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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 415 records · Page 23
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Structure-property relationship between lignin structures and properties of 3D-printed lignin composites

Lignin is a low-cost and renewable bioresource with a huge annual production promising to prepare sustainable materials. However, the poor interfacial adhesion between many lignin-polymer pairs deteriorates the mechanical performance of the composites, which seriously limits the application of lignin in 3D printing via fused depositional modeling. This work examined lignin-polyamide 12 (PA 12) intermolecular interactions (e.g., hydrogen bonding) to address the interface challenge. To realize this goal, the phenolic hydroxyl content was increased for a kraft softwood lignin using a LiBr/HBr demethylation procedure, increasing phenoxy content by 61.7%. Increased hydrogen bonding interactions between modified lignin (Pine-Lig-OH) and PA 12 demonstrated a significantly improved molten dynamic modulus by rheological analysis. Regarding mechanical properties, by adding 20 wt% of Pine-Lig-OH, the tensile strength and Young's modulus reached 46.6 MPa and 1.62 GPa, 30.2% and 33.9% higher than PA 12, respectively. Further morphological analysis proved the interfacial interactions are enhanced by showing the difference in the phase gaps. The dynamic mechanical analysis (DMA) supported the conclusion that Pine-Lig-OH could interact with polymer chains, alternating segmental movements due to the strong interaction. Here, this study presents a method to enhance lignin composite properties by promoting interactions with the polymer matrix through modified functional groups, guiding future lignin composite research.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Memory-efficient emulation of physical tabular data using quadtree decomposition

Computationally expensive functions are sometimes replaced in simulations with an emulator that approx-imates the true function (e.g., equations of state, wavelength-dependent opacity, or composition-dependent materials properties). For functions that have a constrained domain of interest, this can be done by discretizing the domain and performing a local interpolation on the tabulated function values of each local domain. For these so-called tabular data methods, the method of discretizing the domain and mapping the input space to each subdomain can drastically influence the memory and computational costs of the emulator. This is especially true for functions that vary drastically in different regions. We present a method for domain discretization and mapping that utilizes quadtrees, which results in significant reductions in the size of the emulator with minimal increases to computational costs or loss of global accuracy. We apply our method to the electron-positron Helmholtz free energy equation of state and show over an order of magnitude reduction in memory costs for reasonable levels of numerical accuracy.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2024

Assessment of Cementitious Composites for High-Temperature Geothermal Wells

High-temperature (HT) geothermal wells can provide green power 24 hours a day, 7 days a week. Under harsh environmental and operational conditions, the long-term durability requirements of such wells require special cementitious composites for well construction. This paper reports a comprehensive assessment of geothermal cement composites in cyclic pressure function laboratory tests and field exposures in an HT geothermal well (300–350 °C), as well as a numerical model to complement the experimental results. Performances of calcium–aluminate cement (CAC)-based composites and calcium-free cement were compared against the reference ordinary Portland cement (OPC)/silica blend. The stability and degradation of the tested materials were characterized by crystalline composition, thermo-gravimetric and elemental analyses, morphological studies, water-fillable porosity, and mechanical property measurements. All CAC-based formulations outperformed the reference blend both in the function and exposure tests. The reference OPC/silica lost its mechanical properties during the 9-month well exposure through extensive HT carbonation, while the properties of the CAC-based blends improved over that period. The Modified Cam-Clay (MCC) plasticity parameters of several HT cement formulations were extracted from triaxial and Brazilian tests and verified against the experimental results of function cyclic tests. These parameters can be used in well integrity models to predict the field-scale behavior of the cement sheath under geothermal well conditions.

15 GEOTHERMAL ENERGY↗
DOE OSTI2022

Improving Structural Integrity of Direct Laser-Deposited Ni – Co – Cr – Al – Y Superalloys by Alloy Modification

Abstract Ni- and Co-based M–Cr–Al–Y (M = Ni and/or Co), dual phase β and γ/γ′, β—Ni–Al, γ—Ni(Co, Cr), and γ′—Ni3–Al superalloys exhibit several beneficial high-temperature (>1000 °C) (2012 °F) strength and corrosion resistance properties. Our study investigates the feasibility of fabricating a commercially available Ni–Co–Cr–AlY alloy (tradename “Amdry 386”) using laser directed energy deposition (laser-DED). A significant challenge for laser fabrication of bulk Amdry 386 (A386) structures stems from the presence of relatively higher amounts of the β phase than γ/γ′ phases. While prior studies report laser fabrication of these materials in coating and cladding configurations, bulk structures have not been realized. To investigate these challenges, this study was developed to systematically evaluate the effects of modifying the A386 alloy by adding 10, 20, and 30% by weight of a Ni–20%Cr (Ni–Cr) alloy (mainly γ/γ′). Laser-DED-fabricated A386 coupons exhibited a metastable, rapidly solidified β-rich microstructure typical to laser processes. The A386 + Ni–Cr mixtures were processed using laser-DED, and small coupons from each composition were evaluated using SEM, XRD, and microhardness to characterize the as-processed microstructure. Thermodynamic modeling was performed to determine the phase evolution as a function of the alloy composition. The dominating phase switches from β to γ/γ’ between the A386 and A386 + 10% Ni–Cr mixtures, but the increase in structural integrity is not observed until the Ni–Cr additions reach a minimum of 20%. Our results show that the alloy chemistry can be successfully modified to improve the structural integrity of laser-processed structures.

Engineering↗
DOE OSTI2020

Ectomycorrhizal Plant-Fungal Co-invasions as Natural Experiments for Connecting Plant and Fungal Traits to Their Ecosystem Consequences

Introductions and invasions by fungi, especially pathogens and mycorrhizal fungi, are widespread and potentially highly consequential for native ecosystems, but may also offer opportunities for linking microbial traits to their ecosystem functions. In particular, treating ectomycorrhizal (EM) invasions, i.e., co-invasions by EM fungi and their EM host plants, as natural experiments may offer a powerful approach for testing how microbial traits influence ecosystem functions. Forests dominated by EM symbiosis have unique biogeochemistry whereby the secretions of EM plants and fungi affect carbon (C) and nutrient cycling; moreover, particular lineages of EM fungi have unique functional traits. EM invasions may therefore alter the biogeochemistry of the native ecosystems they invade, especially nitrogen (N) and C cycling. By identifying “response traits” that favor the success of fungi in introductions and invasions (e.g., spore dispersal and germination) and their correlations with “effect traits” (e.g., nutrient-cycling enzymes) that can alter N and C cycling (and affect other coupled elemental cycles), one may be able to predict the functional consequences for ecosystems of fungal invasions using biogeochemistry models that incorporate fungal traits. Here, we review what is already known about how EM fungal community composition, traits, and ecosystem functions differ between native and exotic populations, focusing on the example of EM fungi associated with species of Pinus introduced from the Northern into the Southern Hemisphere. We develop hypotheses on how effects of introduced and invasive EM fungi may depend on interactions between soil N availability in the exotic range and EM fungal traits. We discuss how such hypotheses could be tested by utilizing Pinus introductions and invasions as a model system, especially when combined with controlled laboratory experiments. Finally, we illustrate how ecosystem modeling can be used to link fungal traits to their consequences for ecosystem N and C cycling in the context of biological invasions, and we highlight exciting avenues for future directions in understanding EM invasion.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2022

Carrot rhamnogalacturonan I structure and composition changed during 2017 in California

Detailed composition, fine structure, and function were determined for carrot pomace fiber remaining after commercial juice extraction from carrots harvested at four different times during 2017, in different California, USA locations. This pomace was treated with commercial enzymes and the changes in carbohydrate composition were analyzed. The enzyme-treated carrot pomace contained pectic oligosaccharides that were branched, unsaturated, partially acetylated and methylated rhamnogalacturonan I (RG-I) with arabinogalacto-oligosaccharide side chains as well as free galacto-oligosaccharides and galacturono-oligosaccharides detected by MALDI-TOF MS and NMR analysis. The molecular weight and degree of galacto-oligosaccharide polymerization decreased while water solubility increased following enzymatic treatment. While carrot soluble dietary fiber remained relatively constant, insoluble dietary fiber and total dietary fiber increased during the year. The carrot pomace fiber structure changed between the June and September harvests so that it was more susceptible to enzymatic degradation, and its shape became more linear. The diversity of carrot RG-I oligosaccharide structures was the greatest in the enzyme-treated pomace harvested in September and the RG-I became almost completely debranched by the enzyme treatment for the pomace harvested in December. The structural properties of these carrot pomace fiber fractions suggest that they can function as a low viscosity beverage food ingredient, and the rhamnogalacturonan I structure indicated the potential for anti-viral, immuno-modulatory and prebiotic properties. Furthermore, the rhamnogalacturonan structural composition changes during the growing season highlights the need for bioactivity monitoring of carrot pomace obtained from different sources, and harvested at different times during the year.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2022

Impact of non‐framework cation mixing on the structure and crystallization behavior of model high‐level waste glasses

Abstract Spinel crystallization is known to be detrimental to the operation of Joule heated ceramic melters during the vitrification of iron‐rich high‐level nuclear wastes (HLW) into borosilicate glasses. The literature on this subject focuses on tackling the problem by developing empirical constraints to design compositions, which limit the fraction of spinels formed in the melter or by developing empirical models to predict the settling behavior of spinels in the melter as a function of the glass composition. While these empirical models can predict the behavior of most of the compositions, they are not failsafe as there are always some compositions, whose behavior is beyond the predictive ability of these models. This can lead to undesirable situations during the vitrification of the nuclear waste, and therefore an in‐depth investigation of the chemo‐structural descriptors controlling the crystallization behavior in these glasses is warranted. Accordingly, the present study aims to understand the impact of non‐framework cation mixing (i.e., Li + /Na + and Ca 2+ /Na + ) on the structure (through Raman spectroscopy and Mössbauer spectroscopy) and crystallization behavior (through XRD, SEM‐EDS, and vibrating sample magnetometry) of iron‐rich model HLW glasses in the system: (mol.%) x M y O–(25− x ) Na 2 O–9.12 B 2 O 3 –6.4 Al 2 O 3 –51.25 SiO 2 –7.22 Fe 2 O 3 –0.38 MnO–0.08 Cr 2 O 3 –0.55NiO (M y O = Li 2 O or CaO).

Balasubramanya, Nikhila↗
DOE OSTI2023

Multifunctional Fiber-Reinforced Polymer Composites for Damage Detection and Memory

Self-structural health monitoring (SHM) functionalities for fiber-reinforced polymer composites have become highly sought after to ensure the structural safety of newly advancing components in the automotive, civil, mechanical, and aerospace industries. This paper introduces a self-damage detection and memory (SDDM) hybrid composite material, where the structural carbon fiber tow is transformed into a piezoresistive sensor network, and the structural glass fiber operates as electrical insulation. In this study, SDDM specimens were fabricated, and tensile and impact tests were performed. The tensile tests of SDDM specimens find two distinct loading peaks: first where the carbon fiber fails, and second where the glass fiber fails. A linear correlation was observed between the carbon fiber resistance and composite strain up to a threshold, beyond which a sharp nonlinear increase in resistance occurred. The resistance then approached infinity, coinciding with the first loading peak and failure of the carbon fiber elements. This demonstrates the potential for a damage early warning threshold. Additionally, the effect of stitching the sensor tow in a zig-zag pattern over a large area was investigated using tailored fiber placement (TFP) of 1-loop, 3-loop, and 5-loop specimens. Tensile testing found that increasing the number of loops improved the sensor’s accuracy for strain sensing. Furthermore, impact tests were conducted, and as the impact energy progressively increased, the sensor resistance permanently increased. This illustrates a capability for self-memory of microdamage throughout the life cycle of the structure, potentially useful for predicting the remaining life of the composite.

Demo, Luke B. (ORCID:0000000208806522)↗
DOE OSTI2023

Severe, short-term sleep restriction reduces gut microbiota community richness but does not alter intestinal permeability in healthy young men

Sleep restriction alters gut microbiota composition and intestinal barrier function in rodents, but whether similar effects occur in humans is unclear. This study aimed to determine the effects of severe, short-term sleep restriction on gut microbiota composition and intestinal permeability in healthy adults. Fecal microbiota composition, measured by 16S rRNA sequencing, and intestinal permeability were measured in 19 healthy men (mean ± SD; BMI 24.4 ± 2.3 kg/m 2 , 20 ± 2 years) undergoing three consecutive nights of adequate sleep (AS; 7–9 h sleep/night) and restricted sleep (SR; 2 h sleep/night) in random order with controlled diet and physical activity. α-diversity measured by amplicon sequencing variant (ASV) richness was 21% lower during SR compared to AS (P = 0.03), but α-diversity measured by Shannon and Simpson indexes did not differ between conditions. Relative abundance of a single ASV within the family Ruminococcaceae was the only differentially abundant taxon (q = 0.20). No between-condition differences in intestinal permeability or β-diversity were observed. Findings indicated that severe, short-term sleep restriction reduced richness of the gut microbiota but otherwise minimally impacted community composition and did not affect intestinal permeability in healthy young men.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2022

Codesigning Alloy Compositions of CdSe y Te 1− y Absorbers and Mg x Zn 1− x O Contacts to Increase Solar Cell Efficiency

Thin‐film solar cells such as CdTe are a major commercial photovoltaic technology, with more than 25 GW installed worldwide and levelized costs of electricity competitive with fossil fuels. Further progress may result from integrating CdSe y Te 1− y absorbers with Mg x Zn 1− x O contacts, but the device efficiency is difficult to maximize due to coupled dependence on chemical composition of both alloys. Herein, a high‐throughput approach is demonstrated to codesign chemical compositions in alloyed Mg x Zn 1− x O/CdSe y Te 1− y thin‐film solar cells, using combinatorial libraries of PV devices with orthogonal composition gradients in CdSe y Te 1− y absorbers and Mg x Zn 1− x O contacts. It is found that the solar cell performance is a strong and coupled function of both elemental compositions, with efficiency up to 17.7% ( V OC = 836 mV, fill factor = 69%, J SC = 30.6 mA cm −2 ) at atomic compositions of Mg/(Mg + Zn) ≈18% and average Se/(Se + Te) ≈4%. These performance trends among >100 devices are explained by >100 ns lifetime of photoexcited charge carriers at the Mg x Zn 1− x O/CdSe y Te 1− y interface where strong Se accumulation is also observed. This study reports the optimal compositions of the commercially relevant Mg x Zn 1− x O/CdSe y Te 1− y solar cells and demonstrates a general approach to codesigning performance of alloyed thin‐film solar cells and other optoelectronic devices.

14 SOLAR ENERGY↗
DOE OSTI2026

An Atom-Precise Approach to Damp First-Order Phase Transitions and Its Implications for Neuromorphic Signal Processing

Neuromorphic computing inspired by mammalian intelligence aims to emulate the nonlinear dynamics of biological neurons and synapses to achieve fast, low-energy, and highly efficient information processing. Brain-inspired computing relies on the design and discovery of materials exhibiting nonlinear current–voltage profiles, frequently underpinned by electronic state transitions, to achieve spiking neurons and dynamically tunable synapses. A signature challenge in the design of artificial neurons is controlling the steepness of first-order transitions in active elements, as abrupt transitions are at risk of driving unstable voltage and temperature oscillations, which result in catastrophic device failure. A critical knowledge gap is the lack of structure–function correlations mapping the composition and atomistic structure of crystalline solids to nonlinear dynamical response characteristics. Here, we address the key question of how modification of atomistic structure correlates with alteration of neuron-like functionality. Constructing oscillator circuits from millimeter-scale single crystals enables high-resolution atomic structure solutions, which we use to demonstrate that the selective positioning of Pb cations modifies charge ordering along a one-dimensional CuxV2O5 framework even at low insertion stoichiometries, thereby providing an atom-precise design parameter for damping first-order transitions. We use temperature-variant X-ray diffraction and X-ray spectroscopy to elucidate the suppression of Cu-ion shuttling based on the precise positioning of Pb ions in seven-coordinated tunnel interstitial sites as the mechanistic basis for transition broadening, thus bridging a critical gap between statistical mechanics and quantum chemical descriptions of phase transitions. Such mechanistic understanding thus paves the way to site-selective modification strategies for modulating the sharpness of first-order transitions, with an exemplary demonstration here in tuning neuronal signal processing.

Crystal structure↗
DOE OSTI2021

Electromagnetic wave absorption of multifunctional cementitious composites incorporating polyvinyl alcohol (PVA) fibers and fly ash: Effects of microstructure and hydration

Highlights: • The cementitious composite shows excellent wide-band electromagnetic wave absorption in a frequency range of 2–18 GHz. • The PVA fibers and the fly ash change the dielectric properties of the cementitious composite by Debye polarization. • The iron oxide of the cementitious binders contributes to the magnetic properties of the composites. • The impacts of the microstructure and the hydration of the cementitious composite on its microwave absorption are analyzed. This paper devises a novel method for the adjustment of the pore structure and the hydration of cement to improve the electromagnetic wave absorption of the cementitious composites incorporating polyvinyl alcohol (PVA) fibers and fly ash in a frequency range of 2–18 GHz. The underlying mechanism of the absorption is investigated to explore the possibility of the structural and functional integration of these composites. The electromagnetic parameters of the prepared cementitious composites and those of the raw materials are analyzed in a frequency range of 0.5–18 GHz. Moreover, the pore structure and the chemical environment of the cementitious composites are examined by mercury intrusion porosimetry (MIP), back-scattered electron detector (BSE), and X-ray photoelectron spectroscopy (XPS). The results indicate that the PVA fibers and the high-volume fly ash have a positive effect on electromagnetic wave absorption of the cementitious composites through the adjustment of their pore structure and hydration.

36 MATERIALS SCIENCE↗
DOE OSTI2026

Citric Acid Functionalized Natural Fibers to Enhance Thermal Stability and Moisture Resistance in Polylactic Acid Composites

Cellulosic fibers can impart many unique benefits into composite applications, such as reduced weight or structural reinforcement; however, these materials also increase hygroscopicity and decrease thermal stability, restricting broader applications. The present work adapted an experimental process for functionalizing the cellulose surface using citric acid (CA) for three fibers: a 100% cellulose bleached soft Kraft pulp (e.g., creafill) and two natural fibers with similar composition but different fiber morphology, flax fiber and banana fiber. The process uses CA with a sodium hypophosphite (SHP) catalyst to chemically functionalize fiber surfaces, and the reaction mechanism was investigated through Fourier Transform Infrared Spectroscopy (FTIR), which suggested a grafting mechanism rather than a surface-based crosslinking between neighboring sites. Functionalized fibers were compounded into polylactic acid (PLA) at 20 wt.% to better understand how this functionalization might impact critical performance properties like thermal stability, crystallization, thermal mechanical properties, and water uptake of these composites. The study demonstrated varying levels of efficacy for the functionalization of cellulosic fibers with CA/SHP and the fiber with the most open microstructure, e.g., banana fiber, exhibited the largest change in its properties with a 38% reduction in water uptake compared to untreated banana fiber composites. Parallel evaluation of the functionalization process for different fibers demonstrates the importance of fiber morphology on surface modification and can enable their use in composites by demonstrating the efficacy of this potentially low-cost, low-toxicity method for reducing hygroscopicity and improving thermal stability.

citric acid↗
DOE OSTI2023

Bioinspired mineralizing microenvironments generated by liquid-liquid phase coexistence

Biominerals such as bones, teeth and shells exhibit improved mechanical properties and intricate morphologies not seen in nonbiologically-produced minerals of ostensibly the same composition. These remarkable properties of biogenic minerals are thought to arise due to precise local control over the mineral deposition process, including organic and inorganic inclusions. Understanding how Biology controls the local reaction environment during formation of these materials to control their composition, structure, and properties is a grand challenge that promises to enable new routes to high-performance materials. This project developed multi-compartment bioinspired microreactors as artificial mineralizing vesicles, and used them to understand and control formation of inorganic/organic composite solid materials. A major emphasis was on developing all-aqueous emulsions in which each droplet was a structured microreactor with two or more adjacent phases. This approach provided local control over reaction environment including availability of inclusions such as polypeptides and metal ions, while being sufficiently simple to produce large populations of essentially identical multiphase reactor droplets simultaneously within a batch. Organic/inorganic composite materials could be produced with very high organic content that stabilized the inorganic portions as amorphous materials (e.g., amorphous calcium carbonate) by preventing the typical conversion to more thermodynamically crystalline forms (e.g., calcite). These stabilized amorphous composites could be stored indefinitely and converted to crystalline forms later by removal of the organic inclusions via, for example, heating. Compositional gradients in the organic and inorganic components were embedded during synthesis due to the evolution of the reaction microenvironment, and despite the complexity of this process it occurred similarly across the population of reactive droplets and was hence encoded into the population of resulting composite particles. The approach developed here allows pre-structuring of reactive microenvironments to control the spatiotemporal reaction environment, which is an important step towards rational design and on-demand production of complex functional materials with desired composition, optical properties, and mechanical response.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Understanding the Effect of Cathode Composition on the Interface and Crosstalk in NMC/Si Full Cells

Crosstalk between the cathode and the anode in lithium-ion batteries has a great impact on performance, safety, and cycle lifetime. Still, no report exists for a systematic investigation on crosstalk behavior in silicon (Si)-based cells as a function of transition metal composition in cathodes. We studied the effect of crosstalk on degradation of Si-rich anodes in full cells with different cathodes having the same crystal structure but different transition metal compositions, such as LiNi 1/3 Mn 1/3 Co 1/3 O 2 (NM111), LiNi 0.5 Mn 0.3 Co 0.2 O 2 (NMC532), and LiNi 0.8 Mn 0.1 Co 0.1 O 2 (NMC811). We found that the transition metal composition in cathodes, especially Mn ion concentration, significantly affects electrolyte decomposition reactions, even from very early cycles. This change causes differences in the solid electrolyte interphase (SEI) chemistry of each aged Si sample. As a result, each of the aged Si samples has a different electrochemistry, in terms of initial Coulombic efficiency and the mechanism of capacity fade.

25 ENERGY STORAGE↗
DOE OSTI2024

Nasicon dual ion conductors for all solid-state batteries

A super ion conductor composition is disclosed. The super ion conductor composition has the general formula: A 1+x M x/2 Zr 2−x/2 (PO 4 ) 3 , where each A is independently Na or Li, M is Mn or Mg, and subscript x is from 0.5 to 3. A solid electrolyte comprising the super ion conductor composition, and a method of preparing the solid electrolyte, are also disclosed. The method comprises combining a zirconium compound, a manganese or magnesium compound, a sodium compound, and a phosphate compound to give a mixture; and calcining the mixture to give the super ion conductor composition, thereby preparing the solid electrolyte. Functional materials and devices comprising the super ion conductor composition are also disclosed, including a catholyte composition, an ion conducting solid electrolyte membrane, as well as all-solid-state batteries.

Amin, Ruhul↗