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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 1,063 records · Page 59
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Monitoring the long-term performance of organic redox flow battery by a distribution of relaxation time analysis

Organic redox flow batteries hold great promise as an energy storage technology, but their intricate chemistry makes them vulnerable to various degradation mechanisms. Monitoring this degradation is essential for identifying the limiting processes within the cells. Electrochemical impedance spectroscopy (EIS) offers a straightforward, in-situ method for measuring the total resistance of an operating cell. However, to pinpoint the limiting processes during long-term cycling, EIS data must be complemented by other techniques. Distribution of relaxation time (DRT) analysis is particularly effective for differentiating resistance components. Here, in this study, we perform a comprehensive analysis of resistance evolution and the separation of anode and cathode contributions during long-term cycling of a full cell employing 7,8-dihydroxyphenazine-2-sulfonic acid (DHPS) as the anolyte. Separate analyses of the DHPS anolyte and ferri-/ferrocyanide catholyte were conducted using a symmetric cell setup. The relaxation times derived from symmetric cells facilitate the identification of peaks in the DRT profiles from the full cell. Importantly, the DRT profiles indicate a correlation between the evolution of charge transfer resistance and the chemical degradation of DHPS. The methodologies and results outlined in this study offer significant insights for developing diagnostic tools applicable to other types of redox flow batteries.

Distribution of relaxation time↗
DOE OSTI2012

Individualized 3D Reconstruction of Normal Tissue Dose for Patients With Long-term Follow-up: A Step Toward Understanding Dose Risk for Late Toxicity

Purpose: Understanding the relationship between normal tissue dose and delayed radiation toxicity is an important component of developing more effective radiation therapy. Late outcome data are generally available only for patients who have undergone 2-dimensional (2D) treatment plans. The purpose of this study was to evaluate the accuracy of 3D normal tissue dosimetry derived from reconstructed 2D treatment plans in Hodgkin's lymphoma (HL) patients. Methods and Materials: Three-dimensional lung, heart, and breast volumes were reconstructed from 2D planning radiographs for HL patients who received mediastinal radiation therapy. For each organ, a reference 3D organ was modified with patient-specific structural information, using deformable image processing software. Radiation therapy plans were reconstructed by applying treatment parameters obtained from patient records to the reconstructed 3D volumes. For each reconstructed organ mean dose (D{sub mean}) and volumes covered by at least 5 Gy (V{sub 5}) and 20Gy (V{sub 20}) were calculated. This process was performed for 15 patients who had both 2D and 3D planning data available to compare the reconstructed normal tissue doses with those derived from the primary CT planning data and also for 10 historically treated patients with only 2D imaging available. Results: For patients with 3D planning data, the normal tissue doses could be reconstructed accurately using 2D planning data. Median differences in D{sub mean} between reconstructed and actual plans were 0.18 Gy (lungs), -0.15 Gy (heart), and 0.30 Gy (breasts). Median difference in V{sub 5} and V{sub 20} were less than 2% for each organ. Reconstructed 3D dosimetry was substantially higher in historical mantle-field treatments than contemporary involved-field mediastinal treatments: average D{sub mean} values were 15.2 Gy vs 10.6 Gy (lungs), 27.0 Gy vs 14.3 Gy (heart), and 8.0 Gy vs 3.2 Gy (breasts). Conclusions: Three-dimensional reconstruction of absorbed dose to organs at risk can be estimated accurately many years after exposure by using limited 2D data. Compared to contemporary involved-field treatments, normal tissue doses were significantly higher in historical mantle-field treatments. These methods build capacity to quantify the relationship between 3D normal tissue dose and observed late effects.

62 RADIOLOGY AND NUCLEAR MEDICINE↗
DOE OSTI2021

Performance of hybridized bamboo-carbon fiber reinforced polypropylene composites processed using wet laid technique

The end-of-life vehicles (ELV) regulations motivate hybrid materials usage in automotive industries to optimize properties at reduced cost and increase eco-friendly designs. This research explores hybrid compositions of natural bamboo fiber and synthetic carbon fiber. The goal of hybridization was to synergistically benefit from each constituent– i.e., sustainability, energy absorption and superior damping from bamboo, and high strength and stiffness from carbon fiber. Carbon fibers (CF), bamboo fibers (BF) and polypropylene (PP) fibers were dispersed in water to produce wet-laid hybrid mats. The mats were compression molded into consolidated panels to obtain the hybrid composite(s) (BF-CF-PP). Four formulations with different fiber-resin weight percent were designed and produced including- BF-PP (30/70), BF-PP (50/50), BF-CF-PP (32/8/60), and BF-CF-PP (8/32/60). The effect of (a) fiber length, (b) surface treatment, (c) fiber content, and (d) consolidation pressure on the mechanical properties were examined. The improved mechanical (flexural strength 76.4 MPa, flexural modulus 4.1 GPa, ILSS 12.4 MPa and impact strength 49.9 KJ/m 2 ) and vibrational damping (1.05%) properties showed that the BF-CF-PP (8/32/60) provided higher properties compared to the other variants. The projected properties at various stoichiometric ratios of carbon and bamboo fiber revealed that the properties of hybrid composites could be tailored to produce desirable, cost-effective, and sustainable automotive components.

36 MATERIALS SCIENCE↗
DOE OSTI2018

Effect of packaging and cooling plates on mechanical response and failure characteristics of automotive Li-ion battery modules

When a battery pack is subjected to external mechanical load, i.e. as in the case of crash, the individual cells experience significant deformations leading to the internal short circuit and possibly fire. The current investigation looks into effects of the inactive components (i.e. cooling plates and module protective enclosure) on deformation and failure of individual pouch cells. Experiments on large spherical indentation of electric vehicle battery module with and without such components have been performed. The results show that the presence of cooling plates overall reduces the force under out-of-plane indentation by approximately a factor of 1.5. It was established however that the failure in cells occurs at the same displacement of the indenter, regardless of the presence of the inactive elements in battery module structure. This underlines the necessity for formulation of the failure criterion based on critical strain, rather than critical stress measure. The findings suggest possibility of utilizing such battery modules in impact energy absorption scenarios, due to reduction in force by the cooling components. X-Ray computed tomography (XCT) has been performed on the cells as a non-destructive analysis of internal failure and the differences of failure mode induced by introduction of structural components are discussed.

25 ENERGY STORAGE↗
DOE OSTI2020

Polysulfide reduction and Li 2 S phase formation in the presence of lithium metal and solid electrolyte interphase layer

Lithium sulfur battery is an attractive next generation technology that can meet many demands of modern society. Unfortunately, the lithium sulfur battery faces unique issues related to the polysulfide shuttle effect, that is due to reduction products dissolving in the electrolyte and their subsequent reduction on the lithium metal electrode. This adds further problems to the already challenging needs of understanding and engineering a solid electrolyte interphase (SEI) layer with desired properties. One of the most important SEI properties is its passivation of lithium metal which is critically important to the overall battery performance. Passivation is difficult to measure experimentally without the influence of many factors. This study reports an investigation of the reduction of the intermediate Li 2 S 8 over lithium already passivated with Li 2 O, Li 2 CO 3 , LiOH, LiF and Li 2 S along with exploration of Li 2 S 8 reduction over pristine lithium nanoclusters using first principles computational models. Significant formation of Li 2 S phase nucleation is found to stabilize the reduction products of the Li 2 S 8 . Here, the formation of Li 2 S is explored in-depth with lithium nanocluster-based models determining a 2 V potential increase for the reduction of polysulfides due to the formation of Li 2 S. This investigation demonstrates passivation effects of important SEI components including Li 2 S.

25 ENERGY STORAGE↗
DOE OSTI2013

Co-Al mixed metal oxides/carbon nanotubes nanocomposite prepared via a precursor route and enhanced catalytic property

The present work reported the synthesis of Co-Al mixed metal oxides/carbon nanotubes (CoAl-MMO/CNT) nanocomposite from Co-Al layered double hydroxide/CNTs composite precursor (CoAl-LDH/CNT). The materials were characterized by powder X-ray diffraction (XRD), transmission electron microscopy (TEM), low temperature nitrogen adsorption-desorption experiments, thermogravimetric and differential thermal analyses (TG-DTA), Raman spectra and X-ray photoelectron spectroscopy (XPS). The results revealed that in CoAl-MMO/CNT nanocomposite, the nanoparticles of cobalt oxide (CoO) and Co-containing spinel-type complex metal oxides could be well-dispersed on the surface of CNTs, thus forming the heterostructure of CoAl-MMO and CNTs. Furthermore, as-synthesized CoAl-MMO/CNT nanocomposite was utilized as additives for catalytic thermal decomposition of ammonium perchlorate (AP). Compared to those for pure AP and CoAl-MMO, the peak temperature of AP decomposition for CoAl-MMO/CNT was significantly decreased, which is attributed to the novel heterostructure and synergistic effect of multi-component metal oxides of nanocomposite. - Graphical abstract: Hybrid Co-Al mixed metal oxides/carbon nanotubes nanocomposite showed the enhanced catalytic activity in the thermal decomposition of ammonium perchlorate, as compared to carbon nanotubes and pure Co-Al mixed metal oxides. Highlights: Black-Right-Pointing-Pointer Co-Al mixed metal oxides/carbon nanotubes nanocomposite was synthesized. Black-Right-Pointing-Pointer Co-Al mixed metal oxides consisted of cobalt oxide and Co-containing spinels. Black-Right-Pointing-Pointer Nanocomposite exhibited excellent catalytic activity for the decomposition of AP. Black-Right-Pointing-Pointer The superior catalytic property is related to novel heterostructure and composition.

36 MATERIALS SCIENCE↗
DOE OSTI2013

Curcumin analog 1, 5-bis (2-trifluoromethylphenyl)-1, 4-pentadien-3-one exhibits enhanced ability on Nrf2 activation and protection against acrolein-induced ARPE-19 cell toxicity

Curcumin, a phytochemical agent in the spice turmeric, has received increasing attention for its anticancer, anti-inflammatory and antioxidant properties. However, application of curcumin has been limited due to its insolubility in water and poor bioavailability both clinically and experimentally. In addition, the protective effects and mechanisms of curcumin in eye diseases have been poorly studied. In the present study, we synthesized a curcumin analog, 1, 5-bis (2-trifluoromethylphenyl)-1, 4-pentadien-3-one (C3), which displayed improved protective effect against acrolein-induced toxicity in a human retinal pigment epithelial cell line (ARPE-19). At 5 μM, curcumin completely protected against acrolein-induced cell oxidative damage and preserved GSH levels and mitochondrial function. Surprisingly, C3 displayed a complete protective effect at 0.5 μM, which was much more efficient than curcumin. Both 0.5 μM C3 and 5 μM curcumin induced Nrf2 nuclear translocation and Nrf2 target genes transcription similarly. Experiments using Nrf2 siRNA showed that the protective effects of curcumin and C3 were eliminated by Nrf2 knockdown. Additionally, both curcumin and C3 activated the PI3/Akt pathway, however, Nrf2 activation was independent of this pathway, and therefore, we hypothesized that both curcumin and C3 activated phase II enzymes via directly disrupting the Nrf2/Keap1 complex and promoting Nrf2's nuclear translocation. Since acrolein challenge of ARPE-19 cells has been used as a model of smoking and age-related macular degeneration (AMD), we concluded that the curcumin analog, C3, may be a more promising drug candidate for its potential application for the prevention and treatment of eye diseases, such as AMD. - Highlights: • We examine toxicity effects of cigarette smoking component acrolein in retina cells. • We report a more efficient curcumin analog (C3) protecting cellular function. • Mitochondrial function and phase II enzyme activation are the major targets of C3. • C3 is ten-fold more potent than curcumin on activating Nrf2 nuclear translocation. • Nrf2 translocation and Phase II enzyme induction are independent of PI3K/Akt pathway.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2017

Enhancing Indacenodithiophene Acceptor Crystallinity via Substituent Manipulation Increases Organic Solar Cell Efficiency

The post-fullerene indacenodithiophene acceptor ITIC is a highly effective n-type component of high-performance bulk-heterojunction (BHJ) polymer solar cells (PSCs) for reasons that are not well-understood. Here, the impact of the ITIC alkyl substituent architecture on PSC active layer film morphology, charge transport, and photovoltaic (PV) performance is investigated with the donor polymers PBDB-T and PBDB-TF. On progressing from n-propyl to n-hexyl to n-nonyl ITIC substituents, PSC power conversion efficiency (PCE) increases from <0.1 % to 9.31% to 10.24%, respectively. BHJ blend morphology, carrier recombination dynamics, and PV performance with both donor polymers as probed by AFM, XRD, GIWAXS, and light intensity dependence correlate with marked differences in ITIC acceptor crystallinity. The DSC cold crystallization temperatures of the nhexyl and n-nonyl-functionalized acceptors are found to closely track the annealing temperatures for optimum PSC performance. These results identify a promising strategy for optimizing the performance of post-fullerene acceptor PSCs.

14 SOLAR ENERGY↗
DOE OSTI2022

Dynamical Change of Valence States and Structure in NiCu 3 Nanoparticles during Redox Cycling

Alloyed materials are promising candidates to improve catalytic processes. Ni–Cu nanoparticles are used for various reactions, including processes with biomass-derived components. However, dynamical restructuring effects alter the catalytic properties and can deactivate the sample. To understand these structural modifications, a multimodal investigation of NiCu 3 /C was performed to determine compositional and morphological changes during a redox cycle to simulate reduction and oxidation of the catalyst during reaction. We exploit a novel correlative, multimodal approach that combines in situ X-ray absorption spectroscopy (XAS) and in situ scanning transmission electron microscopy and electron energy-loss spectroscopy (STEM-EELS) to describe changes that occur in the sample in realistic conditions. In the fresh sample, there are two morphologies present: core–shell and hollow. Segregation of Cu was observed in both types of particles after synthesis, with Cu being more oxidized in the hollow structures. Upon reduction for 2 h under H 2 at 400 °C, the Cu was reduced, although segregation of Cu and Ni was still observed. Subsequent exposure to O 2 at 400 °C led to a strong reoxidation of Cu with the formation of hollow particles with compositional heterogeneities. The oxidation of metals and segregation phenomena can be related to known catalytic properties of NiCu 3 /C particles, especially regarding the hydrodeoxygenation of 5-hydroxymethylfurfural to 2,5-dimethylfuran.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2020

Perovskite-Carbon Nanotube Light-Emitting Fibers

Active fibers with electro-optic functionalities are promising building blocks for the emerging and rapidly growing field of fiber and textile electronics. Yet, there remains significant challenges that require improved understanding of the principles of active fiber assembly to enable the development of fiber-shaped devices characterized by having a small diameter, being lightweight, and having high mechanical strength. To this end, the current frameworks are insufficient, and new designs and fabrication approaches are essential to accommodate this unconventional form factor. Here, we present a first demonstration of a pathway that effectively integrates the foundational components meeting such requirements, with the use of a flexible and robust conductive core carbon nanotube fiber and an organic–inorganic emissive composite layer as the two critical elements. We introduce an active fiber design that can be realized through an all solution-processed approach. In conclusion, we have implemented this technique to demonstrate a three- layered light-emitting fiber with a coaxially coated design.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Drivers of Dry Day Sensitivity to Increased CO 2

Persistent precipitation deficits are among the most impactful consequences of global warming. Here we focus on changes in the annual number of dry days (NDD) and in the annual maximum length of dry spells due to a quadrupling of atmospheric CO 2 . We use atmosphere-only simulations to decompose the projected changes into additive contributions. A fast adjustment leads to a global increase in NDD despite notable regional exceptions (e.g., South Asia and Sahel). The effect of the uniform component of the surface ocean warming is model-dependent but shapes the regional distribution of the NDD response in each model. Finally, the ocean warming pattern also contributes to large uncertainties, likely through contrasting changes in large-scale circulation. Our results thus highlight the complexity of the NDD response, with policy-relevant practical implications for mitigation and adaptation strategies.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2013

Casimir Forces On A Silicon Micromechanical Chip

Quantum fluctuations give rise to van der Waals and Casimir forces that dominate the interaction between electrically neutral objects at sub-micron separations. Under the trend of miniaturization, such quantum electrodynamical effects are expected to play an important role in micro- and nano-mechanical devices. Nevertheless, so far the Casimir force has been experimentally observed only in situations involving an external object manually positioned close to a micromechanical element on a silicon chip. Here, we demonstrate the Casimir effect between two silicon components on the same substrate. In addition to providing an integrated and compact platform for Casimir force measurements, this scheme also opens the possibility of tailoring the Casimir force using lithographically defined components of non-conventional shapes on a single micromechanical chip.

Zou, J.↗
DOE OSTI2014

Monte Carlo simulation of the data acquisition chain of scintillation detectors

The good performance of a detector can be strongly affected by the instrumentation used to acquire the data. The possibility of anticipating how the acquisition chain will affect the signal can help in finding the best solution among different set-ups. In this work we developed a Monte Carlo code that aims to simulate the effect of the various components of a digital Data Acquisition system (DAQ) applied to scintillation detectors. The components included in the model are: the scintillator, the photomultiplier tube (PMT), the signal cable and the digitizer. We benchmarked the code against real data acquired with a NE213 scintillator, comparing simulated and real signal pulses induced by gamma-ray interaction. Then we studied the dependence of the energy resolution of a pulse height spectrum (PHS) on the sampling frequency and the bit resolution of the digitizer. We found that exceeding some values of the sampling frequency and the bit resolution improves only marginally the performance of the system. The method can be applied for the study of various detector systems relevant for nuclear techniques, such as in fusion diagnostics.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2015

Erratum: “Effect of hydrothermal condition on the formation of multi-component oxides of Ni-based metallic glass under high temperature water near the critical point” [AIP Advances 5, 077132 (2015)]

In the original manuscript, M. H. Lee’s affiliation number was incorrectly listed as 1. M. H. Lee’s correct affiliation number is 2 (Rare Metals R&D Group, Korea Institute of Industrial Technology, Incheon 406-840, South Korea). Furthermore, this change affects no other part of the paper.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Anion photoelectron spectroscopy and chemical bonding of ThS 2 – and ThSO –

Anion photoelectron spectra of ThSO – and ThS 2 – were recorded using the third (355 nm) harmonic of an Nd-YAG laser; these provided the measured vertical detachment energies of each anion. The experiments are supported by extensive coupled cluster calculations on ThSO, ThSO – , ThS 2 , and ThS 2 – , as well as the oxygen congeners ThO 2 and ThO 2 – . The ab initio calculations, which included complete basis set extrapolations, spin–orbit effects using four-component coupled cluster, and higher-order correlation contributions through CCSDT(Q), yielded an adiabatic electron affinity for ThO 2 – that was within 0.02 eV of the previously determined experimental value. The singly occupied molecular orbital (SOMO) in all three anions corresponds primarily to the 7s orbital on Th. Successive substitution of S for each O in ThO 2 leads to larger electron affinities and smaller bond angles in the neutral molecules, but larger angles in the anions. As demonstrated by Franck–Condon simulations of the spectra using the CCSD(T) spectroscopic constants, substitution of O by S significantly complicates the resulting detachment spectra due to the lower vibrational frequencies in the sulfur species. Altogether the calculated vertical detachment energies are in very good agreement with the experiment. In addition to the adiabatic electron affinities of each species, atomization energies and heats of formation have also been determined via the FPD approach with expected uncertainties of 1–2 kcal/mol.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2013

ALMA OBSERVATIONS OF THE HH 46/47 MOLECULAR OUTFLOW

The morphology, kinematics, and entrainment mechanism of the HH 46/47 molecular outflow were studied using new ALMA Cycle 0 observations. Results show that the blue and red lobes are strikingly different. We argue that these differences are partly due to contrasting ambient densities that result in different wind components having a distinct effect on the entrained gas in each lobe. A 29 point mosaic, covering the two lobes at an angular resolution of about 3'', detected outflow emission at much higher velocities than previous observations, resulting in significantly higher estimates of the outflow momentum and kinetic energy than previous studies of this source, using the CO(1-0) line. The morphology and the kinematics of the gas in the blue lobe are consistent with models of outflow entrainment by a wide-angle wind, and a simple model describes the observed structures in the position-velocity diagram and the velocity-integrated intensity maps. The red lobe exhibits a more complex structure, and there is evidence that this lobe is entrained by a wide-angle wind and a collimated episodic wind. Three major clumps along the outflow axis show velocity distribution consistent with prompt entrainment by different bow shocks formed by periodic mass ejection episodes which take place every few hundred years. Position-velocity cuts perpendicular to the outflow cavity show gradients where the velocity increases toward the outflow axis, inconsistent with outflow rotation. Additionally, we find evidence for the existence of a small outflow driven by a binary companion.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2014

New constraints on cosmic polarization rotation from B-mode polarization in the cosmic microwave background

SPTpol, POLARBEAR, and BICEP2 have recently measured the cosmic microwave background (CMB) B-mode polarization in various sky regions of several tens of square degrees and obtained BB power spectra in the multipole range 20-3000, detecting the components due to gravitational lensing and to inflationary gravitational waves. We analyze jointly the results of these three experiments and propose modifications to their analyses of the spectra to include in the model, in addition to the gravitational lensing and the inflationary gravitational wave components, and also the effects induced by the cosmic polarization rotation (CPR), if it exists within current upper limits. Although in principle our analysis would also lead to new constraints on CPR, in practice these can only be given on its fluctuations (δα{sup 2}), since constraints on its mean angle are inhibited by the derotation which is applied by current CMB polarization experiments, in order to cope with the insufficient calibration of the polarization angle. The combined data fits from all three experiments (with 29% CPR-SPTpol correlation, depending on the theoretical model) gives the constraint (δα{sup 2}){sup 1/2} < 27.3 mrad (1.°56), with r = 0.194 ± 0.033. These results show that the present data are consistent with no CPR detection and the constraint on CPR fluctuation is about 1.°5. This method of constraining the CPR is new, is complementary to previous tests, which use the radio and optical/UV polarization of radio galaxies and the CMB E-mode polarization, and adds a new constraint for the sky areas observed by SPTpol, POLARBEAR, and BICEP2.

79 ASTRONOMY AND ASTROPHYSICS↗