoline, diesel, and jet range fuels or blendstocks that would be suitable for introduction into existing refinery unit operations. Overcoming these barriers will require durable catalysts that are effective at upgrading and stabilizing biomass pyrolysis vapors. Towards these goals, this CRADA leveraged NREL experience as a leader in biomass pyrolysis research and Johnson Matthey's (JM) experience as a leader in the production of advanced catalytic materials. The scope spanned CFP catalyst development, characterization, multi-scale reaction testing, and computational modeling. CRADA benefits to DOE, Participant, and U.S. Taxpayer: Assists laboratory in achieving programmatic scope, Uses the laboratory’s core competencies. The purpose of this CRADA was to develop and deploy catalysts for biomass CFP to help achieve cost-competitive biofuels and bio-based products. This was accomplished through a close collaboration between biomass conversion researchers at NREL and catalyst development researchers at JM. Summary of Research Results: Focus Area 1. Foundational research on catalytic conversion and deactivation: Key interactions between pyrolysis vapors and heterogeneous catalysts were probed through catalyst characterization, model compound reaction testing, and atomistic-scale computational modeling. Catalyst development focused on multifunctional materials, which include zeolites, oxides, carbides, and nitrides. Computational modeling identified reaction mechanisms and elucidated surface chemistry to test hypotheses regarding mechanisms of deoxygenation, coupling, cracking, dehydration, coke formation, hydrogen transfer, and aromatic ring reactions. This information was used to design multifunctional catalysts to increase product yields, control product selectivity, and reduce deactivation during CFP and downstream processing steps. The results served to increase fundamental understanding of key catalyst attributes and durability features for the upgrading of biomass pyrolysis vapors. Model compound experiments confirmed the importance of metal-acid bifunctionality for the deoxygenation of lignin-derived phenolic species under hydrodeoxygenation conditions. This insight led to the development of catalysts such as Pt/TiO2 and Mo2C, which were confirmed as high-performing materials during subsequent bench-scale experiments using biomass-derived pyrolysis vapors. This focus area also led to the identification of important catalyst deactivation mechanisms associated with the deposition of inorganic contaminants such as potassium. The molecular-level insight from model compound experiments and computational modeling, shown in Figure 1, informed the development of regeneration procedures that have been shown to be effective for restoration of > 90% of initial catalyst activity. This understanding has subsequently been translated to other catalyst systems, including zeolite materials that can be operated without requirements for co-fed hydrogen.

09 BIOMASS FUELS↗
DOE OSTI2026

MAT 329: Cost Efficient, Bio-Derivable, and Lightweight Materials for Vehicle's Thermal Energy Management

Objective: Enable lightweight and multifunctional composites by combining CF composites with encapsulated phase-change materials for temperature regulation. Impacts: The multifunctionality of the composites provides benefits over today's aluminum enclosures which could help drive CF composites adoption; and By implementing CF composites, battery enclosures can be lightweighted leading to a greater vehicle efficiency.

33 ADVANCED PROPULSION SYSTEMS↗
DOE OSTI2026

HYBRID COMPOSITES VIA CO-EXTRUSION ADDITIVE MANUFACTURING-COMPRESSION MOLDING FOR PERFORMANCE OPTIMIZATION

The growing demand for hybrid polymer composites with multifunctional properties has led to the development of various hybridization techniques, such as multi-material compounding and controlled laminate stacking sequence. In this study, a novel hybrid manufacturing approach was used by integrating a multiplexing extrusion system (MExS) based on additive manufacturing with subsequent compression molding process. This technique enabled the co-extrusion of different materials during the additive manufacturing process to fabricate composites with tailored performance. The developed hybrid composite featured a skin layer of glass fiberreinforced polycarbonate (PC/GF) encapsulating a carbon fiber-reinforced acrylonitrile butadiene styrene (CF/ABS) core. The structure was engineered to promote improved thermal and impact resistance at the surface, supported by a stiff core for enhanced overall mechanical integrity. Mechanical, thermal and morphological properties of the hybrid composites were investigated to understand trade-offs in performance compared to a single-material system. The results demonstrate that this approach enables the production of multifunctional composites suitable for applications such as automotive body panels and protective housings, where a balance of weight, mechanical strength, and thermal performance is essential.

Wasti, Sanjita [ORNL]↗
DOE OSTI2024

Self-Assembled TiN-Metal Nanocomposites Integrated on Flexible Mica Substrates towards Flexible Devices

The integration of nanocomposite thin films with combined multifunctionalities on flexible substrates is desired for flexible device design and applications. For example, combined plasmonic and magnetic properties could lead to unique optical switchable magnetic devices and sensors. In this work, a multiphase TiN-Au-Ni nanocomposite system with core–shell-like Au-Ni nanopillars embedded in a TiN matrix has been demonstrated on flexible mica substrates. The three-phase nanocomposite film has been compared with its single metal nanocomposite counterparts, i.e., TiN-Au and TiN-Ni. Magnetic measurement results suggest that both TiN-Au-Ni/mica and TiN-Ni/mica present room-temperature ferromagnetic property. Tunable plasmonic property has been achieved by varying the metallic component of the nanocomposite films. The cyclic bending test was performed to verify the property reliability of the flexible nanocomposite thin films upon bending. This work opens a new path for integrating complex nitride-based nanocomposite designs on mica towards multifunctional flexible nanodevice applications.

42 ENGINEERING↗
DOE OSTI2015

Elemental ratio measurements of organic compounds using aerosol mass spectrometry: characterization, improved calibration, and implications

Elemental compositions of organic aerosol (OA) particles provide useful constraints on OA sources, chemical evolution, and effects. The Aerodyne high-resolution time-of-flight aerosol mass spectrometer (HR-ToF-AMS) is widely used to measure OA elemental composition. This study evaluates AMS measurements of atomic oxygen-to-carbon (O : C), hydrogen-to-carbon (H : C), and organic mass-to-organic carbon (OM : OC) ratios, and of carbon oxidation state ( OS C ) for a vastly expanded laboratory data set of multifunctional oxidized OA standards. For the expanded standard data set, the method introduced by Aiken et al. (2008), which uses experimentally measured ion intensities at all ions to determine elemental ratios (referred to here as "Aiken-Explicit"), reproduces known O : C and H : C ratio values within 20% (average absolute value of relative errors) and 12%, respectively. The more commonly used method, which uses empirically estimated H 2 O + and CO + ion intensities to avoid gas phase air interferences at these ions (referred to here as "Aiken-Ambient"), reproduces O : C and H : C of multifunctional oxidized species within 28 and 14% of known values. The values from the latter method are systematically biased low, however, with larger biases observed for alcohols and simple diacids. A detailed examination of the H 2 O + , CO + , and CO 2 + fragments in the high-resolution mass spectra of the standard compounds indicates that the Aiken-Ambient method underestimates the CO + and especially H 2 O + produced from many oxidized species. Combined AMS–vacuum ultraviolet (VUV) ionization measurements indicate that these ions are produced by dehydration and decarboxylation on the AMS vaporizer (usually operated at 600 °C). Thermal decomposition is observed to be efficient at vaporizer temperatures down to 200 °C. These results are used together to develop an "Improved-Ambient" elemental analysis method for AMS spectra measured in air. The Improved-Ambient method uses specific ion fragments as markers to correct for molecular functionality-dependent systematic biases and reproduces known O : C (H : C) ratios of individual oxidized standards within 28% (13%) of the known molecular values. The error in Improved-Ambient O : C (H : C) values is smaller for theoretical standard mixtures of the oxidized organic standards, which are more representative of the complex mix of species present in ambient OA. For ambient OA, the Improved-Ambient method produces O : C (H : C) values that are 27% (11%) larger than previously published Aiken-Ambient values; a corresponding increase of 9% is observed for OM : OC values. These results imply that ambient OA has a higher relative oxygen content than previously estimated. The OS C values calculated for ambient OA by the two methods agree well, however (average relative difference of 0.06 OS C units). This indicates that OS C is a more robust metric of oxidation than O : C, likely since OS C is not affected by hydration or dehydration, either in the atmosphere or during analysis.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗