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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 865 records · Page 48
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Enhanced detection of volatile organic compounds (VOCs) by caffeine modified carbon nanotube junctions

Detection of vapor phase analytes and gas molecules is primarily essential for numerous applications including medical diagnostic, environmental monitoring, chemical threat detection, food quality control, and chemical warfare agents. Here, we developed Caffeine functionalized carbon nanotubes (CNTs) random network based vapor quantum resistive sensors (vQRSs) for volatile organic compounds (VOCs) detection. The localized transmission electron microscopy (TEM) image and energy dispersive X-ray spectroscopy (EDS) confirm migration of caffeine to CNT–CNT junction (CNTj). We have recorded more than one order of magnitude higher sensitivity and unique selectivity towards selective VOCs (e.g., acetone, toluene, ethanol, methanol, etc.) with short response time (few seconds) for caffeine modified CNT junction (Caf-CNTj) vQRSs. Molecular dynamics (MD) calculations suggest that the sensitivity of the sensor is diffusion limited, with an advective contribution for ethanol. Furthermore, the designed Caf-CNTj sensors can potentially be important candidate to be a part of electronic nose used for various application such as breath analysis and food quality monitoring.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Vacancy-Dependent Diffusion Mechanism in Oxygen-Defective SrFeO 3 Perovskite Materials: First-Principles Density Functional Theory and Experimental Approach

Understanding oxygen diffusion at the atomic scale in SrFeO 3−δ perovskites is crucial for developing oxygen storage materials with optimal performance. Such materials are required to have high stability, corrosion resistance, and acceptable oxygen storage capacity at moderate operating temperatures and pressures. Here, in this study, we used first-principles density functional theory and thermogravimetric analysis to study the vacancy-dependent oxygen diffusion in oxygen-deficient SrFeO 3−δ (δ = 0, 0.065, 0.125, 0.25, 0.5) perovskites. The electronic structures, including the partial- and spin-resolved density of states, for different SrFeO 3−δ phases were calculated and compared with available experimental and theoretical results. By mapping the migration pathways, we investigated diffusion mechanisms and calculated the energy barriers for oxygen diffusion in cubic, orthorhombic, and brownmillerite phases of SrFeO 3−δ perovskites. Using the calculated energy barriers, we deduced the diffusion time scales and diffusion coefficients within SrFeO 3−δ . A diffusion coefficient on the order of 10 –8 m 2 /s was obtained for SrFeO 2.875 . We experimentally investigated the roles of temperature and oxygen partial pressures on the redox kinetics and deduced the kinetics rate and diffusion density, which agreed well with the calculated values for the density of diffusing oxygen vacancy in the lattice. Our results showed that the energy barrier tends to reduce at higher oxygen concentrations. Our results serve as an important guideline for designing oxygen storage materials with optimal redox kinetics.

chemical looping with oxygen uncoupling (CLOU)↗
DOE OSTI2026

Size-dependent femtosecond proton transfer in protonated methanol clusters

Methanol clusters (CH 3 OH) n are prototypical hydrogen-bonded systems that bridge isolated molecules and bulk liquid methanol. Strong-field ionization of these clusters can trigger ultrafast charge migration, proton transfer, and isomerization; however, the onset timescales of these pathways remain largely unexplored despite extensive steady-state mass-spectrometric evidence for protonation and chemical rearrangement. Here we use femtosecond time-resolved strong-field ionization and disruptive probing to directly track the early-time dynamics of methanol clusters. Transient mass spectra yield size-dependent timescales for the formation of protonated clusters H + (CH 3 OH) n (n = 1–3) and an associated CHO˙ + radical cation. We find that both proton-transfer and subsequent stabilization become markedly faster with increasing cluster size. These measurements establish methanol clusters as a complementary benchmark to water for understanding ionization-initiated proton motion and chemical reorganization in hydrogen-bonded liquids.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2014

Peculiar Euphrosyne

The asteroid (31) Euphrosyne is the largest body of its namesake family, and it contains more than 99% of the family mass. Among large asteroid families, the Euphrosyne group is peculiar because of its quite steep size-frequency distribution (SFD), significantly depleted in large- and medium-sized asteroids (8 < D < 12 km). The current steep SFD of the Euphrosyne family has been suggested to be the result of a grazing impact in which only the farthest, smallest members failed to accrete. The Euphrosyne family is, however, also very peculiar because of its dynamics: near its center it is crossed by the ν{sub 6} = g – g {sub 6} linear secular resonance, and it hosts the largest population (140 bodies) of asteroids in ν{sub 6} antialigned librating states (or Tina-like asteroids) in the main belt. In this work we investigated the orbital evolution of newly obtained members of the dynamical family, with an emphasis on its interaction with the ν{sub 6} resonance. Because of its unique resonant configuration, large- and medium-sized asteroids tend to migrate away from the family orbital region faster than small-sized objects, which were ejected farther away from the family center. As a consequence, the SFD of the Euphrosyne family becomes steeper in time with a growing depletion in the number of the largest family members. We estimate that the current SFD could be attained from a typical, initial SFD on timescales of 500 Myr, consistent with estimates of the family age obtained with other independent methods.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2018

Highly mobile charge-transfer excitons in two-dimensional WS 2 /tetracene heterostructures

Charge-transfer (CT) excitons at heterointerfaces play a critical role in light to electricity conversion using organic and nanostructured materials. However, how CT excitons migrate at these interfaces is poorly understood. We investigate the formation and transport of CT excitons in two-dimensional WS 2 /tetracene van der Waals heterostructures. Electron and hole transfer occurs on the time scale of a few picoseconds, and emission of interlayer CT excitons with a binding energy of ~0.3 eV has been observed. Transport of the CT excitons is directly measured by transient absorption microscopy, revealing coexistence of delocalized and localized states. Trapping-detrapping dynamics between the delocalized and localized states leads to stretched-exponential photoluminescence decay with an average lifetime of ~2 ns. The delocalized CT excitons are remarkably mobile with a diffusion constant of ~1 cm 2 s -1 . These highly mobile CT excitons could have important implications in achieving efficient charge separation.

36 MATERIALS SCIENCE↗
DOE OSTI2018

Surface Modification of Silver Iodide Films by Electron Irradiation

It has been found experimentally that electron irradiation of polycrystalline AgI films leads to the formation of a nanocrystalline silver particle monolayer. With an increase in the irradiation time, the nanoparticle size grows but the concentration of the particles first increases and then drops. Formation mechanisms of the nanoparticles and the dynamics of their growth have been considered. Ostwald’s ripening, fieldinduced migration, and nanoparticle charge variation during irradiation by low-energy electrons have been shown to be the main processes responsible for the above effects.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
NASA NTRS1986

Migration of the separation point on a deforming cylinder

An iterative scheme of solving the Navier-Stokes equations for unsteady two-dimensional flow about a deforming and translating cylinder is given. In the kth iteration, the convected vorticity appears as the source term in an equation of transient diffusion of vorticity. A novel integral transform is used to reduce this transient vorticity equation to a k-dimensional heat equation. The bounded solution of this equation is obtained with a general method of superposition for problems involving a moving boundary. An equation describing the migration of the separation point on a deforming cylinder in unsteady cross flows is derived from the analytically obtained velocity field. The radial expansion of the cylinder surface is shown to hasten the separation time and to increase the separation angle. The results imply that in the steady flow past a body that is moving forward and sinking at constant rates, the locus of points at which the azimuthal component of skin friction changes sign originates on the leeward ray at a point downstream of the front tip.

Lin, S. P.↗
NASA NTRS1995

Study of Luminescence Characteristics of Trivalent Terbium in Silicate Glass

An important use of silicate glasses doped with terbium oxide (Tb2O3) is their use as fiber optic sensors for high-resolution imaging applications requiring the detection of x-rays (e.g. tomography and radiography). The x-ray radiation is absorbed by the glass, producing electron-hole pairs (excitons). The excitons migrate through the glass matrix and then recombine, emitting characteristic Tb(3+) luminescence in the optical wavelength region. This emission is due to forbidden transitions of 4f electrons and therefore has a long decay time. Long decay time is undesirable when imaging transient events since it results in blurring in time of the images. It has been reported elsewhere that in crystals Tb(3+) ions can act both as luminescence centers and as fluorescence traps. These traps can capture excitons and delay their recombination. This delayed fluorescence is seen as a long lived, secondary component to the luminescence decay curve, or afterglow. Such a secondary decay component to the luminescence decay of Tb(3+) has been observed before in soda glass following pulsed optical excitation. In order to determine the conditions under which afterglow occurs, an understanding of the material's luminescent properties is required.

West, Mike S.↗
NASA NTRS2024

Alaska Ecological Conservation: Using NASA Earth Observations to Identify Recent Changes in River Ice Phenology and Its Impacts on Caribou Migration

Each fall, caribou (Rangifer tarandus) in the Western Arctic Herd migrate hundreds of kilometers across northwestern Alaska to acquire seasonal resources and reach wintering grounds. Various rivers intersect migration paths, and caribou can only cross over open water or high-ice extents but are unable to cross rivers in stages of partial freezing. Recent temperature increases in Alaska can alter the timing and duration of ice formation periods, impeding migratory patterns. The Massachusetts NASA DEVELOP team partnered with the National Park Service in Alaska to detect river ice onset dates and formation periods using Landsat 8 Operational Land Imager and Landsat 9 Operational Land Imager-2, Sentinel-1 C-band Synthetic Aperture Radar and Sentinel-2A/B MultiSpectral Instrument imagery in Google Earth Engine. This feasibility analysis measured ice coverage using the Normalized Difference Infrared Index, Relative Difference River Ice, and Vertical-Vertical/Vertical-Horizontal backscatter values based on the spectral and surface characteristics of rivers. The team produced annual freezing timelines, time series plots, and maps at three river stretches to analyze river ice phenology changes. Radar imagery assessed ice coverage more accurately, while optical imagery better identified ice onset dates. Meanwhile indices were unable to robustly establish ice formation thresholds across the study period. These study results can help the National Park Service to better evaluate spatiotemporal migratory shifts and contextualize recent regional caribou declines.

river phenology↗
NASA NTRS1989

Vortex motion phase separator for zero gravity liquid transfer

A vortex motion phase separator is disclosed for transferring a liquid in a zero gravity environment while at the same time separating the liquid from vapors found within either the sender or the receiving tanks. The separator comprises a rigid sender tank having a circular cross-section and rigid receiver tank having a circular cross-section. A plurality of ducts connects the sender tank and the receiver tank. Disposed within the ducts connecting the receiver tank and the sender tank is a pump and a plurality of valves. The pump is powered by an electric motor and is adapted to draw either the liquid or a mixture of the liquid and the vapor from the sender tank. Initially, the mixture drawn from the sender tank is directed through a portion of the ductwork and back into the sender tank at a tangent to the inside surface of the sender tank, thereby creating a swirling vortex of the mixture within the sender tank. As the pumping action increases, the speed of the swirling action within the sender tank increases creating an increase in the centrifugal force operating on the mixture. The effect of the centrifugal force is to cause the heavier liquid to migrate to the inside surface of the sender tank and to separate from the vapor. When this separation reaches a predetermined degree, control means is activated to direct the liquid conveyed by the pump directly into the receiver tank. At the same time, the vapor within the receiver tank is directed from the receiver tank back into the sender tank. This flow continues until substantially all of the liquid is transferred from the sender tank to the receiver tank.

Howard, Frank S.↗
DOE OSTI2013

Repression of miR-17-5p with elevated expression of E2F-1 and c-MYC in non-metastatic hepatocellular carcinoma and enhancement of cell growth upon reversing this expression pattern

Highlights: •The oncogenic miR-17-5p is downregulated in non-metastatic hepatocellular carcinoma patients. •E2F-1 and c-MYC transcripts are upregulated in non-metastatic HCC patients. •miR-17-5p forced overexpression inhibited E2F-1 and c-MYC expression in HuH-7 cells. •miR-17-5p mimicking increased HuH-7 cell growth, proliferation, migration and colony formation. •miR-17-5p is responsible for HCC progression among the c-MYC/E2F-1/miR-17-5p triad members. -- Abstract: E2F-1, c-MYC, and miR-17-5p is a triad of two regulatory loops: a negative and a positive loop, where c-MYC induces the expression of E2F-1 that induces the expression of miR-17-5p which in turn reverses the expression of E2F-1 to close the loop. In this study, we investigated this triad for the first time in hepatocellular carcinoma (HCC), where miR-17-5p showed a significant down-regulation in 23 non-metastatic HCC biopsies compared to 10 healthy tissues; however, E2F-1 and c-MYC transcripts were markedly elevated. Forced over-expression of miR-17-5p in HuH-7 cells resulted in enhanced cell proliferation, growth, migration and clonogenicity with concomitant inhibition of E2F-1 and c-MYC transcripts expressions, while antagomirs of miR-17-5p reversed these events. In conclusion, this study revealed a unique pattern of expression for miR-17-5p in non-metastatic HCC patients in contrast to metastatic HCC patients. In addition we show that miR-17-5p is the key player among the triad that tumor growth and spread.

60 APPLIED LIFE SCIENCES↗
NASA NTRSDate not supplied

Target Tracking with Distributed Sensing and Optimal Data Migration

The paper presents an Extended Kalman Filter based framework for airborne target tracking using adaptive information fusion from multi-modal multi-rate distributed sensors network. First, the tracking algorithm execution location is determined using an optimal data migration strategy, which also computes the associated delays for each sensor data to arrive at the computing location. Next, the fast (zero-delay) sensors information is dynamically fused in the filter correction procedure at the arrival instance of each valid sensor reading. Finally, the target estimation is updated based on the valid slow (delayed) data, which are grouped according to the delay-time steps before application of the Larsen's method. This approach is applied to the synthetic sensor data generated by means of the ground based radar and camera models for the simulated target flight in Reflection simulation environment.

Distributed sensing↗
DOE OSTI2022

Electrostatic Asymmetry of Wurtzite Nanocrystals and Resulting Photocatalytic Properties

Efficient light absorption and high energy of charge carriers of zinc cadmium sulfide (ZCS) make this semiconductor attractive for many photocatalytic reactions. Despite marked successes in shape-controlled synthesis of ZCS central to their photocatalytic performance, recombination of charge carriers as they migrate through the nanoscale particles results in losses of excitation energy, markedly reducing the photocatalytic activity of ZCS and other heterogeneous photocatalysts. Here, in this study, we show that the electrostatic asymmetry of nanostructures, previously discovered for nearly spherical nanoparticles, also manifests in wurtzite ZCS with planar geometry. The electrostatic asymmetry assists charge separation and substantially increases the yield of photocatalytic reactions in monocrystalline ZCS. The synthesized ZCS nanorods and nanoplates with identical chemical composition were found to have markedly different photocatalytic activity for evolution of hydrogen in water. Despite much smaller specific surface areas, the ~500 nm wide nanoplates displayed a hydrogen evolution rate 12 times higher than the ~35 nm long nanorods, also outperforming other ZCS photocatalysts. Experimental and computational data indicate that the homo- and heterojunction-free ZCS nanoplates with continuous wurtzite lattice behave essentially as nanoscale dipoles with intrinsic dipole moment as high as 48.39 D per unit cell. Electric-field-directed migration of charge carriers stimulates their localization on opposite parts of the nanoplates. Direct imaging of the intraparticle electrical field using off-axis electron holography confirmed their electrostatic asymmetry. Polarization-enhanced charge separation provides a new pathway to efficient and stable photocatalysts for sustainable energy technologies.

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

LRP4 promotes proliferation, migration, and invasion in papillary thyroid cancer

Dysregulation of cell proliferation and death is considered the foundation of the malignant biological characteristics of cancer. In this study, we conducted a comprehensive analysis of a massively parallel whole transcriptome resequencing of paired papillary thyroid cancer and normal thyroid tissues from 19 patients. In addition, we found that LRP4, a member of the low-density lipoprotein receptor-related protein family, is significantly overexpressed in thyroid carcinoma. We demonstrated through quantitative real-time polymerase chain reaction (qRT-PCR) that LRP4 is upregulated in papillary thyroid cancer (PTC) tissues. This observation was also consistent with data analyzed from The Cancer Genome Atlas (TCGA) cohort. Thus, the biological role of LRP4 in the thyroid cancer in the present study was investigated using the PTC cell lines TPC1, BCPAP and KTC-1. In these cell lines, the mRNA level of LRP4 was higher than normal thyroid cancer cell named HTORI3. In vitro experiments demonstrated that LRP4 downregulation significantly inhibited the colony formation, proliferation, migration, and invasion of the three PTC cell lines. Knockdown of LRP4 by small interfering RNA (siRNA) in those cell lines decreased the protein expression of N-cadherin, Enhancer of zeste homolog 2 (EZH2), and Zinc finger E-box-binding home-box 1 (ZEB1). Furthermore, LRP4 knockdown significantly reduced the levels of phosphorylated PI3K in the PTC cell lines. In conclusion, the present study indicated that LRP4 is a gene associated with PTC and might become a potential therapeutic target.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2022

Modeling mesoscale fission gas behavior in UO2 by directly coupling the phase field method to spatially resolved cluster dynamics

Abstract Fission gas release within uranium dioxide nuclear fuel occurs as gas atoms diffuse through grains and arrive at grain boundary (GB) bubbles; these GB bubbles grow and interconnect with grain edge bubbles; and grain edge tunnels grow and connect to free surfaces. In this study, a hybrid multi-scale/multi-physics simulation approach is presented to investigate these mechanisms of fission gas release at the mesoscale. In this approach, fission gas production, diffusion, clustering to form intragranular bubbles, and re-solution within grains are included using spatially resolved cluster dynamics in the Xolotl code. GB migration and intergranular bubble growth and coalescence are included using the phase field method in the MARMOT code. This hybrid model couples Xolotl to MARMOT using the MultiApp and Transfer systems in the MOOSE framework, with Xolotl passing the arrival rate of gas atoms at GBs and intergranular bubble surfaces to MARMOT and MARMOT passing evolved GBs and bubble surface positions to Xolotl. The coupled approach performs well on the two-dimensional simulations performed in this work, producing similar results to the standard phase field model when Xolotl does not include fission gas clustering or re-solution. The hybrid model performs well computationally, with a negligible cost of coupling Xolotl and MARMOT and good parallel scalability. The hybrid model predicts that intragranular fission gas clustering and bubble formation results in up to 70% of the fission gas being trapped within grains, causing the increase in the intergranular bubble fraction to slow by a factor of six. Re-solution has a small impact on the fission gas behavior at 1800 K but it has a much larger impact at 1000 K, resulting in a twenty-times increase in the concentration of single gas atoms within grains. Due to the low diffusion rate, this increase in mobile gas atoms only results in a small acceleration in the growth of the intergranular bubble fraction. Finally, the hybrid model accounts for migrating GBs sweeping up gas atoms. This results in faster intergranular bubble growth with smaller initial grain sizes, since the additional GB migration results in more immobile gas clusters reaching GBs.

Kim, Dong-Uk↗
DOE OSTI2021

Elucidating the Onset of Plasticity in Sliding Contacts Using Differential Computational Orientation Tomography

Abstract Depending on the mechanical and thermal energy introduced to a dry sliding interface, the near-surface regions of the mated bodies may undergo plastic deformation. In this work, we use large-scale molecular dynamics simulations to generate “differential computational orientation tomographs” (dCOT) and thus highlight changes to the microstructure near tribological FCC alloy surfaces, allowing us to detect subtle differences in lattice orientation and small distances in grain boundary migration. The analysis approach compares computationally generated orientation tomographs with their undeformed counterparts via a simple image analysis filter. We use our visualization method to discuss the acting microstructural mechanisms in a load- and time-resolved fashion, focusing on sliding conditions that lead to twinning, partial lattice rotation, and grain boundary-dominated processes. Extracting and laterally averaging the color saturation value of the generated tomographs allows us to produce quantitative time- and depth-resolved maps that give a good overview of the progress and severity of near-surface deformation. Corresponding maps of the lateral standard deviation in the color saturation show evidence of homogenization processes occurring in the tribologically loaded microstructure, frequently leading to the formation of a well-defined separation between deformed and undeformed regions. When integrated into a computational materials engineering framework, our approach could help optimize material design for tribological and other deformation problems. Graphic Abstract .

36 MATERIALS SCIENCE↗
DOE OSTI2018

Silencing of Kangai 1 C-terminal interacting tetraspanin suppresses progression of cholangiocarcinoma

Highlights: • KITENIN is expressed in murine and human cholangiocarcinoma (CC). • Knockdown of KITENIN reduced proliferation, migration, invasion and colony formation in CC cells. • Silencing of KITENIN inhibited the expression of epithelial-mesenchymal transition markers. • Targeting of KITENIN might function as a new therapeutic strategy against CC. Cholangiocarcinoma (CC) is the second most common primary hepatic malignancy. CC treatment options are very limited especially for patients with distant metastasis. Kangai 1 C-terminal interacting tetraspanin (KITENIN) is highly expressed in numerous cancers, but the role of KITENIN in CC remains unknown. Here, we have investigated for the first time the function of KITENIN in human CC cell lines (TFK-1, SZ-1), tissues and a CC mouse model (Alb-Cre/LSL-KRAS{sup G12D}/p53{sup L/L}). KITENIN was expressed in 92.2% of human CC tissues, in murine CC samples and also in human CC cell lines. Knockdown of KITENIN by small interfering RNA (siRNA) effectively reduced proliferation, migration, invasion and colony formation in both intra- and extra-hepatic CC cells. The expression of epithelial-mesenchymal transition (EMT) markers like N-cadherin, Vimentin, Snail and Slug were suppressed in KITENIN knockdown CC cells. Our results indicate that KITENIN is crucial for cholangiocarcinogenesis and it might become a potential therapeutic target for human CC treatment.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2022

Valorization of bamboo biomass using combinatorial pretreatments

Current studies concerning liquid hot water pretreatment (LHWP) usually focus on cellulose saccharification or hemicellulose conversion, while the appropriate extraction and utilization of LHWP-induced lignin have not been addressed. To valorize whole biomass, here, in this study, a series of LHWP-based combinatorial pretreatments are proposed using advanced solvent systems. The first LHWP stage removed 73.74% of xylan at the optimized pretreatment severity (~4.0), at the same time preserving almost all the cellulose and lignin. As a result, 9.04 g L –1 xylo-oligosaccharides (XOSs) were obtained in the prehydrolyzate, representing 63.31% of the degraded xylan. The LHWP also caused the migration and partial degradation of the lignin which benefits the delignification in the second stage of pretreatment utilizing NaOH, deep eutectic solvent (DES) and 1,4-butanediol (BDO) under relatively mild conditions. The proposed combinatorial pretreatment significantly enhanced glucan conversion. The physiochemical structural properties of the untreated and pretreated substrates were investigated with XRD, FTIR, GPC, SEM, and Simons’ staining to understand the mechanisms of different combinatorial pretreatments for overcoming biomass recalcitrance and facilitating integrated biomass valorization. Finally, the physical and chemical properties of the regenerated lignins were analyzed. The results revealed that lignins from LHWP–NaOH pretreatment preserved most of the native β-O-4 structure (37.1%). Thus it could be used as an ideal method for the catalytic production of aromatic monomers. On the other hand, LHWP–DES pretreatment generated lignins with low molecular weight and high phenolic OH content, which is promising for synthesizing resins and antioxidants. In conclusion, the proposed combinatorial pretreatment established a reliable sequential pretreatment methodology for maximizing the output of bamboo biomass and may fit into different biorefinery configurations for various value-added products.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗