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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 829 records · Page 46
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Tensor Network Space-Time Spectral Collocation Method for Time-Dependent Convection-Diffusion-Reaction Equations

Emerging tensor network techniques for solutions of partial differential equations (PDEs), known for their ability to break the curse of dimensionality, deliver new mathematical methods for ultra-fast numerical solutions of high-dimensional problems. Here, we introduce a Tensor Train (TT) Chebyshev spectral collocation method, in both space and time, for the solution of the time-dependent convection-diffusion-reaction (CDR) equation with inhomogeneous boundary conditions, in Cartesian geometry. Previous methods for numerical solution of time-dependent PDEs often used finite difference for time, and a spectral scheme for the spatial dimensions, which led to a slow linear convergence. Spectral collocation space-time methods show exponential convergence; however, for realistic problems they need to solve large four-dimensional systems. We overcome this difficulty by using a TT approach, as its complexity only grows linearly with the number of dimensions. We show that our TT space-time Chebyshev spectral collocation method converges exponentially, when the solution of the CDR is smooth, and demonstrate that it leads to a very high compression of linear operators from terabytes to kilobytes in TT-format, and a speedup of tens of thousands of times when compared to a full-grid space-time spectral method. These advantages allow us to obtain the solutions at much higher resolutions.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2023

Fast and Non‐equilibrium Uptake of Hydrogen by Pd Icosahedral Nanocrystals

Abstract We report for the first time that Pd nanocrystals can absorb H via a “single‐phase pathway” when particles with a proper combination of shape and size are used. Specifically, when Pd icosahedral nanocrystals of 7‐ and 12‐nm in size are exposed to H atoms, the H‐saturated twin boundaries can divide each particle into 20 smaller single‐crystal units in which the formation of phase boundaries is no longer favored. As such, absorption of H atoms is dominated by the single‐phase pathway and one can readily obtain PdH x with anyx in the range of 0–0.7. When switched to Pd octahedral nanocrystals, the single‐phase pathway is only observed for particles of 7 nm in size. We also establish that the H‐absorption kinetics will be accelerated if there is a tensile strain in the nanocrystals due to the increase in lattice spacing. Besides the unique H‐absorption behaviors, the PdH x ( x =0–0.7) icosahedral nanocrystals show remarkable thermal and catalytic stability toward the formic acid oxidation due tothe decrease in chemical potential for H atoms in a Pd lattice under tensile strain.

Zhou, Siyu↗
DOE OSTI2023

Fast and Non‐equilibrium Uptake of Hydrogen by Pd Icosahedral Nanocrystals

Abstract We report for the first time that Pd nanocrystals can absorb H via a “single‐phase pathway” when particles with a proper combination of shape and size are used. Specifically, when Pd icosahedral nanocrystals of 7‐ and 12‐nm in size are exposed to H atoms, the H‐saturated twin boundaries can divide each particle into 20 smaller single‐crystal units in which the formation of phase boundaries is no longer favored. As such, absorption of H atoms is dominated by the single‐phase pathway and one can readily obtain PdH x with anyx in the range of 0–0.7. When switched to Pd octahedral nanocrystals, the single‐phase pathway is only observed for particles of 7 nm in size. We also establish that the H‐absorption kinetics will be accelerated if there is a tensile strain in the nanocrystals due to the increase in lattice spacing. Besides the unique H‐absorption behaviors, the PdH x (x=0–0.7) icosahedral nanocrystals show remarkable thermal and catalytic stability toward the formic acid oxidation due tothe decrease in chemical potential for H atoms in a Pd lattice under tensile strain.

Chemistry↗
DOE OSTI2021

Pigment modulation in response to irradiance intensity in the fast-growing alga Picochlorum celeri

Picochlorum celeri has among the fastest photoautotrophic growth rates (~2 h doubling time in optimal conditions) reported to date for a marine alga. This study comprehensively analyzes the levels of Picochlorum celeri photosynthetic pigments, which can reach up to ~13% of the total particulate organic carbon (POC) under light-limiting conditions. The main Picochlorum celeri pigments identified include: chlorophyll a, chlorophyll b, lutein, β-carotene, canthaxanthin, violaxanthin, neoxanthin, zeaxanthin and antheraxanthin. The ketocarotenoid canthaxanthin can accumulate up to 120 mg L -1 in Picochlorum celeri liquid culture; ~12% of it was found in an extracellular polysaccharide matrix. Using a solar-simulating automated photobioreactor, we monitor the photoacclimation of cultures maintained in unshaded conditions (<0.5 μg mL -1 of total chlorophyll) through transitions from high irradiance (1000 μmoles photosynthetically active radiation (PAR) m -2 s -1 ) to low irradiance (60 μmoles PAR m -2 s -1 ), and conversely from low to high irradiance. Canthaxanthin and zeaxanthin accumulation are among the most rapid modulation responses when cultures are shifted from low to high irradiance. The violaxanthin, antherazanthin, and zeaxanthin (VAZ) pool is ~3-fold higher in high-light cultures, suggesting that the VAZ cycle combined with a dramatic reduction in chlorophyll levels are among the major mechanisms used in Picochlorum celeri to efficiently acclimate to high-irradiance levels. Responsive pigment modulation was also observed in denser cultures (~0.65 g L –1 ) grown under a diel cycle (pond-mimicking conditions). Furthermore, this research provides unique insights into the dynamics of pigment modulation and photoacclimation in response to changing irradiance in a biotechnologically promising alga and will inform future pigment engineering strategies to further improve light capture and biomass accumulation.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2020

Fast Data Processing for Hyperspectral Sensors on Small Platforms

Hyperspectral imaging is a very promising technology for nuclear proliferation detection. However, due to size and weight restrictions, small hyperspectral platforms such as satellites and small drones lack the on-board computing resources for accurate, real-time analysis of the enormous flow of data that a continuously operating hyperspectral sensor generates. This severely limits satellite systems, which can collect far more data than what they can telemeter, and hinders the ability of all platforms to adapt their missions on the fly in response to observations. This program addresses the hyperspectral data processing challenge through development of new, fast and accurate algorithms that produce data products in real time. The algorithms circumvent the major computational bottlenecks in existing processing streams, and would be incorporated in lightweight, power-efficient single-board computer systems. The toolkit of fast algorithms will be immediately useful in current and future hyperspectral systems being built by the Government and by private industry, including drone-based systems and satellite constellations that acquire timely global imagery.

45 MILITARY TECHNOLOGY, WEAPONRY, AND NATIONAL DEF↗
DOE OSTI2025

Multifrequency-resolved Hanbury Brown–Twiss effect

The Hanbury Brown–Twiss (HBT) effect holds a pivotal place in intensity interferometry and gave a seminal contribution to the development of quantum optics. To observe such an effect, both good spectral and timing resolutions are necessary. Most often, the HBT effect is observed for a single frequency at a time due to its limitations in dealing with multifrequencies simultaneously, halting and limiting some applications. Here, we report a fast and data-driven spectrometer built with a one-dimensional array of single-photon-sensitive avalanche diodes. We report observing the HBT effect for multiple frequencies at the same time. In particular, we observe the HBT effect for up to five lines of the Ne spectrum, but this can be improved upon to include more lines. Our work represents a major step in making spectral binning and multifrequency HBT more widely available. The technology we present can benefit both classical and quantum applications.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2022

Federated Architecture for Secure and Transactive Distributed Energy Resource Management Solutions (FAST-DERMS)

This document provides system-level specifications for a federated architecture for secure and transactive distributed energy resource management solutions (FAST-DERMS), presents a solution, and describes operational concepts for the proposed solution. FAST-DERMS enables the provision of reliable, resilient, and secure transmission and distribution (T&D) grid services through the scalable aggregation and near-real-time management of utility-scale and small-scale distributed energy resources (DERs). We first present the principles and objectives of FAST-DERMS. Then, after discussing important system concepts, we present the specifications for FAST-DERMS and a solution that employs a distributed and federated control methodology in which the DERs connected to a single point of common coupling with the rest of the system, such as individual substations, are optimized coordinately to provide system-level grid services. FAST-DERMS aims to aggregate and coordinate the operations of DERs to support T&D grid operations. The key optimization and control component of this FAST-DERMS reference implementation is a flexible resource scheduler (FRS) that aggregates the DERs within a substation service area. These FRSs operate at the substation level and perform constrained economic dispatch of DERs, either directly or through a transactive market or aggregator, as shown in Figure ES-1. An FRS Coordinator at the distribution system operator (DSO) level aggregates distribution substations operated by FRSs and interfaces with the transmission system operator (TSO) to provide transmission services. FAST-DERMS also allows for the integration of the FRS Coordinator with an existing distribution utility management system that could be employed by the DSO to enhance distribution grid operations.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2021

Printed graphene oxide-based membranes for gas separation and carbon capture

Graphene oxide (GO)-based separation membranes have demonstrated the great potential to separate molecules and ions by the interlayer spacing with tunable nano-sized channels. The scalable fabrication of GO-based gas separation membranes, however, remains challenging, although a few preparation approaches have been reported. Here in this work, we present for the first time that the co-solvent ink-jet printing, as a fast and scalable method, can be utilized for scalable GO-based gas separation membrane preparation. Large-area (>100 cm 2 ), ultrathin, and high-quality GO membrane was successfully deposited on commercial polysulfone (PS) support, and characterized by scanning electron microscopy, X-ray photoelectron spectroscopy, Fourier transform infrared spectroscopy, and X-ray diffraction, et al., Selective hydrogen (H 2 ) and helium (He) transport over carbon dioxide (CO 2 ) and nitrogen (N 2 ) was demonstrated for the printed GO membrane. To further explore the separation potential of the printed GO-based gas membrane, additives for facilitated molecular transport were incorporated during the membrane printing process. By inserting CO 2 -philic agents into the printed GO membrane, highly efficient separation of CO 2 from N 2 was achieved with CO 2 /N 2 selectivity of 70 and CO 2 permeance as high as 2,500 GPU. The strategy proposed here may provide guidance for large-scale GO-based gas separation membrane production and a versatile approach for applying other functional 2-dimensional materials towards the membrane separation application.

42 ENGINEERING↗
DOE OSTI2024

Coal-derived electrically conductive asphalt pavements for snow/ice melting: From laboratory to field

Timely removal of ice and snow from roads is critical to safe, fast, and uninterrupted transportation networks in cold regions. Constructing electrically conductive asphalt pavements to melt the ice and snow on the roads through resistive eating is an emerging alternative technology to traditional snow/ice removal approaches such as utilizing snowplow machines and deicing chemicals. Carbon-based fibers and fillers including carbon fiber and graphite have been widely reported to make electrically conductive hot mix asphalt mixtures for pavement snow/ice-melting applications. This study aimed to develop and demonstrate a novel type of electrically conductive asphalt pavements for snow/ice-melting, which utilizes electrically conductive cold mix asphalt (CMA) mixtures incorporating coal-derived carbon-based coke aggregate as resistive heating elements. Both laboratory experiments and field tests were conducted to investigate the electrical, mechanical, and thermal properties of such electrically conductive asphalt mixtures and pavements. The laboratory experiment results indicated that the electrically conductive CMA mixtures incorporating coke aggregate had sufficiently high electrical conductivity and satisfactory mechanical performance and the pavement prototype slab utilizing a thin layer of such CMA mixtures could successfully raise the pavement surface temperatures to 8.3–11.7 °C rom a low temperature of –5 °C with an input power density of 473 W/m 2 . The field test results showed that the full-scale coal-derived electrically conductive asphalt pavements were able to increase the pavement surface temperatures when electricity was applied, but the magnitude of temperature increase was highly dependent on the power density. Furthermore, it is promising to use coke aggregate to construct coal-derived electrically conductive asphalt pavements for snow/ice melting.

36 MATERIALS SCIENCE↗
DOE OSTI2026

FIB-ToF-SIMS characterization of irradiated U-10Zr

Post-irradiation examination (PIE) is critical for the performance assessment and qualification of nuclear fuels. Secondary ion mass spectrometry (SIMS) is a powerful materials characterization technique that allows for elemental and isotopic mapping with a depth resolution greater than EDS and EPMA. However, it has not yet been applied to PIE of metallic nuclear fuel. Here, in this work, we characterize an fast neutron spectrum irradiated U-10Zr fuel sample using a time-of-flight SIMS (ToF-SIMS) system connected to a FIB/SEM system, which allows for flexible sample analysis compared to a dedicated ToF-SIMS instrument. Analysis of the resulting hyperspectral micrograph data was aided by the development of an unsupervised machine learning (ML) algorithm that iterates on existing methods to segment the 3D micrographic datasets based on the similarity of mass spectra. The results showed that the FIB-ToF-SIMS instrument was potentially capable of spatially resolving closed fission gas bubbles in 3D by continued ion sputtering of the analyzed volume. Additionally, the ML algorithm proved useful in revealing the chemical segregation of light fission products (those with an atomic mass between approximately 85–105 amu, such as ruthenium and rhodium) plus matrix zirconium, heavy fission products (those with an atomic mass between approximately 135–150 amu, such as the lanthanides) and uranium. Future studies are planned to conduct FIB-ToF-SIMS analysis on more irradiated U-Zr samples to study the constituent redistribution.

11 - NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2022

Public electric vehicle charging station utilization in the United States

The utilization of electric vehicle (EV) charging equipment is a key driver of charging station economics, but current trends and factors related to the utilization of public charging infrastructure in the United States are not well understood. This study analyzes EV charging data from 3,705 nationwide public Level 2 (L2) and direct current fast charging (DCFC) stations over 2.5 years (2019-2022), observing utilization patterns over time. Regression analysis is used to assess the relationships between station utilization and several contextual and environmental factors. We conclude that local EV adoption is a strong indicator of utilization; L2 station utilization decreases with the size of the local charging network, while DCFC stations are less affected; and increased charging power has a greater effect on utilization for DCFC stations than L2. This study fills a critical research gap by reporting updated public charging station utilization statistics and analysis for the U.S. market.

33 ADVANCED PROPULSION SYSTEMS↗
DOE OSTI2021

Dynamics in Flexible Pillar[ n ]arenes Probed by Solid-State NMR

Pillar[n]arenes are supramolecular assemblies that can perform a range of technologically important molecular separations which are enabled by their molecular flexibility. Here, we probe dynamical behavior by performing a range of variable-temperature solid-state NMR experiments on microcrystalline perethylated pillar[n]arene (n = 5, 6) and the corresponding three pillar[6]arene xylene adducts in the 100–350 K range. This was achieved either by measuring site-selective motional averaged 13 C 1 H heteronuclear dipolar couplings and subsequently accessing order parameters or by determining 1 H and 13 C spin–lattice relaxation times and extracting correlation times based on dipolar and/or chemical shift anisotropy relaxation mechanisms. We demonstrate fast motional regimes at room temperature and highlight a significant difference in dynamics between the core of the pillar[n]arenes, the protruding flexible ethoxy groups, and the adsorbed xylene guest. Additionally, unexpected and sizable 13 C 1 H heteronuclear dipolar couplings for a quaternary carbon were observed for p-xylene adsorbed in pillar[6]arene only, indicating a strong host–guest interaction and establishing the p-xylene location inside the host, confirming structural refinements.

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

An exponential build-up in seismic energy suggests a months-long nucleation of slow slip in Cascadia

Slow slip events result from the spontaneous weakening of the subduction megathrust and bear strong resemblance to earthquakes, only slower. This resemblance allows us to study fundamental aspects of nucleation that remain elusive for classic, fast earthquakes. We rely on machine learning algorithms to infer slow slip timing from statistics of seismic waveforms. We find that patterns in seismic power follow the 14-month slow slip cycle in Cascadia, arguing in favor of the predictability of slow slip rupture. Here, we show that seismic power exponentially increases as the slowly slipping portion of the subduction zone approaches failure, a behavior that shares a striking similarity with the increase in acoustic power observed prior to laboratory slow slip events. Our results suggest that the nucleation phase of Cascadia slow slip events may last from several weeks up to several months.

58 GEOSCIENCES↗
DOE OSTI2022

A silicon singlet–triplet qubit driven by spin-valley coupling

Spin–orbit effects, inherent to electrons confined in quantum dots at a silicon heterointerface, provide a means to control electron spin qubits without the added complexity of on-chip, nanofabricated micromagnets or nearby coplanar striplines. Here, we demonstrate a singlet–triplet qubit operating mode that can drive qubit evolution at frequencies in excess of 200 MHz. This approach offers a means to electrically turn on and off fast control, while providing high logic gate orthogonality and long qubit dephasing times. We utilize this operational mode for dynamical decoupling experiments to probe the charge noise power spectrum in a silicon metal-oxide-semiconductor double quantum dot. In addition, we assess qubit frequency drift over longer timescales to capture low-frequency noise. We present the charge noise power spectral density up to 3 MHz, which exhibits a 1/ f α dependence consistent with α ~ 0.7, over 9 orders of magnitude in noise frequency.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2023

Modeling the aqueous interface of amorphous TiO 2 using deep potential molecular dynamics

Amorphous titanium dioxide (a-TiO 2 ) is widely used as a coating material in applications such as electrochemistry and self-cleaning surfaces where its interface with water has a central role. However, little is known about the structures of the a-TiO 2 surface and aqueous interface, particularly at the microscopic level. In this work, we construct a model of the a-TiO 2 surface via a cut-melt-and-quench procedure based on molecular dynamics simulations with deep neural network potentials (DPs) trained on density functional theory data. After interfacing the a-TiO 2 surface with water, we investigate the structure and dynamics of the resulting system using a combination of DP-based molecular dynamics (DPMD) and ab initio molecular dynamics (AIMD) simulations. Both AIMD and DPMD simulations reveal that the distribution of water on the a-TiO 2 surface lacks distinct layers normally found at the aqueous interface of crystalline TiO 2 , leading to an ~10 times faster diffusion of water at the interface. Bridging hydroxyls (Ti 2 –O b H) resulting from water dissociation decay several times more slowly than terminal hydroxyls (Ti–O w H) due to fast Ti–O w H 2 → Ti–O w H proton exchange events. These results provide a basis for a detailed understanding of the properties of a-TiO 2 in electrochemical environments. Moreover, the procedure of generating the a-TiO 2 -interface employed here is generally applicable to studying the aqueous interfaces of amorphous metal oxides.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2024

Chain dynamics of alternating polymers P(C n EG 4 )

Alternating or sequence defined polymers attract the attention of an increasing number of researchers recently. Due to their different blocks, they are very customizable and material properties can be tuned. In this publication, we present dynamical studies with focus on polymer dynamics, investigated by rheology and fast field cycling (FFC) NMR. The molecular weight dependencies of the relaxation time and zero-shear viscosity could hint to entanglement effects; however, the spectral shape of the viscoelastic data resembles the polymer dynamics of unentangled melts. Furthermore, taking both techniques into account, i.e. rheology and FFC NMR leads to the conclusion that the relaxation spectra of the alternating polymer are similar to those of linear polymers.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Investigating the role of edge neutrals in exciting tearing mode activity and achieving flat temperature profiles in LTX-β

Abstract We present observations, numerical simulations, and analysis from experiments in the Lithium Tokamak Experiment-Beta (LTX- β ) in which the electron temperature profile ( T e ( r )) shifts from flat to peaked and a tearing mode is also destabilized when the average density ( n e ave ) exceeds ∼10 19 m −3 . Flat T e ( r ) is obtained routinely in LTX- β , with a lithium coated, low-recycling first wall, once the external fueling is stopped and density decays [Boyle et al 2023 Nucl. Fusion 63 056020]. In the present experiment, flat T e profiles can be sustained while maintaining constant n e ave below a line averaged density threshold ( n e ave th ) of ∼10 19 m −3 . Above n e ave th , T e ( r ) shifts from flat to peaked and a tearing mode is destabilized. Due to low recycling, the achieved n e ave can be controlled precisely by external fueling and hence, a certain threshold of the edge neutral inventory from the external fueling is experimentally manifested through n e ave th . The goal of the present work is to investigate the role of edge neutrals in determining T e ( r ) and MHD stability in the unique low-recycling regime of LTX- β . Our hypothesis is that the peaking of T e ( r ) beyond n e ave th is due ultimately to the edge cooling by the cold neutrals beyond a critical fueling flux. At lower fueling flux, flat T e ( r ) results in broader pressure profile and lower resistivity, which in turn stabilizes the tearing mode. This hypothesis is supported by edge neutral density estimation by DEGAS 2 code. Mode analysis by singular value decomposition confirms the tearing mode structure to be m / n = 2/1 ( m and n being the poloidal and toroidal mode numbers). Linear tearing stability analysis with M3D-C1 predicts that plasmas with n e ave > 10 19 are highly susceptible to a n = 1 tearing mode. ORBIT simulations, however, confirmed that the tearing modes do not contribute to the loss of fast ions from neutral beam injection. This study shows for the first time that the neutral inventory at the edge could be one of the deciding factors for the achievability of the unique operation regime of flat T e ( r ) and the excitation of tearing activity that could be disruptive for the plasmas.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2022

Comparison of measurement and simulation of ATLAS cavern radiation background

Sixteen Medipix2 pixel detector based (MPX) devices were operated at various positions within the ATLAS detector and cavern continuously from early 2008 up to 2013. In addition to photons, each MPX detector is capable to detect charged particles, and neutrons as it is covered with a mask of converter materials dividing its area into regions sensitive to thermal or fast neutrons. The MPX detector network was effectively used for real-time measurements of the spectral characteristics and composition of complex radiation fields in ATLAS. This article reports comparison of the results of measurements performed with MPX detectors during the LHC operation period in 2010 and 2011 with Monte Carlo simulations results from the FLUGG and GCALOR codes. For the purpose of this comparison, the MPX detectors were operated in tracking mode with low threshold (8–10 keV) allowing one to distinguish among particle categories based on the recognition of track patterns left by the particles in the MPX sensitive layer. The comparison of measurements with simulations shows that the agreement between measured and simulated data is satisfactory in most cases within a factor of two.

47 OTHER INSTRUMENTATION↗