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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 433 records · Page 24
All sourcesNASA NTRSDOE OSTI
DOE OSTI2019

A Universal Seeding Strategy to Synthesize Single Atom Catalysts on 2D Materials for Electrocatalytic Applications

Abstract Single‐atom catalysts (SACs) are attracting significant attention due to their exceptional catalytic performance and stability. However, the controllable, scalable, and efficient synthesis of SACs remains a significant challenge. Herein, a new and versatile seeding approach is reported to synthesize SACs supported on different 2D materials such as graphene, boron nitride (BN), and molybdenum disulfide (MoS 2 ). This method is demonstrated on the synthesis of Ni, Co, Fe, Cu, Ag, Pd single atoms as well as binary atoms of Ni and Cu codoped on 2D support materials with the mass loading of single atoms in the range of 2.8–7.9 wt%. In particular, the applicability of the new seeding strategy in electrocatalysis is demonstrate on nickel SACs supported on graphene oxide (SANi‐GO), exhibiting excellent catalytic performance for electrochemical CO 2 reduction reaction with a turnover frequency of 325.9 h −1 at a low overpotential of 0.63 V and high selectivity of 96.5% for CO production. The facile, controllable, and scalable nature of this approach in the synthesis of SACs is expected to open new research avenues for the practical applications of SACs.

Zhao, Shiyong↗
DOE OSTI2020

Ligand-Guided Growth of Alloyed Shells on Intermetallic Seeds as a Route toward Multimetallic Nanocatalysts with Shape-Control

In this work, shape-controlled core@shell PdCu@PtCu nanoparticles (NPs) were synthesized by seed-mediated co-reduction. Specifically, cubic-shaped NPs were achieved by selecting tetraoctylammonium bromide (TOAB) and triphenylphosphine (TPP) as capping ligands. Their roles were investigated by incorporating independently each ligand into the reaction and analyzing the products by transmission electron microscopy (TEM). This analysis revealed that the quasi-spherical PdCu seeds acquired cubic shapes during the synthesis and directed shell deposition. This process was mediated by TPP, which was central to achieving monodisperse NPs with shape-control. The synthesis conditions were modified to tune both the thickness and composition of the shells. Evaluation of the NPs as catalysts for the electrooxidation of formic acid found that the NPs with the thinnest Pt-rich shells gave the highest specific activity, with the nanocubic shape also enhancing performance with respect to the spherical counterpart. These results highlight the benefits of integrating compositional, architectural, and shape-control all in one NP construct.

36 MATERIALS SCIENCE↗
DOE OSTI2024

UEDGE modeling of plasma detachment of CFETR with ITER ‐like divertor geometry by external impurity seeding

Abstract Efficient handling of high heat flux on the plasma‐facing components, particularly the divertor targets, poses a significant challenge for the Chinese Fusion Engineering Testing Reactor (CFETR) with fusion power of Gigawatt. This work investigates the divertor plasma detachment of CFETR with a standard ITER‐like divertor geometry by neon (Ne) or argon (Ar) impurity seeding using UEDGE code. The cross‐field drifts terms are switched off, and fluid neutral models and a “fixed‐fraction” impurity model are applied to enable efficient simulations for the study of CFETR detachment. In order to reduce the heat load on the divertor targets below the acceptable level (<10 MW/m 2 ), the impurity fraction ( f ), pumping speed ( S ), and upstream density are varied to identify the suitable operations window during Ne seeding. The effects of Ne and Ar impurities on the plasma detachment are compared. It is found that with the power across the core‐edge interface P SOL = 200 MW and separatrix density of 2.8 10 19 , Ne impurity fraction ≥1.7%, and Ar impurity fraction ≥0.24% can achieve the partial detachment. Achieving similar total radiation power (˜148 MW), the Ne fraction is 2.3% and the Ar fraction is 0.24%. Moreover, the simulation results indicate that Ar exhibits better power radiation efficiency and core compatibility compared with Ne.

Zhang, M. Z.↗
DOE OSTI2020

Microwave‐assisted hydrodistillation of the essential oil from Algerian Pimpinella anisum seeds

Abstract Essential oils (EOs) from anise seeds ( Pimpinella anisum ) collected in the Algerian region were extracted by microwave‐assisted hydrodistillation (MAHD) and hydrodistillation (HD). The oil yield (%), chemical composition, energetic consumption and the antimicrobial properties were evaluated of the obtained EO. The yields obtained by both processes were 2.81 ± 0.01% for 90 minutes and 3.30 ± 0.05% for 330 minutes for MAHD and HD, respectively. The determination of the chemical composition of EOs by GC‐MS revealed the presence of a majority compound, trans ‐anethole 81.52% and 91.31% for MAHD and HD, respectively. The other main compounds present in the oils for MAHD and HD were, respectively: methyl chavicol (estragole) (0.63%‐1.39%), cis ‐anethole (0.23%‐0.34%), anisaldehyde (1.1%‐1.57%), anisyl methyl ketone (0.28%‐0.13%), trans ‐methyl isoellgenol (0.31%‐0.17%), γ ‐himachalene (0.5%‐0.36%), trans ‐pseudoisoeugenyl 2‐methylbutyrate (6.53%‐2.53%) and epoxy‐pseudoisoeugenyl 2‐methylbutyrate (2.01%‐0.56%). The EO obtained by MAHD detected other compounds, fenchone 0.41%, limonene 0.68%, cis ‐jasmolacatone extra C 0.41%, trans ‐isolongifolanone 0.2% and α ‐himachalene 0.16%. The energetic consumption by MAHD was significantly less than HD. Theoretical data from mathematical modelling were compared with practical data, and the coefficient of determination was between 0.93 and 0.97. The sensibility of bacterial strains to the essential oil obtained by MAHD is marked relatively to that obtained by HD, and for the sensibility of fungal strains, it was conserved. The MAHD process revealed a good yield of anise seeds EOs while reducing extraction time and energetic consumption. The EO extracted by this process revealed the presence of other compounds while improving antibacterial activity.

Boumahdi, Yamina↗
DOE OSTI2016

Impact of membrane-induced particle immobilization on seeded growth monitored by in situ liquid scanning transmission electron microscopy

In situ liquid cell scanning transmission electron microscopy probes seeded growth in real time. The growth of Pd on Au nanocubes is monitored as a model system to compare growth within a liquid cell and traditional colloidal synthesis. Furthermore, different growth patterns are observed due to seed immobilization and the highly reducing environment within the liquid cell.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2019

Preparation of Chitooligosaccharide by Hydrogen Peroxide Degradation of Chitosan and Its Effect on Soybean Seed Germination

Chitooligosaccharides (COS) were prepared by hydrogen peroxide (1%) degradation of chitosan solution (3%) in dilute lactic acid at ambient temperature. The molecular weights of degraded chitosan were measured by gel permeation chromatography, and the chemical structure of resultant COS were characterized by Fourier transform infrared spectra. The decrease of chitosan Mw followed the first-order kinetics with the rate constant of 5.71 × 10{sup −7} mol/g/h. As a result, the COS with Mw of 4500 g/mol was obtained at 360 h of the reaction time and its chemical structure almost remained the same as initial chitosan. Germination ability of soybean seeds pre-soaking in COS (4500 g/mol) solution with different concentrations, particularly 0 (control), 50, 100 and 200 mg/L was investigated. Results indicated that germination rate increased significantly for all soybean seeds treated with COS compared to the control. Thus, COS prepared by this method can be potentially applied to large-scale production with reasonably low cost and used as an effective biostimulant for sustainable agriculture.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2018

Aβ1-40 mediated aggregation of proteins and metabolites unveils the relevance of amyloid cross-seeding in amyloidogenesis

The multicomponent nature of neuronal plaques in Alzheimer's disease signifies the possible recruitment of non-Aβ candidates during the amyloid growth of Aβ peptides. Here, we show that amyloid fibrils of Aβ{sub 1-40} peptide can effectively initiate amyloid formation in different globular proteins and metabolites, converting native structures into β-sheet rich assemblies. Structural and biophysical properties of the resultant protein fibrils display amyloid like characteristic features. Viable contacts between Aβ peptide's cross-β architecture and the native structure of proteins, mediated through H-bonds and hydrophobic interactions seem crucial for the onset of amyloid cross-seeding. Results reveal the inherent cross-seeding potential of Aβ amyloids to initiate amyloid formation process in proteins and metabolites and revelation of such a property may further our mechanistic understanding of amyloid pathologies.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2018

Sesaminol diglucoside, a water-soluble lignan from sesame seeds induces brown fat thermogenesis in mice

Highlights: • Aqueous extract of black sesame seeds induces brown fat thermogenesis in mice. • SDG purified from the aqueous sesame extract prevents weight gain in HFD fed mice. • SDG induces brown fat thermogenesis through β3-adrenergic receptors. Brown adipose tissue (BAT) is the site of non-shivering thermogenesis in mammals, wherein energy is dissipated as heat. We observed that aqueous extract of black sesame seed triggers an increase in the expression of Uncoupling Protein 1 (UCP1) in brown adipocytes from mice. The active component from the extract was purified and identified to be sesaminol diglucoside (SDG). SDG treatment decreased mass of white fat pads and serum glucose levels and increased UCP1 levels in BAT thereby protecting mice against high fat induced weight gain. Further in silico and in vitro studies revealed that these effects are due to the agonist like behaviour of SDG towards beta 3 adrenergic receptors (β3-AR). Together, our results suggest that SDG induces BAT mediated thermogenesis through β3-AR and protects mice against diet-induced obesity.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2016

Landau level splitting in nitrogen-seeded epitaxial graphene

We present a new form of semiconducting graphene grown on C-face silicon carbide, SiC(0001), seeded with a sub-monolayer of nitrogen. This graphene exhibits a gap of 0.3-0.7 eV from the Fermi level to the valence band dependent on lm thickness as measured via angle resolved photo-emission spectroscopy (ARPES). Scanning tunneling microscopy (STM) images imply that the bandgap may be the result of strain-induced confinement. STM indicates that much of the graphene consists of wide at hexagonal plateaus, 8-20 nm2 on average, surrounded by both smooth and disordered folds of length scales from 0.5-2 nm tall, 1-4 nm thick, and 1-20 nm long. The remainder of the surface is covered in smooth or disordered ripples and folds intermixed. Scanning tunneling spectroscopy (STS) measurements on all features show peaks suggestive of Landau levels, and have been analyzed to give pseudo-magnetic field magnitudes. The magnetic lengths associated with these fields are less than the average plateau diameter but comparable to typical fold widths. We consider a growth process whereby the graphene grows pinned to the substrate by the interface nitrogen. The graphene experiences compressive strain as a result of both this pinning as well as competing thermal expansion forces between the substrate and lm. As a result, graphene on nitrogen-seeded SiC has a more concentrated network of strained ripples and folds than seen on C-face SiC graphene without nitrogen.

36 MATERIALS SCIENCE↗
DOE OSTI2016

Clinical Significance of Accounting for Tissue Heterogeneity in Permanent Breast Seed Implant Brachytherapy Planning

Purpose: The inhomogeneity correction factor (ICF) method provides heterogeneity correction for the fast calculation TG43 formalism in seed brachytherapy. This study compared ICF-corrected plans to their standard TG43 counterparts, looking at their capacity to assess inadequate coverage and/or risk of any skin toxicities for patients who received permanent breast seed implant (PBSI). Methods and Materials: Two-month postimplant computed tomography scans and plans of 140 PBSI patients were used to calculate dose distributions by using the TG43 and the ICF methods. Multiple dose-volume histogram (DVH) parameters of clinical target volume (CTV) and skin were extracted and compared for both ICF and TG43 dose distributions. Short-term (desquamation and erythema) and long-term (telangiectasia) skin toxicity data were available on 125 and 110 of the patients, respectively, at the time of the study. The predictive value of each DVH parameter of skin was evaluated using the area under the receiver operating characteristic (ROC) curve for each toxicity endpoint. Results: Dose-volume histogram parameters of CTV, calculated using the ICF method, showed an overall decrease compared to TG43, whereas those of skin showed an increase, confirming previously reported findings of the impact of heterogeneity with low-energy sources. The ICF methodology enabled us to distinguish patients for whom the CTV V{sub 100} and V{sub 90} are up to 19% lower compared to TG43, which could present a risk of recurrence not detected when heterogeneity are not accounted for. The ICF method also led to an increase in the prediction of desquamation, erythema, and telangiectasia for 91% of skin DVH parameters studied. Conclusions: The ICF methodology has the advantage of distinguishing any inadequate dose coverage of CTV due to breast heterogeneity, which can be missed by TG43. Use of ICF correction also led to an increase in prediction accuracy of skin toxicities in most cases.

62 RADIOLOGY AND NUCLEAR MEDICINE↗
DOE OSTI2020

Generation of camelina mid-oleic acid seed oil by identification and stacking of fatty acid biosynthetic mutants

Modifying oilseeds to obtain a desired fatty acid composition is often necessary to enable use as feedstocks for specific applications such as food processing, biofuels, or biolubricants. A mutant population of camelina (Camelina sativa), an emerging specialty oilseed crop, was screened by high-throughput gas chromatography for lines with altered seed oil fatty acid composition. By leveraging knowledge of fatty acid synthesis in Arabidopsis thaliana, mutations in orthologs of FATTY ACID ELONGASE1 (FAE1), FATTY ACID DESATURASE2 (FAD2), FATTY ACID DESATURASE3 (FAD3), and β-KETO-ACYL-ACP SYNTHASE II (KASII; FAB1) were identified. The mutations altered conserved amino acid residues in the encoded proteins. The ability of the mutations in FAE1, FAD2 and FAD3 to affect enzyme function was demonstrated by comparing in vivo activities of wild-type and mutant alleles in yeast. In addition, expression of wild-type cDNA in camelina complemented fatty acid phenotypes of these mutants. As camelina has a hexaploid genome, the effect of a mutation in one of the three homeologs for each gene resulted in no or less severe growth phenotypes compared to similar mutations in Arabidopsis. Mid-oleic oils with nearly 40 % oleic acid and reduced very long-chain (≤C20) fatty acid content were obtained by crossing to obtain a fae1c/fad2a/fae1a/fad3a quadruple mutant. Little effect on total seed oil content was observed in the stacked mutant line. Finally, the resulting mid-oleic acid oil had improved oxidative stability due to reductions in polyunsaturated fatty acid content, increasing its utility for biofuels and other applications.

09 BIOMASS FUELS↗
DOE OSTI2023

Distributed approximate minimal Steiner trees with millions of seed vertices on billion-edge graphs

In this report, we present a parallel 2-approximation Steiner minimal tree algorithm and its MPI-based distributed implementation. In place of expensive distance computations between all pairs of seed vertices, the solution we employ exploits a cheaper Voronoi cell computation. Our design leverages asynchronous processing and message prioritization to accelerate convergence of distance computations, and harnesses vertex and edge centric processing to offer fast time-to-solution. We demonstrate scalability and performance using real-world graphs with up to 128 billion edges and 512 compute nodes, and show the ability to find Steiner trees with up to one million seed vertices. Using 12 data instances, we present comparison with the state-of-the-art exact solver, SCIP-Jack, and two sequential 2-approximate algorithms. We empirically show that, on average, the total distance of the Steiner tree identified by our solution is 1.1290 times greater than the Steiner minimal tree – well within the theoretical approximation bound of 2.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2016

Top-seeded solution crystal growth of noncentrosymmetric and polar Zn{sub 2}TeMoO{sub 7} (ZTM)

A top-seeded solution growth (TSSG) method was used to grow large, centimeter size, crystals of Zn{sub 2}TeMoO{sub 7} (ZTM) – a noncentrosymmetric and polar material. A TeO{sub 2}–MoO{sub 3} mixture in combination with the parent compound was used as a flux. The morphologies of the crystals can be controlled by different rotation speeds. Optical spectra indicate that ZTM is transparent up to 5.25 µm with a UV absorption edge of 300 nm. In addition, the refractive index along the optical x, y, and z axes was measured at different wavelengths. - Highlights: • Zn{sub 2}TeMo{sub 2}O{sub 7} crystals were grown by top-seeded solution growth (TSSG) method. • The morphology of the single crystals is controllable by changing rotation speed. • Optical transmission spectra indicate Zn{sub 2}TeMo{sub 2}O{sub 7} has a broad transmission range. • Refractive index along optical axes was measured at different wavelengths.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2015

Functional chitosan-based grapefruit seed extract composite films for applications in food packaging technology

Highlights: • Chitosan-based grapefruit seed extract (GFSE) films were solution casted. • GFSE was uniformly dispersed within all chitosan film matrices. • All chitosan-based composite films showed remarkable transparency. • Increasing amounts of GFSE incorporated increased the elongation at break of films. • Chitosan-based GFSE composite films inhibited the proliferation of fungal growth. - Abstract: Chitosan-based composite films with different amounts of grapefruit seed extract (GFSE) (0.5, 1.0 and 1.5% v/v) were fabricated via solution casting technique. Experimental results showed that GFSE was uniformly dispersed within all chitosan film matrices. The presence of GFSE made the films more amorphous and tensile strength decreased, while elongation at break values increased as GFSE content increased. Results from the measurement of light transmission revealed that increasing amounts of GFSE (from 0.5 to 1.5% v/v) did not affect transparency of the films. Furthermore, packaging of bread samples with chitosan-based GFSE composite films inhibited the proliferation of fungal growth as compared to control samples. Hence, chitosan-based GFSE composite films have the potential to be a useful material in the area of food technology.

36 MATERIALS SCIENCE↗
DOE OSTI2015

Alignment nature of ZnO nanowires grown on polished and nanoscale etched lithium niobate surface through self-seeding thermal evaporation method

Highlights: • ZnO nanowires were grown directly on LiNbO{sub 3} surface for the first time by thermal evaporation. • Self-alignment of the nanowires due to step bunching of LiNbO{sub 3} surface is observed. • Increased roughness in surface defects promoted well-aligned growth of nanowires. • Well-aligned growth was then replicated in 50 nm deep trenches on the surface. • Study opens novel pathway for patterned growth of ZnO nanowires on LiNbO{sub 3} surface. - Abstract: High aspect ratio catalyst-free ZnO nanowires were directly synthesized on lithium niobate substrate for the first time through thermal evaporation method without the use of a buffer layer or the conventional pre-deposited ZnO seed layer. As-grown ZnO nanowires exhibited a crisscross aligned growth pattern due to step bunching of the polished lithium niobate surface during the nanowire growth process. On the contrary, scratches on the surface and edges of the substrate produced well-aligned ZnO nanowires in these defect regions due to high surface roughness. Thus, the crisscross aligned nature of high aspect ratio nanowire growth on the lithium niobate surface can be changed to well-aligned growth through controlled etching of the surface, which is further verified through reactive-ion etching of lithium niobate. The investigations and discussion in the present work will provide novel pathway for self-seeded patterned growth of well-aligned ZnO nanowires on lithium niobate based micro devices.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2016

Dosimetric and radiobiological comparison of volumetric modulated arc therapy, high-dose rate brachytherapy, and low-dose rate permanent seeds implant for localized prostate cancer

To investigate the dosimetric and radiobiological differences among volumetric modulated arc therapy (VMAT), high-dose rate (HDR) brachytherapy, and low-dose rate (LDR) permanent seeds implant for localized prostate cancer. A total of 10 patients with localized prostate cancer were selected for this study. VMAT, HDR brachytherapy, and LDR permanent seeds implant plans were created for each patient. For VMAT, planning target volume (PTV) was defined as the clinical target volume plus a margin of 5 mm. Rectum, bladder, urethra, and femoral heads were considered as organs at risk. A 78 Gy in 39 fractions were prescribed for PTV. For HDR and LDR plans, the dose prescription was D{sub 90} of 34 Gy in 8.5 Gy per fraction, and 145 Gy to clinical target volume, respectively. The dose and dose volume parameters were evaluated for target, organs at risk, and normal tissue. Physical dose was converted to dose based on 2-Gy fractions (equivalent dose in 2 Gy per fraction, EQD{sub 2}) for comparison of 3 techniques. HDR and LDR significantly reduced the dose to rectum and bladder compared with VMAT. The D{sub mean} (EQD{sub 2}) of rectum decreased 22.36 Gy in HDR and 17.01 Gy in LDR from 30.24 Gy in VMAT, respectively. The D{sub mean} (EQD{sub 2}) of bladder decreased 6.91 Gy in HDR and 2.53 Gy in LDR from 13.46 Gy in VMAT. For the femoral heads and normal tissue, the mean doses were also significantly reduced in both HDR and LDR compared with VMAT. For the urethra, the mean dose (EQD{sub 2}) was 80.26, 70.23, and 104.91 Gy in VMAT, HDR, and LDR brachytherapy, respectively. For localized prostate cancer, both HDR and LDR brachytherapy were clearly superior in the sparing of rectum, bladder, femoral heads, and normal tissue compared with VMAT. HDR provided the advantage in sparing of urethra compared with VMAT and LDR.

61 RADIATION PROTECTION AND DOSIMETRY↗
DOE OSTI2026

From Weibel seeds to dynamo beyond pair-plasmas

Bridging the spatiotemporal scales of magnetic seed field generation and subsequent dynamo amplification in the weakly collisional intracluster medium presents an extreme numerical challenge. We perform collisionless turbulence simulations with initially unmagnetised electrons that capture both magnetic seed generation via the electron Weibel instability and the ensuing dynamo amplification. Going beyond existing pair-plasma studies, we use an ion-to-electron mass ratio of 100 for which we find electron and ion dynamics are sufficiently decoupled. These simulations are enabled by the 10-moment collisionless fluid solver of Gkeyll, which evolves the full pressure tensor for all species. The electron heat-flux closure regulates pressure isotropisation and effectively sets the magnetic Reynolds number. We investigate how the strength of the closure influences the transition between a regime reminiscent of previous kinetic pair-plasma simulations and a regime exhibiting dynamo behaviour qualitatively similar to magnetohydrodynamics.

astrophysical plasmas↗
DOE OSTI2024

Tunable Growth of Layered Double Hydroxide Nanosheets through Hydrothermal Conversion of Atomic Layer Deposition Seed Layers

To enable the design and manufacturing of hierarchical nanomaterial architectures, there is a need for synthesis and processing methods that can enable tunable geometric control at the nanoscale while maintaining conformality on complex 3-D templates. Here, in this study, we explore the programmable control of vertically oriented Zn-Al layered double hydroxide (LDH) nanosheet arrays using atomic layer deposition (ALD) to deposit a seed layer of Al 2 O 3 , which is subsequently consumed and converted into the LDH phase under hydrothermal growth conditions. We demonstrate tunable control over the spacing and length of the nanosheets by varying the thickness of the initial ALD seed layer with subnanometer precision. This can be viewed as a nanoscale titration reaction, where Al acts as the limiting reagent during the hydrothermal synthesis of the nanosheets. Elemental mapping demonstrates the dynamic evolution of the resulting morphology, which is driven by surface diffusion and nucleation processes. The conformal nature of ALD allows for hierarchical growth of nanosheets on the surface of a variety of nonplanar substrate geometries, including microposts, paper fibers, and porous ceramic supports. This illustrates the power of ALD to enable bottom-up growth of 3-D nanoarchitectures with tunable geometries by controlling nucleation and growth in subsequent solution reactions.

36 MATERIALS SCIENCE↗