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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 1,423 records · Page 79
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Determining the Length Scale of Transport Impedances in Li-Ion Electrodes: Li(Ni 0.33 Mn 0.33 Co 0.33 )O 2

Battery cathodes are complex multiscale, multifunctional materials. The length scale at which the dominant impedance arises may be difficult to determine even with the most advanced experimental characterization efforts, and thus modeling can play an important role in analysis. Discharge and voltage relaxation curves, interrogated with theory, are used to distinguish between transport impedance that arise on the scale of the active crystal and on the scale of agglomerates (secondary particles) comprised of nanoscale crystals. Model-selection algorithms are applied to determine that the agglomerate scale is dominant in the Li Ni 0.33 Mn 0.33 Co 0.33 O 2 electrode studied here. Furthermore, conditions where the agglomerate and crystal-scale models yield distinct simulation results are demonstrated, providing approaches that can be applied to other systems.

25 ENERGY STORAGE↗
DOE OSTI2017

Interaction of TiS 2 and Sulfur in Li-S Battery System

With the ability to adsorb polysulfide, electronically conductive and electrochemically active TiS 2 is an effective multifunctional cathode additive to improve Li-S battery cycling performance. Furthermore, by using X-ray Photoelectron Spectroscopy (XPS), direct evidence is obtained to demonstrate the strong interaction between Li-polysulfide and TiS 2 . The observation of Li signature on Li 2 S 8 treated TiS 2 proves that the TiS 2 possesses the ability to adsorb Li-polysulfides species on its surface. An electron density transfer from Ti to Li and S is identified based on the positions of the peaks in the XPS spectrum before and after the interaction, which is consistent with the theoretically predicted polysulfide-TiS 2 interaction models in the literature. TiS 2 sample with 2.5x higher BET surface area is obtained by milling the raw TiS 2 particles and used as cathode additive in the sulfur electrode. Furthermore, in the presence of TiS 2 additive, long cycle life and improved sulfur utilization of Li-S cells under high rate discharge are demonstrated. In addition, we find that a uniform TiS 2 distribution in the sulfur-TiS 2 hybrid electrode is vital in determining its effectiveness in enhancing the performance of sulfur electrodes. Thus, by processing method and condition should be very important considerations in future development of sulfur electrodes with TiS 2 additive.

25 ENERGY STORAGE↗
DOE OSTI2015

Editorial: Functional nanomaterials for energy applications

In order to leap forward from the energy crisis issues and improve lifestyle, we all are looking positively toward nanomaterials or nanostructures. Thus, the exploration of new features of both typical and novel materials at the nanoscale level is playing important role in the development of innovative and improved energy technologies that have the capability of conserve/convert energy at large extend. By tailoring the surface morphology of materials in its nanoforms, the functional properties can be significantly adapted and specifically combined to produce highly potent multifunctional materials for conversion, storage, and consumption of energy in various forms. The papers selected for this special issue represent a good panel for addressing various energy applications including solar cell, fuel cells, nanofluid twisters, and gas sensors. Of course, the selected topic and the papers are not an exhaustive representation of the utilization of functional nanomaterials for energy applications. Nevertheless, they represent the rich and many-facet knowledge, which we have the pleasure of sharing with the readers.

14 SOLAR ENERGY↗
DOE OSTI2017

Recent Progress in Synthesis and Application of Low-Dimensional Silicon Based Anode Material for Lithium Ion Battery

Silicon is regarded as the next generation anode material for LIBs with its ultra-high theoretical capacity and abundance. Nevertheless, the severe capacity degradation resulting from the huge volume change and accumulative solid-electrolyte interphase (SEI) formation hinders the silicon based anode material for further practical applications. Hence, a variety of methods have been applied to enhance electrochemical performances in terms of the electrochemical stability and rate performance of the silicon anodes such as designing nanostructured Si, combining with carbonaceous material, exploring multifunctional polymer binders, and developing artificial SEI layers. Silicon anodes with low-dimensional structures (0D, 1D, and 2D), compared with bulky silicon anodes, are strongly believed to have several advanced characteristics including larger surface area, fast electron transfer, and shortened lithium diffusion pathway as well as better accommodation with volume changes, which leads to improved electrochemical behaviors. Finally, in this review, recent progress of silicon anode synthesis methodologies generating low-dimensional structures for lithium ion batteries (LIBs) applications is listed and discussed.

25 ENERGY STORAGE↗
DOE OSTI2022

Profile of Twenty-Three Human Milk Oligosaccharides in Han Chinese Mothers throughout Postpartum 1 year

Human milk oligosaccharides (HMOs) are multifunctional carbohydrates in breast milk, which are composed by a variety of structures. This study aimed to identified HMOs concentration profile, milk microbiota composition, and the associations with major maternal characteristics in Han Chinese mothers in the one-year lactation period. Seventeen healthy mothers aged from 28 to 36 years, who gave birth to healthy term infants, were recruited. Carbohydrates were detected using the MIRIS human milk analyzer (HMA), and twenty-three HMOs were quantified using ultra-performance liquid chromatography-triple quadrupole mass spectrometry (UPLC-MS). Results showed that carbohydrates were relatively stable, while total HMO concentrations ranged from 1.74 to 9.72 g/L and decreased gradually over lactation in breast milk. Based on the structure, seven sialylated HMOs concentration showed the significant decline ( p < 0.05 ) after three months in lactation. In addition, the relationships between maternal factors, containing the lactation period, genetic status, delivery mode, parity, and milk microbiota profile, and the HMO composition in healthy women, which still need further investigations, were observed.

Xun, Yiping↗
DOE OSTI2022

Therapeutic Targeting of LIF Overcomes Macrophage-mediated Immunosuppression of the Local Tumor Microenvironment

Abstract Purpose: Leukemia inhibitory factor (LIF) is a multifunctional cytokine with numerous reported roles in cancer and is thought to drive tumor development and progression. Characterization of LIF and clinical-stage LIF inhibitors would increase our understanding of LIF as a therapeutic target. Experimental Design: We first tested the association of LIF expression with transcript signatures representing multiple processes regulating tumor development and progression. Next, we developed MSC-1, a high-affinity therapeutic antibody that potently inhibits LIF signaling and tested it in immune competent animal models of cancer. Results: LIF was associated with signatures of tumor-associated macrophages (TAM) across 7,769 tumor samples spanning 22 solid tumor indications. In human tumors, LIF receptor was highly expressed within the macrophage compartment and LIF treatment drove macrophages to acquire immunosuppressive capacity. MSC-1 potently inhibited LIF signaling by binding an epitope that overlaps with the gp130 receptor binding site on LIF. MSC-1 showed monotherapy efficacy in vivo and drove TAMs to acquire antitumor and proinflammatory function in syngeneic colon cancer mouse models. Combining MSC-1 with anti-PD1 leads to strong antitumor response and a long-term tumor-free survival in a significant proportion of treated mice. Conclusions: Overall, our findings highlight LIF as a therapeutic target for cancer immunotherapy.

Oncology↗
DOE OSTI2022

Characterization of micro-sandwich structures via direct ink writing epoxy based cores

Sandwich structured (SS) composites demonstrate considerable flexural stiffness and high strength-to-weight ratios and can be tailored as functional materials. Historically they have been constrained to specific material types and geometry due to limitations in manufacturing methods. However, employing additive manufacturing (AM), specifically direct ink writing (DIW), can provide an alternative method for making SS composites with complex and controllable micro and mesostructures with multifunctionality targeted at desired mechanical, thermal, and electrical properties. DIW, an extrusion-based AM technique, uses a viscous and thixotropic ink with desired components that, once printed, is cured to obtain the final complex net shape parts. In this paper, a novel hybrid AM technique is employed to manufacture SS composite materials containing bisphenol A-based epoxy core and carbon fiber reinforced polymer (CFRP) face sheets that are fabricated via DIW and vacuum infusion process (VIP), respectfully. We demonstrate that the fabrication of these SS composites can be tailored from a thermosetting material, from which additives and/or various lattice structures can be manufactured to achieve enhanced and desirable mechanical integrity with functional properties. Surface topology and mechanical testing techniques are used to characterize the fabricated hybrid SS composites to study and assess mechanical stability. A rheo-kinetic cure model was developed for the core material to allow for additive manufacturing process requirements while ensuring complete cross-linking for the thermoset-based core material. Because of the ability to obtain relatively small core-thickness and controlled architecture, this method now allows for fabricating layered micro-sandwich structures for realizing further light-weighting in relevant applications.

36 MATERIALS SCIENCE↗
DOE OSTI2013

The crystal structures of the tri-functional Chloroflexus aurantiacus and bi-functional Rhodobacter sphaeroides malyl-CoA lyases and comparison with CitE-like superfamily enzymes and malate synthases

Background: Malyl-CoA lyase (MCL) is a promiscuous carbon-carbon bond lyase that catalyzes the reversible cleavage of structurally related Coenzyme A (CoA) thioesters. This enzyme plays a crucial, multifunctional role in the 3- hydroxypropionate bi-cycle for autotrophic CO2 fixation in Chloroflexus aurantiacus. A second, phylogenetically distinct MCL from Rhodobacter sphaeroides is involved in the ethylmalonyl-CoA pathway for acetate assimilation. Both MCLs belong to the large superfamily of CitE-like enzymes, which includes the name-giving β-subunit of citrate lyase (CitE), malyl-CoA thioesterases and other enzymes of unknown physiological function. The CitE-like enzyme superfamily also bears sequence and structural resemblance to the malate synthases. All of these different enzymes share highly conserved catalytic residues, although they catalyze distinctly different reactions: C-C bond formation and cleavage, thioester hydrolysis, or both (the malate synthases). Results: Here we report the first crystal structures of MCLs from two different phylogenetic subgroups in apo- and substrate-bound forms. Both the C. aurantiacus and the R. sphaeroides MCL contain elaborations on the canonical β8/α8 TIM barrel fold and form hexameric assemblies. Upon ligand binding, changes in the C-terminal domains of the MCLs result in closing of the active site, with the C-terminal domain of one monomer forming a lid over and contributing side chains to the active site of the adjacent monomer. The distinctive features of the two MCL subgroups were compared to known structures of other CitE-like superfamily enzymes and to malate synthases, providing insight into the structural subtleties that underlie the functional versatility of these enzymes. Conclusions: Although the C. aurantiacus and the R. sphaeroides MCLs have divergent primary structures (~37% identical), their tertiary and quaternary structures are very similar. It can be assumed that the C-C bond formation catalyzed by the MCLs occurs as proposed for malate synthases. However, a comparison of the two MCL structures with known malate synthases raised the question why the MCLs are not also able to hydrolyze CoA thioester bonds. Our results suggest the previously proposed reaction mechanism for malate synthases may be incomplete or not entirely correct. Further studies involving site-directed mutagenesis based on these structures may be required to solve this puzzling question.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2018

Biomass augmentation through thermochemical pretreatments greatly enhances digestion of switchgrass by Clostridium thermocellum

Background: The thermophilic anaerobic bacterium Clostridium thermocellum is a multifunctional ethanol producer, capable of both saccharifcation and fermentation, that is central to the consolidated bioprocessing (CBP) approach of converting lignocellulosic biomass to ethanol without external enzyme supplementation. Although CBP organisms have evolved efcient machinery for biomass deconstruction, achieving complete solubilization requires targeted approaches, such as pretreatment, to prepare recalcitrant biomass feedstocks for further biological digestion. Here, diferences between how C. thermocellum and fungal cellulases respond to senescent switchgrass prepared by four diferent pretreatment techniques revealed relationships between biomass substrate composition and its digestion by the two biological approaches. Results: Alamo switchgrass was pretreated using hydrothermal, dilute acid, dilute alkali, and co-solvent-enhanced lignocellulosic fractionation (CELF) pretreatments to produce solids with varying glucan, xylan, and lignin compositions. C. thermocellum achieved highest sugar release and metabolite production from de-lignifed switchgrass prepared by CELF and dilute alkali pretreatments demonstrating greater resilience to the presence of hemicellulose sugars than fungal enzymes. 100% glucan solubilization and glucan plus xylan release from switchgrass were achieved using the CELF–CBP combination. Lower glucan solubilization and metabolite production by C. thermocellum was observed on solids prepared by dilute acid and hydrothermal pretreatments with higher xylan removal from switchgrass than lignin removal. Further, C. thermocellum (2% by volume inoculum) showed ~48% glucan solubilization compared to <10% through fungal enzymatic hydrolysis (15 and 65 mg protein/g glucan loadings) of unpretreated switchgrass indicating the efectiveness of C. thermocellum’s cellulosome. Overall, C. thermocellum performed equivalent to 65 and better than 15 mg protein/g glucan fungal enzymatic hydrolysis on all substrates except CELFpretreated substrates. CELF pretreatments of switchgrass produced solids that were highly digestible regardless of whether C. thermocellum or fungal enzymes were chosen. Conclusions: The unparalleled comprehensive nature of this work with a comparison of four pretreatment and two biological digestion techniques provides a strong platform for future integration of pretreatment with CBP. Lignin removal had a more positive impact on biological digestion of switchgrass than xylan removal from the biomass. However, the impact of switchgrass structural properties, including cellulose, hemicellulose, and lignin characterization, would provide a better understanding of lignocellulose deconstruction.

09 BIOMASS FUELS↗
DOE OSTI2025

Freestanding VO 2 membranes on epidermal nanomesh for ultra-sensitive correlated breathable sensors

The interest in highly sensitive sensors is rapidly increasing for detecting very tiny signals for Internet of Things devices. Here, we achieve ultra-sensitive correlated breathable sensors based on freestanding VO 2 membranes. We fabricate the membranes by growing VO 2 films onto sacrificial Sr 3 Al 2 O 6 layer grown on SrTiO 3 , selectively dissolving the Sr 3 Al 2 O 6 in water, and then rendering freestanding VO 2 membrane on nanomesh. The nanomeshes are extremely flexible, sweat permeable, and readily skin-adhesive. The resistance of the VO 2 membranes is reversibly tuned by human’s tiny mechanical stimuli and breath stimuli. The stimuli modulate the Peierls dimerization of one-dimensional V-V chains in the VO 2 lattice which concomitantly controls the electron correlation and hence resistivity. Since our breathable sensors operate based on quantum-mechanical correlation effects, their sensitivity is 1-2 orders of magnitude higher than conventional tactile and respiratory sensors based on other materials. Thus, the freestanding membranes of correlated oxides on epidermal nanomeshes are multifunctional platforms for developing ultra-sensitive correlated breathable sensors.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Cortical Proteins and Individual Differences in Cognitive Resilience in Older Adults

Background and objectives: Cognitive resilience is a well-recognized concept, but knowledge gaps about its underlying mechanisms have made it difficult to develop instruments that identify older adults with high or low resilience. We tested whether aggregating cortical peptides associated with cognitive resilience into an index can identify adults with higher or lower cognitive resilience. Methods: We used data from 1,192 older decedents, including annual clinical testing, indices of 10 Alzheimer disease (AD) and related dementia (ADRD) pathologies, and 226 proteotypic peptides measured in the dorsal lateral prefrontal cortex. We used linear mixed-effects models to identify peptides that were related to cognitive resilience (i.e., cognitive decline not explained by ADRD pathologies [false discovery rate <0.05]). We aggregated the expression levels of these resilience peptides into a person-specific cognitive resilience index and examined its association with AD clinical and pathologic phenotypes. Results: We constructed a resilience index from 52 of 226 peptides related to cognitive resilience. A higher index was associated with slower cognitive decline (estimate 0.05, SE 0.003, p < 0.001) and slower motor decline (estimate 0.005, SE 0.001, p < 0.001). Most resilience peptides (70%) were specific to cognitive decline, but 30% also provided resilience for motor decline. A higher index was also related to a lower burden of AD pathologies (odds ratio [OR] 0.41, SE 0.01, p < 0.001) and modified the association of AD pathology with cognition in that a higher index modified the negative effects of AD pathology on AD dementia proximate to death (OR 0.70, SE 0.14, p = 0.010). Up to 90% of cognitive resilience peptides were related to AD pathologic phenotypes. Discussion: Cortical proteins may provide some degree of cognitive resilience. These multifunctional proteins also seem to provide resilience to other AD clinical phenotypes and have independent associations with ADRD pathologies. Resilience proteins may be high-value therapeutic targets for drug discovery of interventions that maintain brain health in aging adults via multiple pathways.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2020

Membrane Metasurfaces

We introduce Mie-resonant dielectric membrane metasurfaces for THz frequencies. We design silicon membrane metasurfaces with the 2π phase coverage and high transmission efficiencies to provide novel opportunities for an efficient wavefront control and multifunctional operations.

Yang, Quanlong↗
DOE OSTI2017

Reconfigurable room temperature metamaterial infrared emitter

The marriage of micro/nanoelectromechanical systems with metamaterials offers a viable route to achieving reconfigurable devices, which control the emission of energy. Here we propose and demonstrate the idea of a metamaterial microelectromechanical system (MEMS) capable of tailoring the energy emitted from a surface, without changing the temperature, but, instead, only altering the spectral emissivity. Our metamaterial achieves a range of emissivities equivalent to a nearly 20°C temperature change when viewed with a thermal infrared camera. We tessellate a surface with individually reconfigurable MEMS metamaterial pixels, thus realizing a spatiotemporal emitter capable of displaying thermal infrared patterns up to 110 kHz. Furthermore, our results may be scaled to nearly any sub-optical range of the electromagnetic spectrum, and validate the potential of MEMS metamaterials to operate as reconfigurable multifunctional devices with unprecedented energy control capabilities.

36 MATERIALS SCIENCE↗
DOE OSTI2020

A computational model tracks whole-lung Mycobacterium tuberculosis infection and predicts factors that inhibit dissemination

Mycobacterium tuberculosis (Mtb), the causative infectious agent of tuberculosis (TB), kills more individuals per year than any other infectious agent. Granulomas, the hallmark of Mtb infection, are complex structures that form in lungs, composed of immune cells surrounding bacteria, infected cells, and a caseous necrotic core. While granulomas serve to physically contain and immunologically restrain bacteria growth, some granulomas are unable to control Mtb growth, leading to bacteria and infected cells leaving the granuloma and disseminating, either resulting in additional granuloma formation (local or non-local) or spread to airways or lymph nodes. Dissemination is associated with development of active TB. It is challenging to experimentally address specific mechanisms driving dissemination from TB lung granulomas. Herein, we develop a novel hybrid multi-scale computational model, MultiGran, that tracks Mtb infection within multiple granulomas in an entire lung. MultiGran follows cells, cytokines, and bacterial populations within each lung granuloma throughout the course of infection and is calibrated to multiple non-human primate (NHP) cellular, granuloma, and whole-lung datasets. We show that MultiGran can recapitulate patterns of in vivo local and non-local dissemination, predict likelihood of dissemination, and predict a crucial role for multifunctional CD8+ T cells and macrophage dynamics for preventing dissemination.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2020

Fused filament fabrication of polymer composites for extreme environments

Vast improvements have been made to the capabilities of advanced manufacturing (AM), yet there are still limitations on which materials can effectively be used in the technology. To this end, parts created using AM would benefit from the ability to be developed from feedstock materials incorporating additional functionality. A common three-dimensional (3D) printing polymer, acrylonitrile butadiene styrene, was combined with bismuth and polyvinylidene fluoride via a solvent treatment to fabricate multifunctional composite materials for AM. Composites of varying weight percent loadings were extruded into filaments, which were subsequently 3D printed into blocks via fused filament fabrication. Investigating the material properties demonstrated that in addition to the printed blocks successfully performing as radiation shields, the chemical, thermal, and mechanical properties are suitable for AM. Thus, this work demonstrates that it is possible to enhance AM components with augmented capabilities while not significantly altering the material properties which make AM possible.

36 MATERIALS SCIENCE↗
DOE OSTI2015

Long-range, low-cost electric vehicles enabled by robust energy storage

ABSTRACT A variety of inherently robust energy storage technologies hold the promise to increase the range and decrease the cost of electric vehicles (EVs). These technologies help diversify approaches to EV energy storage, complementing current focus on high specific energy lithium-ion batteries. The need for emission-free transportation and a decrease in reliance on imported oil has prompted the development of EVs. To reach mass adoption, a significant reduction in cost and an increase in range are needed. Using the cost per mile of range as the metric, we analyzed the various factors that contribute to the cost and weight of EV energy storage systems. Our analysis points to two primary approaches for minimizing cost. The first approach, of developing redox couples that offer higher specific energy than state-of-the-art lithium-ion batteries, dominates current research effort, and its challenges and potentials are briefly discussed. The second approach represents a new insight into the EV research landscape. Chemistries and architectures that are inherently more robust reduce the need for system protection and enables opportunities of using energy storage systems to simultaneously serve vehicle structural functions. This approach thus enables the use of low cost, lower specific energy chemistries without increasing vehicle weight. Examples of such systems include aqueous batteries, flow cells, and all solid-state batteries. Research progress in these technical areas is briefly reviewed. Potential research directions that can enable low-cost EVs using multifunctional energy storage technologies are described.

36 MATERIALS SCIENCE↗
DOE OSTI2015

Obtaining ultimate functionalities in nanocomposites: Design, control, and fabrication

We report that emergent behavior can be achieved in composites by interfacing different materials at the nano- or mesoscales. Integrating different materials on a single platform or forming composite provides a new design paradigm to yield enhanced or novel functionalities that cannot be obtained in individual constituents. Nanocomposites, in particular, have been model systems for enhancing interface effects on physical properties because they provide reduced dimensionality or enlarged interfacial areas. To fabricate technologically relevant multifunctional materials, one needs to understand and control the interactions in different materials by manipulating interfaces at the nano- or mesoscales. Here, this issue of MRS Bulletin focuses on nanocomposites, with an emphasis on approaches to the design and control of the functionalities of composite materials through controlled synthesis and advanced characterization in concert with simulation and modeling.

36 MATERIALS SCIENCE↗
DOE OSTI2016

Metal–organic frameworks for electronics and photonics

Metal–organic frameworks (MOFs), with their crystalline nanoporous three-dimensional structures, have emerged as unique multifunctional materials that combine high porosity with catalytic, photophysical, or other properties to reveal new fundamental science and applications. Because MOFs are composed of organic molecules linking metal centers in ways that are not usually conducive to the formation of free-charge carriers or low-energy charge-transport pathways, they are typically insulators. Accordingly, applications so far have harnessed the unique structural properties and porosity of MOFs, which depend only to a small extent on the ability to manipulate their electronic structure. An exciting new area has emerged due to the recent demonstration of MOFs with controlled electronic and optical properties, which is enabling new fundamental science and opens up the possibility of applications in electronics and photonics. This article presents an overview of the fundamental science issues related to controlling electronic and optical properties of MOFs, and how research groups worldwide have been exploring such properties for electronics, thermoelectrics, photophysics, and charge storage.

solar (photovoltaic), solid state lighting, photos↗