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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 1,081 records · Page 60
All sourcesNASA NTRSDOE OSTI
DOE OSTI2018

Improvement of Electropolishing of 1100 Al Alloy for Solar Thermal Applications

Aluminum sheets-based mirrors are finding applicability in high-temperature solar concentrating technologies because they are cost-effective, lightweight and have high mechanical properties. Nonetheless, the reflectance percentages obtained by electropolishing are not close to the reflectance values of the currently used evaporated films. Therefore, controlling key factors affecting electropolishing processes became essential in order to achieve highly reflective aluminum surfaces. This study investigated the effect of both the electropolishing process and previous heat treatment on the total reflectance of the AA 1100 aluminum alloy. An acid electrolyte and a modified Brytal process were evaluated. Total reflectance was measured by means of UV–Vis spectrophotometry. Reflectance values higher than 80% at 600 nm were achieved for both electrolytes. Optical microscopy and scanning electron microscopy images showed uneven dissolution for the acid electropolished samples causing a reflectance drop in the 200-450 nm region. The influence of heat treatment, previously to electropolishing, was tested at two different temperatures and various holding times. It was found that reflectance increases around 15% for the heat-treated and electropolished samples versus the non-heat-treated ones. A heat treatment at low temperature combined with a short holding time was enough to improve the sample total reflectance.

36 MATERIALS SCIENCE↗
DOE OSTI2019

Structural evolutions of small aromatic mixtures under extreme temperature conditions: Insights from ReaxFF molecular dynamics investigations

Conversion mechanisms of carbonaceous materials during controlled pyrolysis under high temperature currently rely on empirical understanding, rather than a detailed atomistic description of the underlying chemical evolution. Here in this work, a series of molecular dynamics simulations, based on reactive force fields, were performed to probe the structural evolutions of small aromatic (number of aromatic rings ≤4) mixtures under extreme conditions (temperature 3000–4000 K). For any temperature studied and independent of the presence of alkane radicals, three major gas-phase byproducts, H 2 , C 2 H 2 , and C 2 H 4 , were found in bulk treated by rapid heating. Temperatures as well as alkane addition can affect the production/consumption rates and fractionation of these gas species. Compared to alkane radicals, temperatures also play important roles in modulating the initial growth pathways of solid carbon clusters. At 3000 K, aromatic carbon cluster formation is mainly initiated through the direct combination of aryl radicals. Conversely, at 4000K, carbon cluster formation is initiated by the assembly of chained radicals, since substantial polyacetylenic chains were produced. Through cross comparison on different simulation models/methods, as well as with experiments, the effect of processing conditions on carbonaceous materials conversion was revealed, and underlying mechanisms responsible for the observed phenomena are proposed.

36 MATERIALS SCIENCE↗
DOE OSTI2019

Design of ECH launcher for KSTAR advanced Tokamak operation

For the advanced tokamak operation in Korea Superconducting Tokamak Advanced Research (KSTAR), up to 6 MW of electron cyclotron heating (ECH) is planned. The ECH launcher should be able to operate in steady state and serve as a central/off-axis heating and current drive, q-profile control, and control of the neoclassical tearing mode (NTM) and sawtooth. The water cooled launchers have been upgraded to include continuous operation with precise, high-speed real-time control of the beams by integration with the plasma control system (PCS) for supporting the experiments, in particular for suppressing NTM. Here, the launcher was successfully operated for 78 s with about 650 kW EC power, where the temperature of the coolant, with a flow rate of 9.6 lpm, is saturated and approximately 2 °C. The launcher control system had a maximum control cycle of 5 kHz and a motor latency of about 10 ms, and the poloidal scanning speed of the beam was 20 °/s. Additionally, for the higher localization of power deposition, the curvature and size of the mirrors in the launcher were optimized. This paper presents the ECH launcher design and its control system with the operation results.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2021

A Mouse Model for Microbeam Radiation Therapy of the Lung

Radiation therapy is an important treatment component for patients with lung cancer. However, the survival time gained with clinical radiation therapy techniques is relatively short. Data from preclinical experiments suggest that synchrotron microbeam radiation therapy could be much better suited to control malignant brain tumors than current clinical concepts of radiation therapy. Even at peak doses of several hundred gray, the extent of functional deficits is low.

62 RADIOLOGY AND NUCLEAR MEDICINE↗
DOE OSTI2020

Impact of acid site speciation and spatial gradients on zeolite catalysis

This mini-review provides an overview of the current state of acid site control in zeolite catalysts, including methods of synthesis, advanced characterization, and measured effects of acid properties (speciation, concentration, proximity, siting, and spatial distribution) on a variety of commerciallyrelevant reactions. The diversity of aluminum species is described with respect to their location at specific sites in zeolite crystals as well as mesoscopic gradients in elemental composition that give rise to zoned or core-shell architectures. Challenges in the identification of acid siting are highlighted within the context of trial-and-error synthesis methods for a range of aluminosilicate frameworks, which hinder a priori design of catalysts, and limitations in techniques to suitably characterize active sites. Emphasis is also placed on knowledge gaps in zeolite catalysis wherein broad development of structure-performance relationships relies on future advancement of synthesis and analytical methods in parallel with atomistic modeling.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

Characterization of fusion welded ceramics in the SiC-ZrB 2 -ZrC system

Various SiC-ZrB 2 -ZrC ceramics were joined by fusion welding to determine the maximum silicon carbide content that could be joined. Commercial powders were hot pressed, machined, and preheated to 1450 °C before joining with a tungsten inert gas welding torch at 160–200 A. Resulting welds were cross-sectioned and analyzed to determine which compositions were weldable and to characterize microstructural evolution in welded samples. As compositions approached the ternary eutectic, the welds had smaller SiC grains and exhibited better weldability. Penetration depth of welds was controlled by a combination of current input and welding speed. Here, the ternary eutectic in the system was found at 36.9 ± 1.3 vol% SiC, 42.7 ± 1.5 vol% ZrB 2 , and 20.4 ± 1.9 vol% ZrC and its melting temperature was 2330 ± 23 °C. A ternary phase diagram for the SiC-ZrB 2 -ZrC was constructed and proposed via microstructural analysis of arc melted pellets on binary joins between each binary eutectic and the ternary eutectic in the system.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Round-robin analysis of highly depleted lithium for Generation IV nuclear reactor applications

Lithium reference materials containing unnaturally high abundances of 7 Li are not currently available, which poses quality control problems for highly depleted lithium materials (i.e., depleted in 6 Li) required for Generation IV nuclear reactors. This study presents an interlaboratory comparison of a lithium carbonate (NIST SRM924a) containing nominally natural isotopic abundances (~92.4 % Li-7) and a highly depleted lithium hydroxide material (~99.95 % Li-7). The natural lithium isotope abundances of NIST SRM924a are confirmed, and the 6 Li/ 7 Li ratio of the lithium hydroxide ranged from 0.000399 to 0.000436 with an average of 0.000428 ± 0.000023 (2SD, n = 9). Finally, going forward this material can be used as quality control for analytical work involving highly depleted lithium.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2018

Modeling nitrogen chemistry in combustion

Understanding of the chemical processes that govern formation and destruction of nitrogen oxides (NO x ) in combustion processes continues to be a challenge. Even though this area has been the subject of extensive research over the last four decades, there are still unresolved issues that may limit the accuracy of engineering calculations and thereby the potential of primary measures for NO x control. In this review our current understanding of the mechanisms that are responsible for combustion-generated nitrogen-containing air pollutants is discussed. The thermochemistry of the relevant nitrogen compounds is updated, using the Active Thermochemical Tables (ATcT) approach. Rate parameters for the key gas-phase reactions of the nitrogen species are surveyed, based on available information from experiments and high-level theory. The mechanisms for thermal and prompt-NO, for fuel-NO, and NO formation via NNH or N 2 O are discussed, along with the chemistry of NO removal processes such as reburning and Selective Non-Catalytic Reduction of NO. Each subset of the mechanism is evaluated against experimental data and the accuracy of modeling predictions is discussed.

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

Slit/Robo1 signaling regulates neural tube development by balancing neuroepithelial cell proliferation and differentiation

Formation of the neural tube is the morphological hallmark for development of the embryonic central nervous system (CNS). Therefore, neural tube development is a crucial step in the neurulation process. Slit/Robo signaling was initially identified as a chemo-repellent that regulated axon growth cone elongation, but its role in controlling neural tube development is currently unknown. To address this issue, we investigated Slit/Robo1 signaling in the development of chick neCollege of Life Sciences Biocentre, University of Dundee, Dundee DD1 5EH, UKural tube and transgenic mice over-expressing Slit2. We disrupted Slit/Robo1 signaling by injecting R5 monoclonal antibodies into HH10 neural tubes to block the Robo1 receptor. This inhibited the normal development of the ventral body curvature and caused the spinal cord to curl up into a S-shape. Next, Slit/Robo1 signaling on one half-side of the chick embryo neural tube was disturbed by electroporation in ovo. We found that the morphology of the neural tube was dramatically abnormal after we interfered with Slit/Robo1 signaling. Furthermore, we established that silencing Robo1 inhibited cell proliferation while over-expressing Robo1 enhanced cell proliferation. We also investigated the effects of altering Slit/Robo1 expression on Sonic Hedgehog (Shh) and Pax7 expression in the developing neural tube. We demonstrated that over-expressing Robo1 down-regulated Shh expression in the ventral neural tube and resulted in the production of fewer HNK-1{sup +} migrating neural crest cells (NCCs). In addition, Robo1 over-expression enhanced Pax7 expression in the dorsal neural tube and increased the number of Slug{sup +} pre-migratory NCCs. Conversely, silencing Robo1 expression resulted in an enhanced Shh expression and more HNK-1{sup +} migrating NCCs but reduced Pax7 expression and fewer Slug{sup +} pre-migratory NCCs were observed. In conclusion, we propose that Slit/Robo1 signaling is involved in regulating neural tube development by tightly coordinating cell proliferation and differentiation during neurulation. - Highlights: ► The role of Slit/Robo1 signaling was investigated with chick and mouse models. ► Disturbance of Slit/Robo1 signaling resulted in neural tube defects. ► Slit/Robo1 signaling regulated the proliferation of neural tube cells. ► Slit/Robo1 signaling modulated the differentiation of neural tube cells. ► Slit/Robo1 signaling balanced the proliferation and differentiation of neural tube.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2016

Solvent-Based Atomistic Theory for Doping Colloidal-Synthesized Quantum Dots via Cation Exchange

Electronic applications require the ability to dope a material with a controllable amount of impurities. However, current understanding of the doping mechanism in colloidal–synthesized quantum dots (QDs) is still limited. This is in contrast with bulk semiconductors for which first-principles-based theories have been well established. Using prototype CdSe as an example, in this report we propose an atomistic theory for the doping of colloidal-synthesized QDs. The key in our theory is the evaluation of atomic chemical potential inside the solution, whose range can deviate considerably from the bulk value due to the presence of solvent. This theory, coupled to first-principles calculations and ab initio molecular dynamics, is able to explain the difference of doping limit in Mn (or Co)-doped CdSe QDs and their bulk counterparts. It also explains the doping behavior of a number of other 3d transition-metal impurities in CdSe QDs in contrast with the solid case.

36 MATERIALS SCIENCE↗
DOE OSTI2017

Surface Atomic Structure and Functionality of Metallic Nanoparticles: A Case Study of Au–Pd Nanoalloy Catalysts

The surface atomic structure of metallic nanoparticles (NPs) plays a key role in shaping their physicochemical properties and response to external stimuli. Not surprisingly, current research increasingly focuses on exploiting its prime characteristics, including the amount, location, coordination, and electronic configuration of distinct surface atomic species, as tunable parameters for improving the functionality of metallic NPs in practical applications. The effort requires clear understanding of the extent to which changes in each of these characteristics would contribute to achieving the targeted functionality. This, in the first place, requires good knowledge of the actual surface of metallic NPs at atomic level. Through a case study on Au–Pd nanoalloy catalysts of industrial and environmental importance, we demonstrate that the surface atomic structure of metallic NPs can be determined in good detail by resonant high-energy X-ray diffraction (HE-XRD). Furthermore, using our experimental surface structure and CO oxidation activity data, we shed new light on the elusive origin of the remarkable catalytic synergy between surface Au and Pd atoms in the nanoalloys. In particular, we show that it arises from the formation of a specific “skin” on top of the nanoalloys that involves as many unlike, i.e., Au–Pd and Pd–Au, atomic pairs as possible given the overall chemical composition of the NPs. Moreover, unlike atoms from the “skin” interact strongly, including both changing their size and electronic structure in inverse proportions. That is, Au atoms shrink and acquire a partial positive charge of 5d-character whereas Pd atoms expand and become somewhat 4d-electron deficient. Accordingly, the reactivity of Au increases whereas Pd atoms become less reactive, as compared to atoms at the surface of pure Au and Pd NPs, respectively. Ultimately, this renders Au–Pd alloy NPs superb catalysts for CO oxidation reaction over a broad range of alloy compositions. Our findings are corroborated by DFT calculations based on a refined version of d-band center theory on the catalytic properties of late transition metals and alloys. Here, we discuss opportunities for improving the accuracy of current theory on surface-controlled properties of metallic NPs through augmenting the theory with surface structure data obtained by resonant XRD.

36 MATERIALS SCIENCE↗
DOE OSTI2018

Multifunctional Microelectro-Opto-mechanical Platform Based on Phase-Transition Materials

Along with the rapid development of hybrid electronic-photonic systems, multifunctional devices with dynamic responses have been widely investigated for improving many optoelectronic applications. For years, microelectro-opto-mechanical systems (MEOMS), one of the major approaches to realizing multifunctionality, have demonstrated profound reconfigurability and great reliability. However, modern MEOMS still suffer from limitations in modulation depth, actuation voltage, or miniaturization. Here, we demonstrate a new MEOMS multifunctional platform with greater than 50% optical modulation depth over a broad wavelength range. This platform is realized by a specially designed cantilever array, with each cantilever consisting of vanadium dioxide, chromium, and gold nanolayers. The abrupt structural phase transition of the embedded vanadium dioxide enables the reconfigurability of the platform. Diverse stimuli, such as temperature variation or electric current, can be utilized to control the platform, promising CMOS-compatible operating voltage. Multiple functionalities, including an active enhanced absorber and a reprogrammable electro-optic logic gate, are experimentally demonstrated to address the versatile applications of the MEOMS platform in fields such as communication, energy harvesting, and optical computing.

36 MATERIALS SCIENCE↗
DOE OSTI2026

Oxygen Distribution and Segregation at Grain Boundaries in Nb and Ta-Encapsulated Nb Thin Films for Superconducting Qubits

We report on atomic-scale analyses of oxygen distribution and segregation at grain boundaries (GBs) of Nb and Ta-encapsulated Nb (Ta/Nb) thin films for superconducting qubits using atom probe tomography (APT) and transmission electron microscopy (TEM). We observe oxygen segregation at grain boundaries (GBs) relative to the oxygen concentration within the grains for both Nb and Ta-capped Nb thin films and find that a higher oxygen concentration in the interior of Nb grains leads to greater oxygen segregation levels at GBs. This finding reveals that the formation of a local equilibrium of oxygen concentration between GBs and grain interiors of Nb is the primary driving force of the oxygen segregation behaviors in Nb and Ta-capped Nb. The enrichment factors (CGB/Cgrain) for oxygen segregation at GBs in Nb and Ta-capped Nb range from 2.4 ± 0.3 to 2.7 ± 0.4. The current results also highlight that controlling oxygen impurities in Nb during film deposition and fabrication processing is important to concomitantly reducing the level of oxygen segregation at GBs in Nb. Finally, we find that increases in the oxygen concentration in both Nb grains and GBs correlate with a suppression in the critical temperature for superconductivity (Tc). Together, our comparative chemical and charge transport property analyses provide atomic-scale insights into a potential mechanism, contributing to the decoherence in superconducting qubits.

Lee, Jaeyel [Fermilab] (ORCID:0000000185429612)↗
DOE OSTI2015

A hybrid DNA-templated gold nanocluster for enhanced enzymatic reduction of oxygen

We report the synthesis and characterization of a new DNA-templated gold nanocluster (AuNC) of ~1 nm in diameter and possessing ~7 Au atoms. When integrated with bilirubin oxidase (BOD) and single walled carbon nanotubes (SWNTs), the AuNC acts as an enhancer of electron transfer (ET) and lowers the overpotential of electrocatalytic oxygen reduction reaction (ORR) by ~15 mV as compared to the enzyme alone. In addition, the presence of AuNC causes significant enhancements in the electrocatalytic current densities at the electrode. Control experiments show that such enhancement of ORR by the AuNC is specific to nanoclusters and not to plasmonic gold particles. Rotating ring disk electrode (RRDE) measurements confirm 4e– reduction of O 2 to H 2 O with minimal production of H 2 O 2 , suggesting that the presence of AuNC does not perturb the mechanism of ORR catalyzed by the enzyme. This unique role of the AuNC as enhancer of ET at the enzyme-electrode interface makes it a potential candidate for the development of cathodes in enzymatic fuel cells, which often suffer from poor electronic communication between the electrode surface and the enzyme active site. In conclusion, the AuNC displays phosphorescence with large Stokes shift and microsecond lifetime.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2024

Complex Fluid‐Driven Fractures Caused by Crack‐Parallel Stress

Abstract Managing fluid‐driven fracture networks is crucial for subsurface resource utilization, yet the current understanding of the key controlling factors remains insufficient. While geologic discontinuities have been shown to significantly influence fracture network complexity, this study identifies another major contributor. We conducted a new set of experiments using a transparent true triaxial cell, which enabled video recording of the temporal evolution of fluid‐driven fracture paths. Using pseudo‐2D samples without macroscale structural discontinuities, we observed multiple occurrences of hydraulic fracture curving and branching under anisotropic boundary stresses. We proposed a theoretical model demonstrating that the stress parallel to the crack line in the solid matrix near the crack tip (i.e., the T ‐stress) accounts for the observed fracture curving behavior. This finding suggests that T ‐stress is an additional mechanism contributing to the complexity of fluid‐driven fracture networks in the subsurface, besides the geologic discontinuities.

58 GEOSCIENCES↗
DOE OSTI2023

A quinary WTaCrVHf nanocrystalline refractory high-entropy alloy withholding extreme irradiation environments

In the quest of new materials that can withstand severe irradiation and mechanical extremes for advanced applications (e.g. fission & fusion reactors, space applications, etc.), design, prediction and control of advanced materials beyond current material designs become paramount. Here, through a combined experimental and simulation methodology, we design a nanocrystalline refractory high entropy alloy (RHEA) system. Compositions assessed under extreme environments and in situ electron-microscopy reveal both high thermal stability and radiation resistance. We observe grain refinement under heavy ion irradiation and resistance to dual-beam irradiation and helium implantation in the form of low defect generation and evolution, as well as no detectable grain growth. The experimental and modeling results—showing a good agreement—can be applied to design and rapidly assess other alloys subjected to extreme environmental conditions.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Magnetic droplet soliton pairs

We demonstrate magnetic droplet soliton pairs in all-perpendicular spin-torque nano-oscillators (STNOs), where one droplet resides in the STNO free layer (FL) and the other in the reference layer (RL). Typically, theoretical, numerical, and experimental droplet studies have focused on the FL, with any additional dynamics in the RL entirely ignored. Here we show that there is not only significant magnetodynamics in the RL, but the RL itself can host a droplet driven by, and coexisting with, the FL droplet. Both single droplets and pairs are observed experimentally as stepwise changes and sharp peaks in the dc and differential resistance, respectively. While the single FL droplet is highly stable, the coexistence state exhibits high-power broadband microwave noise. Furthermore, micromagnetic simulations reveal that the pair dynamics display periodic, quasi-periodic, and chaotic signatures controlled by applied field and current. The strongly interacting and closely spaced droplet pair offers a unique platform for fundamental studies of highly non-linear soliton pair dynamics.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗