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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 145 records · Page 8

Integrating magnetic Co-nanopillars in a NbN-based VAN thin film as a multifunctional hybrid metamaterial

NbN thin films are considered as a promising alternative candidate to conventional Al superconducting electrodes for Josephson junction devices, superconducting qubits and quantum logic circuits. Herein, by co-growing ferromagnetic Co with superconducting NbN, self-assembled NbN–Co vertically aligned nanocomposite (VAN) thin films have been successfully deposited on a MgO substrates, with NbN in its cubic superconducting phase. The obtained VAN metamaterials exhibit epitaxial growth of NbN with uniformly dispersed Co nanoplates. Further physical property characterization reveals that the NbN–Co VAN presents ferromagnet properties with strong out-of-plane magnetic anisotropy and optical anisotropy. This hybrid metamaterial system could find future applications in superconducting spintronic devices and quantum computing devices.

Zhang, Yizhi [Purdue Univ., West Lafayette, IN (Un↗

Anodic arc discharge: Why pulsed?

Pulsed anodic arc discharge is a novel synthesis method of nanomaterials by means of low-temperature atmospheric plasma. The technique consists in periodically supplying DC power to two vertically aligned electrodes in the form of short unipolar pulses with peak currents of a few hundred Amperes in helium atmosphere. The pulsed arc plasmas are sustained at frequencies of the order of 1 Hz with around 10% of duty cycle. It constitutes a versatile technique thanks to a series of advantages compared to continuous DC arc processes, in particular: flexibility in the experimental conditions, process stability and repeatability, better utilization of ablating anode material, lower production of macroparticles, and lower thermal loads. Such features are discussed in this article. A brief overview concerning the recent accomplishments of pulsed arc discharge on deposition of carbon nanostructures (graphene and carbon nanotubes) and few-layer flakes of molybdenum disulphide (MoS 2 ) is provided, as well as an outlook on future applications of this method for the discovery of new materials with tailored functional properties.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Room temperature multiferroicity and magnetodielectric coupling in 0–3 composite thin films

Magnetoelectric (ME) composite thin films are promising candidates for novel applications in future nanoelectronics, spintronics, memory and other multifunctional devices as they exhibit much higher ME coupling and transition temperatures (Tc) than well-known single phase multiferroics discovered to date. Among the three types of multiferroic composite nanostructures, (2-2) layered and (1-3) vertically aligned composite nanostructures exhibit comparatively smaller ME coupling due to different shortcomings which restrict their use in many applications. Here we study the morphological, piezoresponse force microscopic (PFM), ferroelectric, magnetic, and magnetodielectric properties of 0-3 (magnetic nanoparticles (0) homogeneously distributed in ferroelectric matrices (3)) multiferroic composite thin films. The Pb(Fe 0.5 Nb 0.5 )O 3 (PFN) - Ni 0.65 Zn 0.35 Fe 2 O 4 (NZFO) particulate composite films were synthesized by pulsed laser deposition (PLD). These particulate composite thin films are completely c-axis oriented with very low surface roughness. We observed magnetic and ferroelectric T c above room temperature (RT) for all composite thin films. The PFN-NZFO 0-3 composites exhibit large polarization, high saturated magnetization with low coercive field, low dielectric loss along with magnetodielectric coupling at RT. These nanocomposites might be utilized in next generation nano/microelectronics and spintronic devices.

36 MATERIALS SCIENCE↗

Role of transferred graphene on atomic interaction of GaAs for remote epitaxy

Remote epitaxy is a recently discovered type of epitaxy, wherein single-crystalline thin films can be grown on graphene-coated substrates following the crystallinity of the substrate via remote interaction through graphene. Although remote epitaxy provides a pathway to form freestanding membranes by controlled exfoliation of grown film at the graphene interface, implementing remote epitaxy is not straightforward because atomically precise control of interface is required. Here, we unveil the role of the graphene–substrate interface on the remote epitaxy of GaAs by investigating the interface at the atomic scale. By comparing remote epitaxy on wet-transferred and dry-transferred graphene, we show that interfacial oxide layer formed at the graphene–substrate interface hinders remote interaction through graphene when wet-transferred graphene is employed, which is confirmed by an increase of interatomic distance through graphene and also by the formation of polycrystalline films on graphene. On the other hand, when dry-transferred graphene is employed, the interface is free of native oxide, and single-crystalline remote epitaxial films are formed on graphene, with the interatomic distance between the epilayer and the substrate matching with the theoretically predicted value. The first atomic layer of the grown film on graphene is vertically aligned with the top layer of the substrate with these atoms having different polarities, substantiating the remote interaction of adatoms with the substrate through graphene. These results directly show the impact of interface properties formed by different graphene transfer methods on remote epitaxy.

36 MATERIALS SCIENCE↗

A DFT-based kinetic Monte Carlo simulation of multiphase oxide-metal thin film growth

Functional thin films of nanoscale metal pillars in oxide or nitride matrices known as vertically aligned nanocomposite (VAN) have gained much interest owing to their unique strain-coupled and highly anisotropic properties. So far, the deposition of these films has been explored mostly experimentally. In this work, a density functional theory (DFT)-based kinetic Monte Carlo simulation model using Bortz–Kalos–Lebowitz algorithm was developed to understand the growth of VAN films deposited by pulsed laser technique on mismatching substrates. The model has been parameterized and applied to understand the kinetics of growth thin films consisting of Au pillars in CeO2 matrix deposited on SrTiO3 substrates. The effects of pulsed laser deposition (PLD) conditions including the pulse frequency, deposition flux, and substrate temperature were explored. The simulations indicate that the Au pillar size and shape exhibit significant dependence on the PLD conditions. Namely, increasing the temperature increases the average pillar size and lowers the pillar density, and vice versa. In addition, the simulations revealed that increasing the deposition rate results in lowering the average pillar size and increasing the density. Particularly, the DFT results suggest that Au pillar size can be tuned during the initial growth of the first monolayer due to the significantly low activation barrier. Our analysis showed that the relationship between the average pillar size and pillar density is influenced by the kinetics. Furthermore, autocorrelation analysis showed that pillars self-organize in quasi-ordered patterns at certain windows of the deposition conditions, which is attributed to the complex nature of the chemical interactions in the system, the kinetics, and the deposition parameters.

Physics↗

Zymogen and activated protein C have similar structural architecture

Activated protein C is a trypsin-like protease with anticoagulant and cytoprotective properties that is generated by thrombin from the zymogen precursor protein C in a reaction greatly accelerated by the cofactor thrombomodulin. The molecular details of this activation remain elusive due to the lack of structural information. We now fill this gap by providing information on the overall structural organization of these proteins using single molecule Förster resonance energy transfer and small angle X-ray scattering. Under physiological conditions, both zymogen and protease adopt a conformation with all domains vertically aligned along an axis 76 Å long and maximal particle size of 120 Å. This conformation is stabilized by binding of Ca 2+ to the Gla domain and is affected minimally by interaction with thrombin. Hence, the zymogen protein C likely interacts with the thrombin-thrombomodulin complex through a rigid body association that produces a protease with essentially the same structural architecture. This scenario stands in contrast to an analogous reaction in the coagulation cascade where conversion of the zymogen prothrombin to the protease meizothrombin by the prothrombinase complex is linked to a large conformational transition of the entire protein. The presence of rigid EGF domains in protein C as opposed to kringles in prothrombin likely accounts for the different conformational plasticity of the two zymogens. The new structural features reported here for protein C have general relevance to vitamin K-dependent clotting factors containing EGF domains, such as factors VII, IX, and X.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Reducing leakage current and enhancing polarization in multiferroic 3D super-nanocomposites by microstructure engineering

Abstract Multiferroic materials have generated great interest due to their potential as functional device materials. Nanocomposites have been increasingly used to design and generate new functionalities by pairing dissimilar ferroic materials, though the combination often introduces new complexity and challenges unforeseeable in single-phase counterparts. The recently developed approaches to fabricate 3D super-nanocomposites (3D‐sNC) open new avenues to control and enhance functional properties. In this work, we develop a new 3D‐sNC with CoFe 2 O 4 (CFO) short nanopillar arrays embedded in BaTiO 3 (BTO) film matrix via microstructure engineering by alternatively depositing BTO:CFO vertically-aligned nanocomposite layers and single-phase BTO layers. This microstructure engineering method allows encapsulating the relative conducting CFO phase by the insulating BTO phase, which suppress the leakage current and enhance the polarization. Our results demonstrate that microstructure engineering in 3D‐sNC offers a new bottom–up method of fabricating advanced nanostructures with a wide range of possible configurations for applications where the functional properties need to be systematically modified.

36 MATERIALS SCIENCE↗

In-field critical current and pinning mechanisms at 4.2 K of Zr-added REBCO coated conductors

The critical current and pinning mechanisms at 4.2 K have been studied over a magnetic field range of 0–14 T for Zr-added (0, 5 and 15 mol.%) REBa 2 Cu 3 O 7-x (REBCO and RE = rare earth) coated conductors fabricated by advanced metal organic chemical vapor deposition (A-MOCVD). It is found that the (Ba + Zr)/Cu content in Zr-added (5 and 15 mol.%) REBCO affects the critical current at 77 K, 0 T as well as density, continuity and shape of BaZrO 3 (BZO) self-assembled nanocolumns and RE 2 O 3 in-plane precipitates that significantly enhance the pinning force density Fp(H) as well as isotropic pinning landscape at 4.2 K. In addition to bell-shape dependence of critical current density, J c , at 4.2 K with (Ba + Zr)/Cu content we observed an unusual Fp(H) behavior correlated to particular type of pinning centers, morphology and distribution that have been revealed by TEM microstructure analysis. By fitting the Dew–Hughes equation of the pinning force density Fp(H) at 4.2 K we extract the scaling behaviors of the Fp(H) associated with the competition of pinning mechanisms driven by vertically-aligned BZO nanorods and in-plane RE 2 O 3 pinning defects. This result sheds light on approaches towards interactive control of strong and isotropic pinning centers in Zr-added REBa 2 Cu 3 O 7-x (REBCO and RE = rare earth) coated conductors, and especially understanding the correlation between microstructural characteristics and vortex pinning mechanisms at 4.2 K in high magnetic fields.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Preparing Li-garnet electrodes with engineered structures by phase inversion and high shear compaction processes

We report solid-state lithium batteries are promising for safety and energy density com-pared with traditional lithium-ion batteries. However, the large interfacial resistance between the electrode and electrolyte is a bottleneck to achieving high-performance solid-state batteries. Engineered electrode structures with a porous scaffold of the solid electrolyte material are promising to lower the interfacial resistance and provide a mechanical support for a thin solid electrolyte layer. In this work, two ceramic processing techniques are used to fabricate porous/dense bilayer architectures based on a Li 6.25 Al 0.25 La 3 Zr 2 O 12 (LLZO) Li-garnet material. Finger-like vertically aligned pores are created by the phase inversion (PI) process. A water bath presaturated with Li salt prevents Li loss during the PI solvent exchange step. Pore size and porosity can be optimized by adjusting the bath temperature. The high shear compaction process was used to prepare LLZO tapes with 40, 60, and 80 vol% poreformer. The porosity of the tapes after sintering is 39.5%, 58.4%, and 75.4%, respectively. Microtomography exhibits the porosity, pore shape, and pore distribution of the tapes. A typical cathode material LiNi 0.33 Mn 0.33 Co 0.33 O 2 (NMC) is filled into the pores via vacuum infiltration, and a dense cathode layer is formed within the garnet scaffold.

25 ENERGY STORAGE↗

Synergistic effects of Al, Ga, and In doping on ZnO nanorod arrays grown via citrate-assisted hydrothermal technique for highly efficient and fast scintillator screens

To be used as efficient alpha particle scintillator in the fields of nuclear security, nuclear nonproliferation and high-energy physics, scintillator screens must have high light output and fast decay properties. While there has been a great deal of progress in scintillation efficiency, achieving fast decay time properties are still a challenge. In this work, the near band edge (NBE) UV luminescence and alpha particle induced scintillation properties of vertically aligned densely packed ZnO nanorods (NRs) doped with Al, Ga, and In have been thoroughly investigated. The high crystalline hexagonal wurtzite structure with a strong orientation through the c -axis plane (002) and aspect ratios in the range 13–22 have been observed for all ZnO NRs. Electron paramagnetic resonance (EPR) analysis exhibited paramagnetic signals at g ≈ 1.96 for all ZnO NRs. A cost effective green hydrothermal synthesis technique was employed to grow well-aligned NRs. Using citrate as an additive acting as a strong reducing agent in the solution during the crystal growth, defects on the surface are significantly suppressed, thereby enhancing the NBE UV emission. Significantly higher NBE UV emission was observed from the top surface of ZnO NRs in cathodoluminescence (CL) microscopy. Results show that citrate assisted donor doping of ZnO NRs not only reduces the defect emission and NBE self-absorption, but also induces fast decay time (~ 600–700 ps), which makes ZnO NRs a good candidate for fast alpha particle scintillator screens used in associated particle imaging for time and direction tagging of individual neutrons generated in D–T and D–D neutron generators.

36 MATERIALS SCIENCE↗

Comparative Thermal Performance of Downdraft and Updraft Forced Convection in a Representative 3x3 PWR Fuel Assembly

A plethora of theoretical, numerical, and experimental investigations have relied on updraft forced convection of operating fuel assemblies for light water-cooled fuel assemblies. The inertial scales of turbulence in updraft flow through PWR fuel assemblies are primarily influenced by upstream mixing patterns within the lower plenum and consequent acceleration of flow through the lower core and support plates into the bottom nozzles. In secondary heat transfer applications such as steam generation, recuperation and economization, downdraft flow is utilized to retrieve maximal sensible heat from the primary coolant. Sub-channel volumes aligned vertically could also benefit from force of gravity in developing turbulent flows. A large reduction in pumping power, associated cost of operation and maintenance, and improved balance of plant is suggested to be possible through downdraft forced convection in PWR-type reactors. This article explores the impact of downdraft forced convection within the well-studied 3x3 sub-channel within a range of 20 hydraulic diameters across a representative intermediate flow mixing grid. A range of inflow Reynolds number from 10,000 to 60,000 is simulated over a range of equivalent heat loads of 20% to 100% spanning 20 hydraulic diameters. The fuel rods are represented in true geometric detail, and a constant-value heat profile is assumed for the investigation. At each inflow condition, the turbulence intensity, peak velocity, local heat transfer coefficient, peak wall heat flux, and peak wall temperature are collected across the sub-channel and compared with an updraft configuration evaluated at the same conditions.

Rao, Vivek↗

Physics Considerations for a Harp System Design at the Second Target Station of the Spallation Neutron Source

A harp system is being developed for monitoring proton beam profile direct upstream of the proton beam window at the Second Target Station of the Spallation Neutron Source, Oak Ridge National Laboratory. It consists of two sensor planes which have arrays of thin conducting wires aligned vertically and horizontally, respectively. It monitors beam profiles in two transverse directions to the beam axis by measuring the net-charge depositions in the sensor wires, which are caused by ejection of secondary electrons and delta rays driven by electromagnetic interactions with high energy protons. The net charge deposition in a sensing wire linearly correlates with the number of incident protons on it. This correlation is perturbed when the wire interacts with secondary electrons and delta rays originating from beam matter interactions in neighboring wires, PBW and residual gases. In this paper, we analyze the physical phenomena that affects the measurement uncertainties of the harp using particle transport simulations.

Lee, Yong Joong [ORNL] (ORCID:0000000298381723)↗

5.1.6 Demo #6: NanoStitch (NAWAStitch) Multifunctional Composites Trade Validation

The overall objective of the NanoStitch Multifunctional Composites Trade Validation Demonstration project was to determine the value proposition of adding NanoStitch to rapid-cure composite systems for structures used in the expanding sector of advanced air mobility (AAM) and specifically electric vertical take-off and landing (eVTOL) aircraft. The expected value proposition was stronger composite parts, with new multifunctional attributes, that are lower cost to fabricate and maintain. NanoStitch is a new composite innovation where a contiguous vertically aligned carbon nanotube (VACNT) forest is located between each ply of a laminate composite resulting in improved mechanical properties as well as other multifunctional properties such as enhanced thermal and electrical conductivity. NanoStitch was originally distributed by N12, later acquired by NAWA Technologies, now called NAWAStitch, and henceforth referred to in this document as NAWAStitch. Two significant evaluations were framed to help meet the overall objective. First, was Task 1 to evaluate the effects that adding NAWAStitch to a rapid cure material system would have on the mechanical and processing properties of the material. Second, was Task 2 to evaluate the workability of adding NAWAStitch to practical flight demonstration articles. From previous research, it was already known that the application of NAWAStitch to a composite structure can enhance the mechanical properties of that structure. However, this project will help the engineering community understand those benefits and the basic structural strength values to apply when incorporating NAWAStitch material into composite structure that utilizes a rapid-cure resin system, which is novel. Testing showed that by adding NAWAStitch to the prepreg, most material properties were improved because the VACNTs strengthened the resin to fiber interface, and the interface itself, between plies. For example compression strength improved by more than 20%, and erosion resistance by more than 50%. The UDRI team identified two flight demonstration articles through discussions with Aurora Flight Sciences (Aurora) and reviewing literature on air mobility and the eVTOL market. The demonstration articles were a thin skin honeycomb panel and a section from an eVTOL propeller blade. The manufacturing and testing trials of the demonstration articles were as follows: • NAWAStitch added no manufacturing complexity or detriment to the article physical qualities, while at the same time added multifunctional properties such as enhanced rain erosion and electrothermal de-icing besides enhanced mechanical properties • VACNTs did not increase or hurt the mechanical properties of the interface between honeycomb core materials and the thin skin face sheet • Demonstrated successful de-icing function in an eVTOL propeller meeting real-world specifications in uniformity and endurance • Multifunctional eVTOL propeller cost analysis showed a cost savings of at least 67 % for a single propeller blade with multifunctional de-icing capability and improved mechanical properties which equates to a potential savings of $10,116 per eVTOL aircraft with six three-bladed propellers Overall, the results of this project can provide additional tools for the composite industry to optimize energy efficiency through faster and stronger composite parts that are lower cost to fabricate and maintain. Additionally, the results of this effort can help US industry like NAWA America set the stage for rapid growth and establishment of a manufacturing facility in Ohio. The project has given NAWA America the basic understanding of how the addition of VACNTs to a composite structure can affect the mechanical properties and hence point them to potential commercial applications. The project has also provided Teijin Carbon US with another potential material application for their rapid cure materials that are manufactured at the Renegade facility in Miamisburg, OH.

36 MATERIALS SCIENCE↗

The Polar Vortex and Extreme Weather: The Beast from the East in Winter 2018

Public attention has recently focused on high-impact extreme weather events in midlatitudes that originate in the sub-Arctic. We investigate movements of the stratospheric polar vortex (SPV) and related changes in lower atmospheric circulation during the February-March 2018 “Beast from the East” cold winter event that dramatically affected much of Europe and north-central North America. This study demonstrates that the movement of the SPV is a key linkage in late winter subarctic and northern midlatitude extreme weather events. February–March 2018 saw two types of subarctic-midlatitude weather connections. In the first type, the SPV was displaced from the pole to lower latitudes over North America in February and then was found over northern Siberia in March. Mid-February and mid-March are examples of persistent near vertically aligned geopotential height structures of the atmospheric circulation. These structures over North America and Eurasia advected cold Arctic air southward. The second type of cold surface event was associated with a weak regional SPV and a sudden stratospheric warming event over Europe during the second half of February. These late winter linkage events that arise through dynamic instabilities of the SPV are more common in the last decade, but the potential role of enhanced Arctic amplification is uncertain.

54 ENVIRONMENTAL SCIENCES↗

Comparative Performance of Gaussian Plume and Backward Lagrangian Stochastic Models for Near-Field Methane Emission Estimation Using a Single Controlled Release Experiment

Methane (CH 4 ) is a major component of natural gas and a potent greenhouse gas. Increasing atmospheric methane concentrations are attributed to emissive anthropogenic activities by an average of 13 ppb per yr since 2020 and are linked to a changing global climate. Mitigating CH 4 emissions from oil and gas production sites has recently become a target to reduce overall greenhouse gas emissions; however, monitoring the efficacy of mitigation strategies depends on accurate quantification of CH 4 emissions at the facility-level. Near-field quantification of methane (CH 4 ) emissions from oil and gas (O&G) facilities remains challenging due to the effects of atmospheric variability and sensor configuration on atmospheric dispersion models. This study evaluates the performance of two atmospheric dispersion models, the Gaussian plume (GP) and backward Lagrangian stochastic (bLS), by comparing calculated CH 4 emissions to controlled single-point emissions between 0.4 and 5.2 kg CH 4 h −1 . Emissions were calculated by both models using 121 individual sets of measurements comprising five-minute averaged downwind methane mixing ratios and matching meteorological data. The comparison shows that the bLS approach achieved a higher proportion of emission estimates within a factor of two (FAC2) of the known emission rates compared to the GP approach. The emissions calculated by the bLS model also had a lower multiplicative error and reduced bias relative to GP. Other error-based metrics further confirmed the bLS model performed better, as it yielded lower RMSE and MAE than GP. Statistical analysis of the emission data shows that the lateral and vertical alignment of the source and the sensor plays a critical role in emission estimations, as measurements made closer to the plume centerline and at a distance between 40 and 80 m downwind yielded the best FAC2 agreement. High wind meander degraded the ability of both approaches to generate representative emissions, particularly with the GP approach, as it violates the modeling approach’s assumption of steady-state emissions. Data suggest emissions calculated by the bLS model are comprehensively in better agreement, but the computational demands of the modeling approach and integration into fenceline systems limit real-time applicability. While these results provide insight into model performance under controlled near-field conditions, their applicability to more complex or heterogeneous oil and gas production environments (e.g., the regions Marcellus or Unita Basins) remains limited and uncertain.

gaussian plume↗

Assessing Strain Rate Sensitivity of Nanotwinned Al–Zr Alloys through Nanoindentation

Nanotwinned metals have exhibited many enhanced physical and mechanical properties. Twin boundaries have recently been introduced into sputtered Al alloys in spite of their high stacking fault energy. These twinned Al alloys possess unique microstructures composed of vertically aligned Σ3(112) incoherent twin boundaries (ITBs) and have demonstrated remarkable mechanical strengths and thermal stability. However, their strain rate sensitivity has not been fully assessed. A modified nanoindentation method has been employed here to accurately determine the strain rate sensitivity of nanotwinned Al–Zr alloys. The hardness of these alloys reaches 4.2 GPa while simultaneously exhibiting an improved strain rate sensitivity. The nanotwinned Al–Zr alloys have shown grain size-dependent strain rate sensitivity, consistent with previous findings in the literature. This work provides insight into a previously unstudied aspect of nanotwinned Al alloys.

36 MATERIALS SCIENCE↗

ZnO-Au Hybrid Metamaterial Thin Films with Tunable Optical Properties

ZnO-Au nanocomposite thin films have been previously reported as hybrid metamaterials with unique optical properties such as plasmonic resonance properties and hyperbolic behaviors. In this study, Au composition in the ZnO-Au nanocomposites has been effectively tuned by target composition variation and thus resulted in microstructure and optical property tuning. Specifically, all the ZnO-Au nanocomposite thin films grown through the pulsed laser deposition (PLD) method show obvious vertically aligned nanocomposite (VAN) structure with the Au nanopillars embedded in the ZnO matrix. Moreover, the average diameter of Au nanopillars increases as Au concentration increases, which also leads to the redshifts in the surface plasmon resonance (SPR) wavelength and changes in the hyperbolic behaviors of the films. As a whole, this work discusses how strain-driven tuning of optical properties and microstructure resulted through a novel Au concentration variation approach which has not been previously attempted in the ZnO-Au thin film system. These highly ordered films present great promise in the areas of sensing, waveguides, and nanophotonics to name a few.

Bhatt, Nirali A.↗