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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 955 records · Page 53
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Genomes to Structure and Function Workshop Report 2022

The goal of the U.S. Department of Energy (DOE) Biological and Environmental Research (BER) Program is to achieve a predictive understanding of complex biological, earth, and environmental systems with the aim of advancing the nation’s energy and infrastructure security. (https://www.energy.gov/science/ ber/biological-and-environmental-research). To pursue this goal, collaborations among experts in diverse research areas that lead to multidisciplinary projects are indispensable. The roles of DOE’s User Facilities, which offer unique and powerful resources for such research projects, are evolving, and expectations for the facilities are increasing. To respond to Users’ needs, the Joint Genome Institute (JGI) and Environmental Molecular Sciences Laboratory (EMSL) initiated the Facilities Integrating Collaborations for User Science (FICUS) program in 2014. This collaboration has grown into a popular and successful program, advancing more than 100 multidisciplinary projects to date. Similarly, the new interFacility collaborations among the JGI, EMSL, and User resources for BER structural biology and imaging at the Basic Energy Science (BES) Program’s synchrotron and neutron facilities are becoming essential for cutting-edge transdisciplinary science. To further explore the need for the BER research community to combine genomic, functional, and structural approaches to advance their research, an organizing committee was formed to develop and jointly host a 3-part workshop. The committee’s members represented seven DOE National Laboratory User Facilities (Appendix 1 lists the members). The “Genomes to Structure and Function” virtual workshop (see Appendices 2–5) was composed of three sessions. The first session, titled “Molecular Structures” (October 27– 28, 2021), highlighted diverse integrative experimental and computational approaches correlating structural data with sequencing and functional information, as well as predicting protein structures to model complex biological systems. The second session, “Intracellular Organization, and Material Synthesis and Decomposition” (December 15–16, 2021), covered imaging methods for observing, quantifying, and manipulating biosystems. The third session, “Imaging the Rhizosphere and Cellular Organization” (January 26–27, 2022) emphasized advanced and non-invasive imaging techniques applied to plant root-microbe-soil interactions.

59 BASIC BIOLOGICAL SCIENCES↗
NASA NTRS1983

Damping mechanisms in fiber reinforced laminates

Low strain damping in fiber reinforced composite materials is due to material loss factors in both fibers and matrix materials. The high modulus of the fibers makes up for the low damping factor. Strains high enough to cause transverse layer cracking in laminates with organic matrix materials causes a large permanent increase in the damping factor. This increase is not due to the transverse cracks but rather to short microcracks in the high shear strain regions. Other damping mechanisms at high strains are also discussed.

Plunkett, R.↗
NASA NTRS2002

Organic Solid Matter as a Coloring Agent in Outer Solar System Bodies

Small bodies in the outer Solar System OSS, exhibit a range of color, or slope of the reflectance in the photovisual spectral region, ranging from neutral to very red, sometimes with and sometimes without distinct absorption bands. These objects range in geometric albedo from 0.03 to 1.0, with the higher albedo objects typically showing clear evidence of water ice. Water ice has also been found in a few objects with albedo 0. 1 or less. We explore here the identification of the material or materials that color these icy and non-icy surfaces through scattering models that incorporate minerals, meteoritic material, and organic solids (tholins) produced ID the laboratory by energy deposition in ices and gases. These models must match not only the color in the photovisual region, but the spectral reflectance properties throughout the near-infrared. Among some classes of objects, such as Kuiper Belt objects, the coloring agent may be a single material that is present in greater or lesser abundance, thus accounting for the range in color from neutral to very red. This may also apply to the Centaur objects, the Jovian Trojans, and the outer-main belt asteroids, each taken as a separate class. If so, each class may be colored to varying degrees by a different material, or they all might be colored by a common material that is widespread throughout the OSS, from 3 to 50 AU, and beyond. In this paper, we model the reflectances of "Kuiper Belt objects, Centaurs, Trojans, outer ARAB asteroids, and planetary satellites. Our models show that the reddest surfaces cannot be colored by minerals or meteoritic materials, but can be matched throughout the photovisual and near-infrared by organic solids, specifically certain tholins.

Cruikshank, D. P.↗
DOE OSTI2021

Efficient excimer-based white OLEDs with reduced efficiency roll-off

A tetradentate Pt(II) complex, Pt2O2-p2m, which exhibits both efficient monomer and excimer emission, was synthesized. Through rational device design to broaden the recombination zone, an OLED device employing Pt2O2-p2m demonstrated an impressively high peak external quantum efficiency (EQE) of 21.5% and a warm white emission with a color rendering index of 71 and Commission Internationale de L'Eclairage coordinates of (0.409, 0.458). Moreover, a reduced efficiency roll-off was also observed to retain high EQE values of 20% EQE at 1000 cd/m 2 and 17% EQE at 5000 cd/m 2 , and an LT70 (time to 70% initial luminance) was estimated to be over 150 h at 1000 cd/m2 under constant operation at accelerated driving conditions.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Sample Identifiers and Metadata Reporting Format for Environmental Systems Science

The ESS-DIVE sample identifiers and metadata reporting format primarily follows the System for Earth Sample Registration (SESAR) Global Sample Number (IGSN) guide and template, with modifications to address Environmental Systems Science (ESS) sample needs and practicalities (IGSN-ESS). IGSNs are associated with standardized metadata to characterize a variety of different sample types (e.g. object type, material) and describe sample collection details (e.g. latitude, longitude, environmental context, date, collection method). Globally unique sample identifiers, particularly IGSNs, facilitate sample discovery, tracking, and reuse; they are especially useful when sample data is shared with collaborators, sent to different laboratories or user facilities for analyses, or distributed in different data files, datasets, and/or publications. To develop recommendations for multidisciplinary ecosystem and environmental sciences, we first conducted research on related sample standards and templates. We provide a comparison of existing sample reporting conventions, which includes mapping metadata elements across existing standards and Environment Ontology (ENVO) terms for sample object types and environmental materials. We worked with eight U.S. Department of Energy (DOE) funded projects, including those from Terrestrial Ecosystem Science and Subsurface Biogeochemical Research Scientific Focus Areas. Project scientists tested the process of registering samples for IGSNs and associated metadata in workflows for multidisciplinary ecosystem sciences. We provide modified IGSN metadata guidelines to account for needs of a variety of related biological and environmental samples. While generally following the IGSN core descriptive metadata schema, we provide recommendations for extending sample type terms, and connecting to related templates geared towards biodiversity (Darwin Core) and genomic (Minimum Information about any Sequence, MIxS) samples and specimens. ESS-DIVE recommends registering samples for IGSNs through SESAR, and we include instructions for registration using the IGSN-ESS guidelines. Our resulting sample reporting guidelines, template (IGSN-ESS), and identifier approach can be used by any researcher with sample data for ecosystem sciences.

54 ENVIRONMENTAL SCIENCES↗
NASA NTRS1989

Advanced rechargeable sodium batteries with novel cathodes

Various high energy density rechargeable batteries are being considered for future space applications. Of these, the sodium sulfur battery is one of the leading candidates. The primary advantage is the high energy density (760 Wh/kg theoretical). Energy densities in excess of 180 Wh/kg have been realized in practical batteries. More recently, cathodes other than sulfur are being evaluated. Researchers at JPL are evaluating various new cathode materials for use in high energy density sodium batteries for advanced space applications. The approach is to carry out basic electrochemical studies of these materials in a sodium cell configuration in order to understand their fundamental behaviors. Thus far studies have focused on alternate metal chlorides such as CuCl2 and organic cathode materials such as tetracyanoethylene (TCNE).

Distefano, S.↗
NASA NTRS2018

Effect of Radiation on Biologically Active Glasses

Multifunctional hydroxyapatites single crystals have been studied for their applications as the laser host material since past several decades. It is only recently their potential has been evaluated for bioactive materials. In the past researches, Czochralski and flux growth methods have been utilized to achieve single crystals. We have used low temperature processing techniques for synthesis. Organic melt was used to achieve oriented fibers by the directional solidification method. This organic treated material has different characteristics than coarsened oxide materials. Our approach involved low temperature processing using nano engineered powders of the material system Na2O-K2O-CaO- MgO-SrO-SiO2. Also, borates were processed by sintering and grain growth. Effect of -ray was studied by measuring the electrical characteristics of radiated samples. Our experiments to further improve mechanical characteristics indicate that substitution of calcium with some other elements such as gallium have great potential to improve the radiation hardening and mechanical properties of bones.

Tufail, Areeba↗
NASA NTRS1990

Advanced rechargeable sodium batteries with novel cathodes

Various high energy density rechargeable batteries are being considered for future space applications. Of these, the sodium-sulfur battery is one of the leading candidates. The primary advantage is the high energy density (760 W h/kg theoretical). Energy densities in excess of 180 W h/kg have been realized in practical batteries. More recently, cathodes other than sulfur are being evaluated. Various new cathode materials are presently being evaluated for use in high energy density sodium batteries for advanced space applications. The approach is to carry out basic electrochemical studies of these materials in a sodium cell configuration in order to understand their fundamental behaviors. Thus far, the studies have focussed on alternative metal chlorides such as CuCl2 and organic cathode materials such as TCNE.

Di Stefano, S.↗
DOE OSTI2022

Synthetic Nuances to Maximize n-Type Organic Electrochemical Transistor and Thermoelectric Performance in Fused Lactam Polymers

A series of fully fused n-type mixed conduction lactam polymers p(g 7 NC n N), systematically increasing the alkyl side chain content, are synthesized via an inexpensive, nontoxic, precious-metal-free aldol polycondensation. Employing these polymers as channel materials in organic electrochemical transistors (OECTs) affords state-of-the-art n-type performance with p(g 7 NC 10 N) recording an OECT electron mobility of 1.20 x 10 -2 cm 2 V -1 s -1 and a μC* figure of merit of 1.83 F cm -1 V -1 s -1. In parallel to high OECT performance, upon solution doping with (4-(1,3-dimethyl-2,3-dihydro-1H-benzoimidazol-2-yl)phenyl)dimethylamine (N-DMBI), the highest thermoelectric performance is observed for p(g 7 NC 4 N), with a maximum electrical conductivity of 7.67 S cm -1 and a power factor of 10.4 μWm -1 K -2 . These results are among the highest reported for n-type polymers. Importantly, while this series of fused polylactam organic mixed ionic-electronic conductors (OMIECs) highlights that synthetic molecular design strategies to bolster OECT performance can be translated to also achieve high organic thermoelectric (OTE) performance, a nuanced synthetic approach must be used to optimize performance. Herein, we outline the performance metrics and provide new insights into the molecular design guidelines for the next generation of high-performance n-type materials for mixed conduction applications, presenting for the first time the results of a single polymer series within both OECT and OTE applications.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

Exploring the Role of Organic Functional Groups in the Ionothermal Synthesis of Uranyl Phosphate Materials

Four new hybrid organic-inorganic uranyl phosphate compounds were structurally characterized after single crystals were grown via ionothermal synthesis using the ionic liquids 1-ethyl-3-methylimidazolium dimethyl phosphate and 1-ethyl-3-methylimidazolium dibutyl phosphate. Three of the new crystal structures presented here incorporate dimethyl or monomethyl phosphate ligands into the structural unit to form one chain-based compound and two sheet-based compounds. One of the structures utilizes dibutyl phosphate to form a previously reported uranyl compound, a structural polymorph that crystallized in space group P2 1 /c in contrast to the previously reported P-1 structure. The structural and topological relationships are compared to those of uranyl phosphate minerals as well as previously reported organophosphate compounds. Finally, the roles of the organics on the phosphate anions in impacting uranyl coordination and stabilizing the crystal structures are discussed.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2024

Tuning crosslinking of hybrid preceramic polymers in vat photopolymerization toward controlled ceramic yields

Control of preceramic polymer crosslinking for UV-curable processing is essential for fine 3D printing with high ceramic conversion for sustainable polymer-derived ceramics (PDC) engineering. While various factors influencing ceramic yield have been studied, the systematic exploration of the relationship between crosslinking and ceramic yield, especially when crosslinking increases volatile elements, remains open for further investigation. This study addresses this gap by utilizing vat photopolymerization (VP) additive manufacturing (AM) as a versatile platform for controlling preceramic crosslinking and ceramic yield. By rationally designing and tuning the photochemical crosslinking through digital light processing (DLP), we demonstrate that the ceramic yield can be enhanced from 64% to over 86%, even with added volatile elements. We reveal that the post-pyrolysis ceramic yield can be closely correlated with the pre-pyrolysis crosslinking of the preceramic network represented by its stiffness. This correlation thereby suggests a fast, energy-efficient, non-destructive methodology to predict and improve ceramic yield. Combined with these findings, our one-pot thiol-ene hybridization of polycarbosilane and polycarbosiloxane via DLP offers an exemplary method to generate hybrid preceramic polymers with tailored material properties toward target applications, and potentially even higher ceramic yields. This study thus contributes to achieving better resource- and energy-efficient preceramic polymer and PDC processing routes toward sustainable, advanced organic–inorganic materials manufacturing.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

Photoluminescence of Cis-Polyacetylene Semiconductor Material

Photoluminescence (PL) is one of the key experimental characterizations of optoelectronic materials, including conjugated polymers (CPs). In this study, a simplified model of an undoped cis-polyacetylene (cis-PA) oligomer was selected and used to explain the mechanism of photoluminescence (PL) of the CPs. Using a combination of the ab initio electronic structure and a time-dependent density matrix methodology, the photo-induced time-dependent excited state dynamics were computed. We explored the phonon-induced relaxation of the photoexcited state for a single oligomer of cis-PA. Here, the dissipative Redfield equation of the motion was used to compute the dissipative excited state dynamics of electronic degrees of freedom. This equation used the nonadiabatic couplings as parameters. The computed excited state dynamics showed that the relaxation rate of the electron is faster than the relaxation rate of the hole. The dissipative excited-state dynamics were combined with radiative recombination channels to predict the PL spectrum. The simulated results showed that the absorption and emission spectra both have a similar transition. The main result is that the computed PL spectrum demonstrates two mechanisms of light emission originating from (i) the inter-band transitions, corresponding to the same range of transition energies as the absorption spectrum and (ii) intra-band transitions not available in the absorption spectra. However, the dissipative Redfield equation of the motion was used to compute the electronic degrees of freedom of the nonadiabatic couplings, which helped to process the time propagation of the excited dynamic state. This excited dynamic state shows that the relaxation rate of the electron is faster than the relaxation rate of the hole, which can be used for improving organic semiconductor materials for photovoltaic and LED applications.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Nitroxide Radical Polymer–Solvent Interactions and Solubility Parameter Determination

Redox-active polymers such as macromolecular nitroxide radicals have been studied as electrode materials for organic batteries and electronics. Polymer–solvent interactions are essential to processing and device performance, but macromolecular nitroxide radical–solvent interactions are currently not well described. In this work, the Hildebrand and Hansen solubility parameters of poly(2,2,6,6-tetramethylpiperidinyloxy-4-yl methacrylate) (PTMA), oxidized PTMA (PTMA + ), and PTMA’s precursor (PTMPM) are determined using both experimental and group contribution methods for the first time. This work indicates that the hydrogen-bonding Hansen solubility parameter (δ h ) and the solubility sphere radii (R) provide the best prediction of the macromolecular radical’s interaction with solvents. From these solubility parameters, the group contribution values for the nitroxide and oxoammonium cation were then calculated. It is shown that this information allows for the prediction of polymer–solvent interactions for other nitroxide-based macromolecular radicals. Lastly, the discovered solubility parameters are used to predict PTMA electrode formulations for batteries that outperform controls.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Understanding High-Voltage Behavior of Sodium-Ion Battery Cathode Materials Using Synchrotron X-ray and Neutron Techniques: A Review

Despite substantial research efforts in developing high-voltage sodium-ion batteries (SIBs) as high-energy-density alternatives to complement lithium-ion-based energy storage technologies, the lifetime of high-voltage SIBs is still associated with many fundamental scientific questions. In particular, the structure phase transition, oxygen loss, and cathode–electrolyte interphase (CEI) decay are intensely discussed in the field. Synchrotron X-ray and neutron scattering characterization techniques offer unique capabilities for investigating the complex structure and dynamics of high-voltage cathode behavior. In this review, to accelerate the development of stable high-voltage SIBs, we provide a comprehensive and thorough overview of the use of synchrotron X-ray and neutron scattering in studying SIB cathode materials with an emphasis on high-voltage layered transition metal oxide cathodes. We then discuss these characterizations in relation to polyanion-type cathodes, Prussian blue analogues, and organic cathode materials. Finally, future directions of these techniques in high-voltage SIB research are proposed, including CEI studies for polyanion-type cathodes and the extension of neutron scattering techniques, as well as the integration of morphology and phase characterizations.

25 ENERGY STORAGE↗
DOE OSTI2026

Spatial and temporal characterization of municipal solid waste based on resource recovery pathways

This study presents a two-year, quarterly assessment of MSW across four source sectors (residential, schools, restaurants, and grocery stores) from sixteen sites across five U.S. states. MSW was manually sorted into 27 categories and aggregated into pathway fractions: high-moisture (HM) organics, low-moisture (LM) organics, recyclable (RC) materials, and residuals for disposal. Organics represented 89 % of the MSW stream. The largest fraction was HM organics consisting of food waste (31 %) and yard waste (3 %), with large coefficient of variations (CV), 79 and 278 %, respectively, reflecting high seasonal and site variability that varied significantly (p < 0.01) across sampling periods. The HM fraction showed properties favorable for anaerobic digestion, with moisture content ranging from 56 to 95 % and volatile solids ranges of 86-95 %. In contrast, the LM and RC fractions remained more stable (plastics CV = 41 %; paper CV = 53 %) with heating values up to 26.9 MJ/kg across sources, reflecting suitability for gasification. Microstructural analysis revealed less porosity in residential waste sampled at the landfill, which can influence preprocessing efficiency and microbial accessibility. Pathway informed allocations showed that 35 % of MSW is suitable for anaerobic digestion, 36 % for gasification, and 18 % for recycling, leaving 11 % requiring landfill disposal. These results provide quantitative evidence to determine feedstock allocation, waste-to-energy system design, and the development of data-driven sustainability and resource recovery strategies within a circular bioeconomy.

09 BIOMASS FUELS↗
DOE OSTI2024

Biocomposite thermoplastic polyurethanes containing evolved bacterial spores as living fillers to facilitate polymer disintegration

The field of hybrid engineered living materials seeks to pair living organisms with synthetic materials to generate biocomposite materials with augmented function since living systems can provide highly-programmable and complex behavior. Engineered living materials have typically been fabricated using techniques in benign aqueous environments, limiting their application. In this work, biocomposite fabrication is demonstrated in which spores from polymer-degrading bacteria are incorporated into a thermoplastic polyurethane using high-temperature melt extrusion. Bacteria are engineered using adaptive laboratory evolution to improve their heat tolerance to ensure nearly complete cell survivability during manufacturing at 135 °C. Furthermore, the overall tensile properties of spore-filled thermoplastic polyurethanes are substantially improved, resulting in a significant improvement in toughness. The biocomposites facilitate disintegration in compost in the absence of a microbe-rich environment. Finally, embedded spores demonstrate a rationally programmed function, expressing green fluorescent protein. This research provides a scalable method to fabricate advanced biocomposite materials in industrially-compatible processes.

36 MATERIALS SCIENCE↗