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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 235 records · Page 13
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Liquid helium fluid dynamics studies. Final Technical Report

Future high energy physics accelerators depend on a number of advanced technologies to open the many doors of scientific discovery. Among these advanced technologies, superconducting magnets and superconducting radio frequency (SRF) cavities are the backbone of the accelerator and detector systems. But all these low temperature systems depend critically on successful and reliable operation of their supporting technologies, among which the liquid helium cooling system is of the utmost importance. To improve the quality of these systems both in terms of efficiency and reliability, a robust helium cryogenics research and development (R&D) effort is required. The proposed research to be conducted by the FSU cryogenics group aims to produce fundamental knowledge that meets this R&D need. The projects that we have completed over the past grant period at Florida State University consist of experimental research on liquid helium fluid dynamics and heat transfer problems relevant to the development of future superconducting particle physics accelerators. Liquid helium is the coolant used in all such facilities and in many of these facilities He II (the low temperature phase of liquid helium also known as superfluid helium) is preferred due to its outstanding heat transfer characteristics. The work consists of two main experimental studies that probe both fundamental as well as practical aspects of liquid helium cooling. The first is a broad and fundamental study of the heat and mass transfer processes that can occur during a sudden catastrophic loss of vacuum (SCLV) incident in a superconducting accelerator. SCLV refers to the remote but extremely critical accident scenario where atmospheric pressure air is allowed to flood into the insulating vacuum system and impinge on the liquid helium cooled surfaces in the accelerator. Safe performance and recovery from such accidents is essential to the reliable operation of superconducting accelerators. The dynamics of this process is quite complex and so our approach is to conduct a series of well-orchestrated experiments that probe the various physical phenomena that can occur during an SCLV event. The experiments are coupled with analytic and numerical analysis in an effort to develop a general understanding of the process and to assist with future accelerator design and development. The second activity is directed toward fundamental understanding of heat and mass transfer in He II, which is essential to the design of superconducting magnets and radio frequency cavities in accelerators. The work consists of flow visualization of the dynamics of He II using laser assisted techniques. Two complementary techniques are used to study the fundamentals of the turbulent state. The first technique uses neutrally buoyant solid hydrogen particles to probe the flow fields of the superfluid and normal fluid components. The other technique uses laser excited He2* molecules as tracers of the normal fluid motion within the He II. The activities also included an effort to use visualization techniques to locate transient hot spots in radio frequency superconducting cavities. Such work provides valuable information about the heat transfer process in He II and its impact on the performance of superconducting devices. The research effort at Florida State University is not directly in support of a specific high energy physics experiment or facility. Rather, the work is general and coordinated with HEP accelerator laboratories to provide valuable insight that can assist with future accelerator development.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2021

Challenges and opportunities in verification and validation of low temperature plasma simulations and experiments

This paper describes the verification and validation (V&V) framework developed for the stochastic Particle-in-Cell, Direct Simulation Monte Carlo code Aleph. An ideal framework for V&V from the viewpoint of the authors is described where a physics problem is defined, and relevant physics models and parameters to the defined problem are assessed and captured in a Phenomena Identification and Ranking Table (PIRT). Furthermore, numerous V&V examples guided by the PIRT for a simple gas discharge are shown to demonstrate the V&V process applied to a real-world simulation tool with the overall goal to demonstrably increase the confidence in the results for the simulation tool and its predictive capability. Although many examples are provided here to demonstrate elements of the framework, the primary goal of this work is to introduce this framework and not to provide a fully complete implementation, which would be a much longer document. Comparisons and contrasts are made to more usual approaches to V&V, and techniques new to the low-temperature plasma community are introduced. Specific challenges relating to the sufficiency of available data (e.g., cross sections), the limits of ad hoc validation approaches, the additional difficulty of utilizing a stochastic simulation tool, and the extreme cost of formal validation are discussed.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2023

Field-induced magnetic phases in a qubit Penrose quasicrystal

Unveiling the fundamental dynamics of naturally or artificially formed magnetic quasicrystals in the presence of an external magnetic field remains a difficult problem that may have implications for the design of information processing devices. By embedding a qubit magnetic Penrose quasicrystal into a quantum annealer, we were able to reproduce the formation of magnetic phases driven by specific physical parameter selections, allowing us to distinguish a wide range of frustrated magnetic configurations at the single-spin scale. In our experiments, we observe some spins dynamically activate, while others remain static, all within an average magnetization space defined by competing structural and magnetic degrees of freedom. Static spin structure factors reveal ferromagnetic and ferrimagnetic modulations that are compatible with a variety of spin textures. This research demonstrates that introducing structural aperiodicity in magnetic devices that exploit spin degeneracy in a single, richly intraconnected finite object can enable the engineering of quantum states in both the effective low-temperature and thermally excited regimes.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2020

Nanometal-Interconnected Carbon Conductors (NICCS) for Advanced Electric Machines (RIT Final Technical Report)

Recent advancements in carbon nanotube (CNT) research have enabled lightweight, conductive wires as a transformative technology. Metal-carbon nanotube (CNT) hybrid conductors aim to combine the high conductivity of traditional metals with the low mass and temperature coefficient of resistance (TCR) of carbon nanotubes. The high conductivity of copper makes it a promising candidate to combine with CNTs in a hybrid structure, but there is limited physical and electrical interaction between copper and CNTs. The use of an interfacial layer offers one method of improving the interconnection of a Cu-CNT hybrid conductor. Over the course of this grant, a joule heating-driven chemical vapor deposition (CVD) technique was developed to deposit nanometal seeds throughout a porous, low-density (0.12 g/cm 3 , ~10 tex or mg/m) CNT roving template. Modification of the applied current to the CNT roving allows for the tuning of depositions towards either hot-spot site-specificity or overall uniformity. The effects of temperature, pressure, precursor mass, and the interval of applied current were investigated, demonstrating nanometal depositions ranging from less than 5 % w/w to over 85 % w/w. The versatility of CVD allows for a wide variety of metals to be deposited including copper, titanium, nickel, silver, tungsten, palladium, platinum, ruthenium, rhodium, and iridium. One preferred demonstration involved using platinum depositions to improve the electrical properties of metal-seeded CNTs across all mass loadings studied. Moreover, when the metal-seeded CNT wires were electroplated with copper, densified, and annealed under hydrogen/argon; the result was a Cu-CNT hybrid conductor with the highest conductivities reported to date. The good interconnection of the metal and CNT portions results in a stable conductor. An electrical conductivity of 16-20 MS/m was achieved for multiple Cu-CNT hybrid conductors at 150 °C, which exceeds the program goal for conductivity of greater than 15 MS/m for a 1 m long CNT wire. Overall, the research outcomes from the project showed improvements in CNT wire fabrication from roll-to-roll CVD grown carbon nanotube wires using nanometal interconnects to bridge CNT-to-CNT junctions, thus mitigating network contact resistances. Advanced nanometal interconnected carbon conductors (NICCs) were developed as a means to achieve novel light-weight wiring appropriate for applications that require the conductivity of metallic (i.e., Cu, Al, etc.) wires at elevated temperatures. High conductivity, low TCR electrical conductors such as the nanometal interconnected Cu-CNT hybrids have numerous future applications towards high efficiency motors, generators, and transformers. Specifically, the advanced wires have the ability to operate at lower resistance during conditions for standard electric motors at 150 °C, which would improve the electrical efficiency while lowering energy needs.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Low Cost, High Volume, Carbon Fiber Precursor for Plasma Oxidation

Light weighting with carbon fiber is critical to improving the energy efficiency of wind turbines, airplanes, and automobiles, but the high cost of carbon fiber continues to limit market growth and applications. Half of this cost is in the raw materials. For the carbon fiber market to reach the next level of adoption, the cost of both the raw materials and conversion must be reduced. This project considered the combination of low-cost, textile-grade precursors combined with the increased efficiency of plasma oxidation to greatly reduce the cost of carbon fiber. The primary objective of this project was to make industrial-grade carbon fiber (550 ksi tensile strength, 35 Msi tensile modulus) from textile-grade PAN precursors, something that cannot be achieved with conventional oxidation and to date has not been achieved with any technology. To accomplish this, the project team iteratively optimized the process conditions in the plasma oxidation and carbonization stages to maximize the tensile properties of the resultant carbon fibers. This involved implementing experimental designs for both stages, whereby process conditions (e.g. temperature) were varied and correlated to fiber properties. Samples of oxidized PAN fibers (OPFs) were prepared using a small pilot-scale plasma oxidation oven at 4XTechnologies (4XT). The thermal, chemical, and physical properties of OPF samples were analyzed by the University of Tennessee (UTK) and Oak Ridge National Laboratory (ORNL). The OPF samples were then converted to carbon fiber by subsequent low- and high-temperature carbonization using a lab-scale furnace at ORNL. The resultant carbon fibers were tested for tensile strength also at ORNL, and the results were fed back into the experimental design. Of the hundreds of carbon fiber samples produced over the course of the project, the best sample had an average break strength of 479 ksi and modulus of 33 Msi. While the best tensile properties achieved fell short of the final project targets of 550 ksi for break strength and 35 Msi for modulus, the team demonstrated the potential to produce industrial-grade carbon fiber using textile-grade precursors. The best performing fiber samples had tensile properties that are 87% of the goal for tensile strength and 94% of the goal for tensile modulus. With additional optimization work, it is likely that the targets could be achieved, since only a fraction of the process parameter space was explored during this project. 4XT and its affiliate (4M) have already secured funding through private equity, and there is a CRADA (Cooperative Research and Development Agreement) project currently underway with the Carbon Fiber Technology Center (CFTF) at ORNL to continue this research. Additionally, while not an original goal of the project, the carbon fibers for most samples had diameters >8.5μm. This is considerably larger than commercially available carbon fiber products, which can impart unique properties to the composites (e.g. increased compressive strength) and decrease manufacturing costs even further. Moreover, these fibers were oxidized with plasma oxidation using residence times ranging <60mins, which would be considered fast for normal diameter fibers, but it is as much as 5x faster when factoring in the diameter of the fibers.

36 MATERIALS SCIENCE↗
DOE OSTI2020

High Thermoelectric Performance and Defect Energetics of Multipocketed Full Heusler Compounds

We report a first-principles density-functional study of electron-phonon interactions in and thermoelectric transport properties of the full Heusler compounds Sr 2 BiAu and Sr 2 SbAu. Our results show that ultrahigh intrinsic bulk thermoelectric performance across a wide range of temperatures is physically possible and point to the presence of multiply degenerate and highly dispersive carrier pockets as the key factor for achieving this. Sr 2 BiAu, which features ten energy-aligned low-effective-mass pockets (six along Γ-X and four at L), is predicted to deliver n-type zT=0.4-4.9 at T=100-700 K. Comparison with the previously investigated compound Ba 2 BiAu shows that the additional L pockets in Sr 2 BiAu significantly increase its low-temperature power factor to a maximum value of 12 mW m -1 K -2 near T=300 K. However, at high temperatures the power factor of Sr 2 BiAu drops below that of Ba 2 BiAu because the L states are heavier and subject to strong scattering by phonon deformation, as opposed to the lighter Γ-X states, which are limited by polar-optical scattering. Sr2SbAu is predicted to deliver a lower n-type zT=3.4 at T=750 K due to appreciable misalignment between the L and Γ-X carrier pockets, generally heavier scattering, and a slightly higher lattice thermal conductivity. Soft acoustic modes, which are responsible for the low lattice thermal conductivity, also increase the vibrational entropy and high-temperature stability of these Heusler compounds, suggesting that their experimental synthesis may be feasible. The dominant intrinsic defects are found to be Au vacancies, which drive the Fermi level towards the conduction band and work in favor of n-doping.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2025

Fermi surface origin of the low-temperature magnetoresistance anomaly

Magnetoresistance (MR) at a fixed field can demonstrate a non-monotonic temperature dependence—an anomaly—in many systems, including low-dimensional chalcogenides, spin- and charge-density-wave metals, and topological semimetals. These systems are often low-carrier-density compensated metals, and the physics are expected to be quasi-classical. Nevertheless, the MR anomaly also exists in the highly conductive metals Cr, Mo, and W for both linear and quadratic field dependence, with their non-saturation attributed to either open orbit or electron-hole compensation. We argue that quantum transport across sharp Fermi surface arcs, but not necessarily the full cyclotron orbit, governs this MR anomaly, thereby accounting for the profound effects of disorder. In Cr, an overlay exists between three temperature dependences: MR at a constant high field, linear MR at a low field, and Shubnikov-de Haas (SdH) oscillations of the smallest orbit. In Mo, the MR anomaly extends beyond the temperature of its SdH oscillations but disappears before Kohler’s scaling reemerges.

Feng, Yejun [Okinawa Institute of Science and Tech↗
DOE OSTI2024

Helium metastable density determination in the COST reference source by absolutely calibrated optical emission spectroscopy

Helium metastable densities in the COST Reference Microplasma Jet are estimated for a variety of He/N2 admixtures and dissipated powers by applying a collisional-radiative model to absolutely calibrated optical emission spectroscopy measurements. This is accomplished by delineating the excitation mechanisms that result in the N2(C–B) and N2+(B–X) emission bands, the latter of which is strongly coupled to the presence of helium metastables. A number of other plasma parameters are established and discussed for each operating condition including the electron energy distribution function, reduced electric field, rate constants, and electron density. With these parameters, the reaction rates for the primary ionization pathways are also calculated, emphasizing the importance of helium metastables for discharge sustainment. Good agreement with the existing literature is found for most plasma parameters and for helium metastable densities, in particular. A clear [N2]−1 relationship between the nitrogen concentration and density of helium metastables is demonstrated, as has been identified in previous studies in analogous atmospheric pressure plasma jets. This validates the efficacy of this optical technique for determining helium metastable densities and establishes it as a viable, and in many cases, more accessible alternative to other means of quantifying helium metastables in low-temperature plasmas.

Physics↗
DOE OSTI2023

Thermalization at low temperatures via weakly damped multisite baths

We study the thermalization properties of one-dimensional open quantum systems coupled to baths at their boundary. The baths are driven to their thermal states via Lindblad operators, while the system undergoes Hamiltonian dynamics. We specifically consider multisite baths and investigate the extent to which the late-time steady state resembles a Gibbs state at some controllable temperature set by the baths. We study three models: a noninteracting fermion model accessible via free-fermion technology, and two interacting models, the XZ model and the chiral clock model, which are accessible via tensor network methods. We show that, by tuning towards the weak coupling and slow relaxation limits, one can engineer low temperatures in the bulk of the system provided the bath size is big enough. Here, we use this capability to study energy transport in the XZ model at lower temperatures than previously reported. Our work paves the way for future studies of interacting open quantum systems at low temperatures.

1-dimensional spin chains↗
DOE OSTI2022

Conversion Kinetics and Ionic Conductivity in Na-β”-Alumina + YSZ (Naβ”AY) Sodium Solid Electrolyte via Vapor Phase Conversion Process

Sodium ion batteries have been receiving increasing attention and may see potential revival in the near future, particularly in large-scale grid energy storage coupling with wind and solar power generation, due to the abundant sodium resources, low cost, and sufficiently high energy density. Among the known sodium ion conductors, the Na-β”-alumina electrolyte remains highly attractive because of its high ionic conductivity. This study focuses on the vapor phase synthesis of a Na-β”-Alumina + YSZ (Naβ”AY) composite sodium electrolyte, which has higher mechanical strength and stability than conventional single phase β”-Alumina. The objectives are the measurement of conversion kinetics through a newly developed weight-gain based model and the determination of sodium ionic conductivity in the composite electrolyte. Starting samples contained ~70 vol% α-Alumina and ~30 vol% YSZ (3 mol% Y 2 O 3 stabilized Zirconia) with and without a thin alumina surface layer made by sintering in air at 1600 °C. The sintered samples were placed in a powder of Na-β”-alumina and heat-treated at 1250 °C for various periods. Sample dimensions and weight were measured as a function of heat treatment time. The conversion of α-Alumina in the α-Alumina + YSZ composite into Naβ”AY occurred by coupled diffusion of sodium ions through Na-β”-alumina and of oxygen ions through YSZ, effectively diffusing Na2O. From the analysis of the time dependence of sample mass and dimensions, the effective diffusion coefficient of Na 2 O through the sample, D eff , was estimated to be 1.74 x 10 -7 cm2 s -1 , and the effective interface transfer parameter, k eff , was estimated as 2.33 x 10 -6 cm s -1 . By depositing a thin alumina coating layer on top of the bulk composite, the chemical diffusion coefficient of oxygen through single phase Na-β”-alumina was estimated as 4.35 x 10 -10 cm 2 s -1 . An AC impedance measurement was performed on a fully converted Naβ”AY composite, and the conductivity of the composite electrolyte was 1.3 x 10 -1 S cm -1 at 300 °C and 1.6 x 10 -3 S cm -1 at 25 °C, indicating promising applications in solid state or molten salt batteries at low to intermediate temperatures.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Understanding fundamental effects of biofuel structure on ignition and physical fuel properties

The development of biochemicals and biofuels with advantaged properties of higher combustion efficiency at lower emission levels can be aided by a priori prediction of critical global characteristics based on molecular structure. Existing predictive techniques are incomplete for comprehensive ignition and physical fuel property prediction. Here this investigation focuses on filling this knowledge gap by developing a priori prediction techniques for predicting important ignition as well as physical fuel properties of promising advantaged biofuels. We demonstrate the utility of this a priori prediction technique on saturated (≤C 5 ) alcohols, both linear and branched in nature by correlating their molecular structure with both important ignition and physical properties of the fuels. This work utilizes a semi-automated method of predicting ignition characteristics via accurate fundamental-based calculations of the fuel radical cascades that govern low-temperature combustion. This numerical methodology is supported by the relevant fuel ignition delay time (IDT) and research octane number (RON) data experimentally measured by the Advanced Fuel Ignition Delay Analyzer (AFIDA). Phyiscal fuel property trends are also analyzed by correlating the molecular structure of the fuel to its physical characteristics. Based on their molecular structure, recommendations are made on an a priori method for selecting biofuels that have advantaged properties for the selected fuel application. Lastly, the utility of this investigation is extended beyond the subset of alcohols considered by analyzing the IDT trends of i-Pentanol and n-Hexanol, revealing the fidelity of the novel kinetic modelling approach and the accuracy of the predicted trends in this study.

09 BIOMASS FUELS↗
DOE OSTI2023

Systematically derived thermodynamic properties for alkane oxidation

Key combustion properties, such as ignition delay time, show strong sensitivity to the thermochemistry of the main species in the standard radical oxidation pathway at low temperatures (600-1000K). Significant uncertainties persist in current estimates of thermodynamic properties, particularly for the larger species of relevance to common practical fuels. In this article, we use advanced computational schemes to evaluate thermodynamic properties for the fuel, fuel radical, peroxy, hydroperoxy-alkyl radical, and hydroperoxide species for a set of 17 fuels containing up to 9 carbon atoms, and with various degrees of branching in the alkane backbone. The procedure, termed STAR-1D, combines conformer sampling to find the minimum geometry, B2PLYP-D3/cc-pVTZ harmonic frequency evaluations, and omega B97X-D/cc-pVTZ one-dimensional torsional mapping. It includes two physically-based scaling routines: a frequency-dependent scaling to B2PLYP-D3/cc-pVTZ anharmonic frequencies and a scaling of one-dimensional omega B97X-D/ccpVTZ torsional profiles to reproduce the product of the B2PLYP-D3/cc-pVTZ frequencies in the harmonic limit. Substantive comparisons with existing experimental databases, together with careful examinations of key theoretical assumptions, are used to explore the accuracy of the predictions. These computationally intensive explorations of 195 species were facilitated by automated thermochemistry software. Further, high accuracy 0 K heats of formation from a separate study are used with the STAR-1D computations to generate NASA polynomial representations. In addition to their intrinsic value, the present results also provide a reliable database for the optimization of group additivity or machine learning schemes for scaling to larger combustion systems. Towards this end a complementary extensive conformational analysis is carried out for the medium sized species and the thermodynamic properties of the lowest energy hydrogen-bonded and non-hydrogen bonded conformers are contrasted for larger hydroperoxy-alkyl radical species.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2023

MAS: A versatile Landau-fluid eigenvalue code for plasma stability analysis in general geometry

We have developed a new global eigenvalue code, Multiscale Analysis for plasma Stabilities (MAS), for studying plasma problems with wave toroidal mode number (n) and frequency (ω) in a broad range of interest in general tokamak geometry, based on a five-field Landau-fluid description of thermal plasmas. Beyond keeping the necessary plasma fluid response, we further retain the important kinetic effects including diamagnetic drift, ion finite Larmor radius, finite parallel electric field (E||), ion and electron Landau resonances in a self-consistent and non-perturbative manner without sacrificing the attractive efficiency in computation. The physical capabilities of the code are evaluated and examined in the aspects of both theory and simulation. In theory, the comprehensive Landau-fluid model implemented in MAS can be reduced to the well-known ideal MHD model, electrostatic ion-fluid model, and drift-kinetic model in various limits, which clearly delineates the physics validity regime. In simulation, MAS has been well benchmarked with theory and other gyrokinetic and kinetic-MHD hybrid codes in a manner of adopting the unified physical and numerical framework, which covers the kinetic Alfv\'en wave (KAW), ion sound wave (ISW), low-n kink, high-n ion temperature gradient mode (ITG) and kinetic ballooning mode (KBM). Moreover, MAS is successfully applied to model the Alfv\'en eigenmode (AE) activities in DIII-D discharge #159243, which faithfully captures the frequency sweeping of reversed shear Alfv\'en eigenmode (RSAE), the tunneling damping of toroidal Alfv\'en eigenmode (TAE), as well as the polarization characteristics of kinetic beta-induced Alfv\'en eigenmode (KBAE) and beta-induced Alfv\'en-acoustic eigenmode (BAAE) being consistent with former gyrokinetic theory and simulation. With respect to the key progress contributed to the community, MAS has the advantage of combining rich physics ingredients, realistic global geometry and high computation efficiency together for plasma stability analysis in linear regime.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2021

Autoignition study of iso -cetane/tetralin blends at low temperature

iso-Cetane and tetralin are the two fuel components commonly considered in literature diesel surrogates, and are hydrocarbon classes representative of iso-alkanes and naphthoaromatics, respectively. Since both surrogate components are involved in the key reactions controlling the autoignition reactivity of diesel surrogates, autoignition studies of iso-cetane, tetralin, and their blending behavior at low temperatures can be helpful in developing/refining chemical kinetic models of diesel surrogates, in order to better predict diesel ignition response under low temperature combustion conditions. In this investigation, autoignition experiments of iso-cetane, tetralin, and their binary mixtures at varying blending ratios have been conducted in a rapid compression machine (RCM) in the temperature/pressure range of 630–930 K and 10–20 bar. For the neat fuel components, the newly-acquired RCM data have been compared with the literature experimental results at some overlapping conditions. In addition, a chemical kinetic model describing the oxidation of iso-cetane and tetralin compiled/updated from the diesel surrogate model developed by Lawrence Livermore National Laboratory is used to simulate the experimental datasets. It is shown that this model exhibits good agreement with the experimental results of tetralin and also predicts the total ignition delay times of iso-cetane at lower temperatures reasonably well. However, the current model fails to fully capture the increase of total ignition delay time with increasing amount of tetralin in the binary blends observed in the present RCM experiments. Therefore, chemical kinetic analyses of the current model are conducted to help identify possible reasons leading to the discrepancies between simulations and experiments. Furthermore, the chemical kinetic interactions between iso-cetane and tetralin are explored by including additional cross-reactions among iso-cetane, tetralin, and their fuel fragments in the current model to assess their effects on model predictions. As a result, based on the chemical kinetic analysis results, future direction for model refinements is discussed.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2024

Noncommutative field theory of the Tkachenko mode: Symmetries and decay rate

We construct an effective field theory describing the collective Tkachenko oscillation mode of a vortex lattice in a two-dimensional rotating Bose-Einstein condensate in the long-wavelength regime. The theory has the form of a noncommutative field theory of a Nambu-Goldstone boson, which exhibits a noncommutative version of dipole symmetry. From the effective field theory, we show that, at zero temperature, the decay width Γ of the Tkachenko mode scales with its energy E as Γ ∼ E 3 in the low-energy limit. We also discuss the width of the Tkachenko mode at a small temperature. Published by the American Physical Society 2024

Du, Yi-Hsien (ORCID:000000021670899X)↗
DOE OSTI2022

Vacuum-ultraviolet absorption cross-sections of functionalized four-carbon species

Absorption cross-sections were measured in the vacuum ultraviolet from 5.17 – 9.92 eV using differential absorption spectroscopy for 33 four-carbon species: n-butane, trans-2-butene, cis-2-butene, butanal, butyric acid, ethyloxirane, trans-2,3-dimethyloxirane, cis-2,3-dimethyloxirane, 2-methyloxetane, 2,2'-bioxirane, vinyl oxirane, 3,4-epoxybutan-2-one, diacetyl, diethyl ether, ethyl vinyl ether, vinyl acetate, acetic anhydride, 1-butanol, 3-buten-1-ol, 1–hydroxy-butan-2-one, 1–hydroxy-butan-3-one, 2,3-epoxybutan-1-ol, 3,4-epoxybutan-1-ol, 2-oxetanemethanol, butanone, methyl vinyl ketone, 4H-1,3-dioxine, allyl formate, 2-oxobutanal, 4-hydroxybutanal, 2-methyloxetan-3-one, cis–but-2-en-1-ol, and trans-2–but-enal. Uncertainties were quantified in all cases by accounting for errors in gas-phase concentration, experimental repeatability, and signal-to-noise ratio as a function of photon energy. With the exception of 2-oxobutanal, which is reported with an uncertainty of 10%, convolving the sources of error using the root-sum-square method led to an upper limit of 5% uncertainty above the detection limit, which is largely attributable to chemical purity. Here, the primary objective of the present work is to provide absolute cross-sections along with quantified uncertainty limits. The majority of the absorption spectra, which reflect electronic transitions such as σ → σ* and n → σ*, are reported for the first time and provide insight into fundamental chemical physics, such as vibrational band structure and Rydberg transitions. The quantitative spectra in the present work facilitates the discovery of chemical intermediates that support improvement in the accuracy of computational models for low-temperature combustion and atmospheric chemistry.

biofuels↗
DOE OSTI2022

Electron doping of NdNiO 3 thin films using dual chamber CaH 2 annealing

Hydrogen donor doping has been exploited as a strategy to manipulate the electronic structure and electrical properties of functional oxide systems. Especially, the development of synthetic methods to achieve electron doping of perovskite rare-earth nickelate thin films utilizing interstitial hydrogen is highly desirable considering the rich electronic phase diagram hosting several functional properties. Here, in this work, we present the hydrogenation of NdNiO 3 (NNO) thin films using CaH 2 annealing and the resulting giant modulation of electrical resistivity in hydrogenated NNO (H–NNO) thin films. Magnetron sputtering was employed to deposit epitaxial ~60 nm-thin NNO films on single crystal LaAlO 3 (LAO) substrates. The formation of the pristine perovskite NNO phase was realized after annealing the films at 500 °C for 24 h. CaH 2 annealing of NNO thin films for time durations ranging from 1 to 6 h was performed in a vacuumed ampule with two interconnected chambers at 280 °C. The two-chamber design enables a simple and clean approach for hydrogen doping without physical contact between the powder and sample of interest. X-ray diffraction and Raman spectroscopy revealed the formation of NNO in pristine samples, and the subsequent hydrogen incorporation upon CaH 2 annealing without forming any impurity phases. The conversion of the oxidation state of Ni towards +2 upon CaH 2 annealing was probed using X-ray photoelectron spectroscopy and X-ray absorption spectroscopy. Consequently, a substantial increase in the room-temperature resistivity was observed upon CaH 2 annealing indicating the formation of a strongly correlated electronic configuration of Ni in H–NNO due to electron doping. Overall, the findings of this study highlight the versatility of CaH 2 annealing as an electron doping method to tune the electrical properties of correlated oxides at low temperatures.

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

Thermodynamics of Light Management in Near-Field Thermophotovoltaics

We evaluate near-field thermophotovoltaic (TPV) energy-conversion systems focusing in particular on their open-circuit voltage (V OC ). Unlike previous analyses based largely on numerical simulations with fluctuational electrodynamics, here, we develop an analytic model that captures the physics of near-field TPV systems and can predict their performance metrics. Using our model, we identify two opportunities of TPV systems operating in the near field. First, we show analytically that enhancement of radiative recombination is a natural consequence of operating in the near field. Second, we note that, owing to photon recycling and minimal radiation leakage in near-field operation, the PV cell used in near-field TPV systems can be much thinner compared to those used in solar PV systems. Since nonradiative recombination is a volumetric effect, use of a thinner cell reduces nonradiative losses per unit area. The combination of these two opportunities leads to increasingly large values of V OC as the TPV vacuum gap decreases. Hence, although operation in the near-field was previously perceived to be beneficial for electrical power-density enhancement, here, we emphasize that thin-film near-field TPVs are also significantly advantageous in terms of V OC and consequently conversion efficiency as well as power density. We provide numerical results for an InAs-based thin-film TPV that exhibits efficiency >50% at an emitter temperature as low as 1100 K.

42 ENGINEERING↗