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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 757 records · Page 42
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Inverse aspect-ratio expanded tokamak equilibria

Following Greene et al. [Phys. Fluids 14, 671 (1971)] and Connor et al. [Phys. Plasmas 31, 577 (1988); Plasma Phys. Control. Fusion 34, 161 (1992); and Nucl. Fusion 33, 1533 (1993)], the Grad-Shafranov equation for an axisymmetric tokamak plasma equilibrium is solved via an expansion in the, supposedly small, inverse aspect-ratio of the plasma, ϵ. The displacements of equilibrium magnetic flux-surfaces due to plasma shaping are assumed to be $\mathcal{O}$(ϵ) smaller than the minor radii of the surfaces, but no other restriction is placed on the nature of the shaping. The solution of the Grad-Shafranov equation is matched to a vacuum solution that extends to infinity, and consists of an expansion in toroidal functions. The external poloidal magnetic field generated by a finite set of discrete external poloidal magnetic field-coils is calculated, and incorporated into the toroidal function expansion. In this manner, the shape of a large aspect-ratio tokamak plasma is directly related to the currents flowing in the external poloidal field-coils. Finally, a pedestal in the plasma pressure, and the associated spike in the bootstrap current, are incorporated into the model.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2021

User Guide to the Advanced Dimensional Depletion for Engineering of Reactors (ADDER) Software (V.1.0)

The Advanced Dimensional Depletion for Engineering of Reactors (ADDER) software is being developed in the Research and Test Reactor (RTR) Program at Argonne National Laboratory to meet the reactor design and analysis needs of the Conversion Program. ADDER is a flexible tool that (1) provides a depletion capability through coupling external neutronics codes with a built-in CRAM solver or external depletion code and (2) provides a user-friendly interface to perform fuel management and criticality search operations. The ADDER software is a Python 3 application written using modern software development practices subject to a compliant implementation of NQA-1 and applicable Department of Energy software quality assurance standards. This report is the user guide for the initial software release as ADDER v1.0.0. The motivation for a software to have flexible capabilities that ADDER possesses is the need to support a wide variety of geometries that are commonly required in analysis of research and test reactors. These reactors can have complex fuel, experiment, or control material shuffling patterns that persist over several years with many fuel management and partial refueling intervals. The scale of fuel management analysis can require tracking of an inventory that is multiple times the core loading. Many reactors, both power and non-power reactors of various types, will find the features of ADDER useful to facilitate key tasks that a fuel or core design engineer must perform with the convenience of concise input and validated functionality.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2023

Time‐Lapse Image Classification Using a Diffractive Neural Network

Diffractive deep neural networks (D 2 NNs), comprised of spatially engineered passive surfaces, collectively process optical input information at the speed of light propagation through a thin diffractive volume, without any external computing power. Diffractive networks were demonstrated to achieve all‐optical object classification and perform universal linear transformations. Herein, a “time‐lapse” image classification scheme using a diffractive network is demonstrated for the first time, significantly advancing its classification accuracy and generalization performance on complex input objects by using the lateral movements of the input objects and/or the diffractive network, relative to each other. In a different context, such relative movements of the objects and/or the camera are routinely being used for image super‐resolution applications; inspired by their success, a time‐lapse diffractive network is designed to benefit from the complementary information content created by controlled or random lateral shifts. The design space and performance limits of time‐lapse diffractive networks are numerically explored, revealing a blind testing accuracy of 62.03% on the optical classification of objects from the CIFAR‐10 dataset. This constitutes the highest inference accuracy achieved so far using a single diffractive network on the CIFAR‐10 dataset. Time‐lapse diffractive networks will be broadly useful for the spatiotemporal analysis of input signals using all‐optical processors.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Octet: A coherent qubit control system for trapped-ion quantum computers

This is firmware and software designed for a Zynq UltraScale+ RFSoC chip made by Xilinx, specifically targeted to laser-based individual addressing of trapped ion qubits via a multi-channel AOM. The design features 8 dual-tone outputs with frequencies up to 409 MHz that can be controlled statically or dynamically via on-chip cubic spline interpolation engines that allow one to generate sequences of output waveforms with fast modulation of frequency, phase, amplitude, and z-rotations that are smooth/discrete and can run simultaneously across all parameters/tones. It also features global phase alignment on all tones regardless of frequency and the ability to return to a known phase/frequency at any later time on a per-tone basis without the need for manual bookkeeping. Acoustic and optical cross-talk can also be destructively canceled by adding neighboring outputs with variable amplitude/phase/delay. Each tone can be optionally frequency locked to an external RF source. SAND2020-12703 M Sandia National Laboratories is a multimission laboratory managed and operated by National Technology & Engineering Solutions of Sandia, LLC, a wholly owned subsidiary of Honeywell International Inc., for the U.S. Department of Energy’s National Nuclear Security Administration under contract DE-NA0003525.

Lobser, Daniel↗
DOE OSTI2022

User Guide to the Advanced Dimensional Depletion for Engineering of Reactors (ADDER) Software (V.1.01)

The Advanced Dimensional Depletion for Engineering of Reactors (ADDER) software is being developed in the Research and Test Reactor (RTR) Program at Argonne National Laboratory to meet the reactor design and analysis needs of the Conversion Program. ADDER is a flexible tool that (1) provides a depletion capability through coupling external neutronics codes with a built-in CRAM solver or external depletion code and (2) provides a user-friendly interface to perform fuel management and criticality search operations. The ADDER software is a Python 3 application written using modern software development practices subject to a compliant implementation of NQA-1 and applicable Department of Energy software quality assurance standards. This report is the user guide for the software release referred to as ADDER v1.0.1. The motivation for a software to have flexible capabilities that ADDER possesses is the need to support a wide variety of geometries that are commonly required in analysis of research and test reactors. These reactors can have complex fuel, experiment, or control material shuffling patterns that persist over several years with many fuel management and partial refueling intervals. The scale of fuel management analysis can require tracking of an inventory that is multiple times the core loading. Many reactors, both power and non-power reactors of various types, will find the features of ADDER useful to facilitate key tasks that a fuel or core design engineer must perform with the convenience of concise input and validated functionality.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2025

The Advanced Dimensional Depletion for Engineering of Reactors (ADDER) Software for Depletion and Fuel Management

The Advanced Dimensional Depletion for Engineering of Reactors (ADDER) software is being developed in the Research and Test Reactor (RTR) Program at Argonne National Laboratory to meet the reactor design and analysis needs of the Conversion Program. ADDER is a flexible tool that (1) provides a depletion capability through coupling external neutronics codes with a built-in CRAM solver or external depletion code and (2) provides a user-friendly interface to perform fuel management and criticality search operations. The ADDER software is a Python 3 application written using modern software development practices subject to a compliant implementation of NQA-1 and applicable Department of Energy software quality assurance standards. This report is the user guide for the software release referred to as ADDER v1.1.0. The motivation for a software to have flexible capabilities that ADDER possesses is the need to support a wide variety of geometries that are commonly required in analysis of research and test reactors. These reactors can have complex fuel, experiment, or control material shuffling patterns that persist over several years with many fuel management and partial refueling intervals. The scale of fuel management analysis can require tracking of an inventory that is multiple times the core loading. Many reactors, both power and non-power reactors of various types, will find the features of ADDER useful to facilitate key tasks that a fuel or core design engineer must perform with the convenience of concise input and validated functionality.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2025

The Advanced Dimensional Depletion for Engineering of Reactors (ADDER) Software for Depletion and Fuel Management

The Advanced Dimensional Depletion for Engineering of Reactors (ADDER) software is being developed in the Research and Test Reactor (RTR) Program at Argonne National Laboratory to meet the reactor design and analysis needs of the Conversion Program. ADDER is a flexible tool that (1) provides a depletion capability through coupling external neutronics codes with a built-in CRAM solver or external depletion code and (2) provides a user-friendly interface to perform fuel management and criticality search operations. The ADDER software is a Python 3 application written using modern software development practices subject to a compliant implementation of NQA-1 and applicable Department of Energy software quality assurance standards. This report is the user guide for the software release referred to as ADDER v1.1.0. The motivation for a software to have flexible capabilities that ADDER possesses is the need to support a wide variety of geometries that are commonly required in analysis of research and test reactors. These reactors can have complex fuel, experiment, or control material shuffling patterns that persist over several years with many fuel management and partial refueling intervals. The scale of fuel management analysis can require tracking of an inventory that is multiple times the core loading. Many reactors, both power and non-power reactors of various types, will find the features of ADDER useful to facilitate key tasks that a fuel or core design engineer must perform with the convenience of concise input and validated functionality.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2024

Chiral flat-band optical cavity with atomically thin mirrors

A fundamental requirement for photonic technologies is the ability to control the confinement and propagation of light. Widely used platforms include two-dimensional (2D) optical microcavities in which electromagnetic waves are confined in either metallic or distributed Bragg reflectors. Recently, transition metal dichalcogenides hosting tightly bound excitons with high optical quality have emerged as promising atomically thin mirrors. In this work, we propose and experimentally demonstrate a subwavelength 2D nanocavity using two atomically thin mirrors with degenerate resonances. Angle-resolved measurements show a flat band, which sets this system apart from conventional photonic cavities. We demonstrate how the excitonic nature of the mirrors enables the formation of chiral and tunable optical modes upon the application of an external magnetic field. Moreover, we show the electrical tunability of the confined mode. Our work demonstrates a mechanism for confining light with high-quality excitonic materials, opening perspectives for spin-photon interfaces, and chiral cavity electrodynamics.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Photobiocatalysis for Abiological Transformations

Harnessing biocatalysts for novel abiological transformations is a longstanding goal of synthetic chemistry. Combining the merits of biocatalysis and photocatalysis allows for selective transformations fueled by visible light and offers many advantages including new reactivity, high enantioselectivity, greener syntheses, and high yields. Photoinduced electron or energy transfer enables synthetic methodologies that complement conventional two electron processes or offer orthogonal pathways for developing new reactions. Enzymes are well suited and can be tuned by directed evolution to exert control over radical intermediates thereby suppressing undesirable reactions and delivering high chemo- and stereoselectivities. Within the past decade, the combination of biocatalysis and photocatalysis was mainly focused on exploiting light-regenerated cofactors to increase native enzymatic activity. However, recent developments have demonstrated that the combination can unlock new-to-nature chemistry. Particularly, the discovery and application of new strategies are well poised to expand the applications of photobiocatalysis. In the past three years, our lab has been studying the combinations of photocatalysis and biocatalysis which can be applied to create new synthetic methodologies and solve challenges in synthetic organic chemistry. Our efforts have expanded the strategies for combining external photocatalysts with enzymes through the construction of a synergistic cooperative stereoconvergent reduction system consisting of photosensitized energy transfer and ene-reductase catalyzed alkene reduction. Additionally, our efforts have also extended the capability of cofactor-dependent photoenzymatic systems to include enantioselective bimolecular radical hydroalkylations of alkenes by irradiating electron donor-acceptor complexes comprised of enzymatic redox active cofactors and unnatural substrates. In this Account, we highlight strategies developed by our group and others for combining biocatalysis and photocatalysis with the aim of introducing nonnatural reactivity to enzymes. Presently, strategies applied to achieve this goal include the repurposing of newly discovered photoactive enzymes, the elucidation of new photoreactivity within cofactor-dependent enzymes, the combination of external photocatalysts with enzymes, and the construction of artificial photoenzymes. By demonstrating the successful application of these strategies for achieving selective new-to-nature transformations, we hope to spur interest in the expanding the scope of photobiocatalytic systems through the use and extension of these strategies and creation of new strategies. In addition, we hope to elucidate the intuition in synergizing the unique capabilities of biocatalysis and photocatalysis so that photobiocatalysis can be recognized as a potential solution to difficult challenges in synthetic organic chemistry.

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

Effects of surface chemical potentials on cation segregation

Surface cation segregation on perovskite-type electrodes is one of the major issues limiting the durability of high-temperature solid-oxide electrochemical cells, and this process is strongly dependent on temperature, the external gas-environment, and impurities in air, such as CO 2 . Here cation segregation on La 0.6 Sr 0.4 Co 0.2 Fe 0.8 O 3-δ (LSCF) is systematically evaluated under a set of chemical potentials to determine the origin of surface segregation and the dominant factors that govern the segregation process. Temperature is the main driving force for surface strontium segregation as the thermodynamic stability of each phase varies, and the SrO particles appear primarily in a specific operating window. In addition to the required thermal energy, the presence of gaseous oxygen-containing molecules as reactants help drive the precipitation of SrO. Oxygen partial pressure (pO 2 ) controls the defect chemistry of LSCF, leading to promotion or suppression of surface segregation. The presence of CO 2 promotes the nucleation process and suppresses the surface migration step, significantly altering the surface morphology. We also show that A-site deficiency can limit the SrO segregation in certain conditions but shows no effect in others. This study reveals the impact of gas–solid interactions on surface segregation and highlights the subtle relationship between multiple segregation driving forces.

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

Quantitative Separation of Unknown Organic–Metal Complexes by Liquid Chromatography–Inductively Coupled Plasma-Mass Spectrometry

Dissolved organic matter (DOM) is widely recognized to control the solubility and reactivity of trace metals in the environment. However, the mechanisms that govern metal-DOM complexation remain elusive, primarily due to the analytical challenge of fractionating and quantifying metal–organic species within the complex mixture of organic compounds that comprise DOM. Here, we describe a quantitative method for fractionation and element-specific detection of organic–metal complexes using liquid chromatography with online inductively coupled plasma mass spectrometry (LC–ICP-MS). The method implements a post-column compensation gradient to stabilize ICP–MS elemental response across the LC solvent gradient, thereby overcoming a major barrier to achieving quantitative accuracy with LC–ICP-MS. With external calibration and internal standard correction, the method yields concentrations of organic–metal complexes that were consistently within 6% of their true values, regardless of the complex’s elution time. We used the method to evaluate the effects of four stationary phases (C18, phenyl, amide, and pentafluoroylphenyl propyl) on the recovery and separation of environmentally relevant trace metals (Mn, Fe, Co, Ni, Cu, Zn, Cd, and Pb) in Suwannee River Fulvic Acid and Suwannee River Natural Organic Matter. The C18, amide, and phenyl phases generally yielded optimal metal recoveries (>75% for all metals except Pb), with the phenyl phase separating polar species to a greater extent than C18 or amide. We also fractionated organic-bound Fe, Cu, and Ni in oxidized and reduced soils, revealing divergent metal-DOM speciation across soil redox environments. Finally, by enabling quantitative fractionation of DOM-bound metals, our method offers a means for advancing a mechanistic understanding of metal–organic complexation throughout the environment.

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

Phase Transition in a Memristive Suspended MoS 2 Monolayer Probed by Opto- and Electro-Mechanics

Semiconducting monolayers of a 2D material are able to concatenate multiple interesting properties into a single component. Here, by combining opto-mechanical and electronic measurements, we demonstrate the presence of a partial 2H–1T' phase transition in a suspended 2D monolayer membrane of MoS 2 . Electronic transport shows unexpected memristive properties in the MoS 2 membrane, in the absence of any external dopants. A strong mechanical softening of the membrane is measured concurrently and may only be related to the 2H–1T' phase transition, which imposes a 3% directional elongation of the topological 1T' phase with respect to the semiconducting 2H. We note that only a few percent 2H–1T' phase switching is sufficient to observe measurable memristive effects. Our experimental results combined with first-principles total energy calculations indicate that sulfur vacancy diffusion plays a key role in the initial nucleation of the phase transition. Our study clearly shows that nanomechanics represents an ultrasensitive technique to probe the crystal phase transition in 2D materials or thin membranes. Lastly, a better control of the microscopic mechanisms responsible for the observed memristive effect in MoS 2 is important for the implementation of future devices.

2D materials↗
DOE OSTI2020

Anisotropic Electron Fluid Closure Validated by in Situ Spacecraft Observations in the far Exhaust of Guide-field Reconnection

Anisotropic electron heating predictions of the equations of state of Le et al. (2009); https://doi.org/10.1103/PhysRevLett.102.085001 (“the EoS”) are applied to reconnection in the Earth's magnetosheath. The model is applicable to open systems where electrons are streaming along magnetic field lines into the reconnection region, sourced by fixed external reservoirs of plasma ambient to the reconnection region. While spacecraft observations have previously shown the EoS to hold in the region near the X-line, we find that for an event observed far downstream (~100 d i ) from the X-line both inflows and the exhaust follow the predictions of the EoS. Furthermore, the model underlying the EoS is extended to include additional perpendicular heating terms relevant to the considered event undergoing active magnetic compression with local electron trapping. Finally, the agreement between the spacecraft observations and the EoS emphasizes the roles of the ambient plasma sources and the dynamics of trapped and passing electrons in setting and controlling the anisotropic electron heating at large scale in naturally occurring plasma configurations.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2021

Solvent-induced electrochemistry at an electrically asymmetric carbon Janus particle

Chemical doping through heteroatom substitution is often used to control the Fermi level of semiconductor materials. Doping also occurs when surface adsorbed molecules modify the Fermi level of low dimensional materials such as carbon nanotubes. A gradient in dopant concentration, and hence the chemical potential, across such a material generates usable electrical current. This opens up the possibility of creating asymmetric catalytic particles capable of generating voltage from a surrounding solvent that imposes such a gradient, enabling electrochemical transformations. In this work, we report that symmetry-broken carbon particles comprised of high surface area single-walled carbon nanotube networks can effectively convert exothermic solvent adsorption into usable electrical potential, turning over electrochemical redox processes in situ with no external power supply. The results from ferrocene oxidation and the selective electro-oxidation of alcohols underscore the potential of solvent powered electrocatalytic particles to extend electrochemical transformation to various environments.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

Warming Pattern over the Northern Hemisphere Midlatitudes in Boreal Summer 1979–2020

Abstract Significant surface air temperature warming during summer 1979–2020 is not uniformly distributed in the northern midlatitudes over land but rather is confined to several longitudinal sectors including Europe, central Siberia and Mongolia, and both coasts of North America. These hot spots are accompanied by a chain of high pressure ridges from an anomalous, circumglobal Rossby wave train in the upper troposphere. From reanalysis data and several baseline experiments from phase 6 of the Coupled Model Intercomparison Project (CMIP6), we find that the circulation trend pattern is associated with fluctuations of the Atlantic multidecadal variability (AMV) and the interdecadal Pacific oscillation. The phase shift of AMV in the 1990s is particularly noteworthy for accelerating warming averaged over the northern midlatitude land. The amplitude of the observed trend in both surface air temperature and the upper-level geopotential height generally falls beyond the range of multidecadal trends simulated by the CMIP6 preindustrial control runs, supporting the likelihood that anthropogenic forcing played a critical role in the observed trend. On the other hand, the fidelity of the simulated low-frequency modes of variability and their teleconnections, especially on multidecadal time scales, is difficult to assess because of the relatively short observational records. Our mechanistic modeling results indicate that synoptic eddy–mean flow interaction is a key to the formation of the anomalous wave train but how the multidecadal modes can modulate the synoptic eddies through atmosphere–ocean and atmosphere–land interactions remains poorly understood. This gap in our knowledge makes it challenging to quantify the roles of the low-frequency modes and external forcings in causing the observed multidecadal trends.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2024

Use of current-potential patches to obtain fundamental improvements to the coils of magnetic fusion devices

A central issue in the design of tokamaks or stellarators is the coils that produce the external magnetic fields. The freedom that remains unstudied in the design of coils is enormous. This freedom could be quickly studied computationally at low cost with high reliability. In particular, the space between toroidal field and modular coils that blocks access to the plasma chamber could be increased by a large factor. The concept of current-potential patches, which was developed in Todd Elder's thesis, provides a method for separating the study of the feasibility of coils with attractive physics properties from the engineering design of specific coils. In addition to enhanced accessibility, coils can be designed for increased plasma-coil separation, insensitivity to coil position errors, and plasma control.

Boozer, Allen H. [Columbia Univ., New York, NY (Un↗
DOE OSTI2020

Aging phenomena in the two-dimensional complex Ginzburg-Landau equation

The complex Ginzburg-Landau equation with additive noise is a stochastic partial differential equation that describes a remarkably wide range of physical systems which include coupled non-linear oscillators subject to external noise near a Hopf bifurcation instability and spontaneous structure formation in non-equilibrium systems, e.g., in cyclically competing populations or oscillatory chemical reactions. Here, we employ a finite-difference method to numerically solve the noisy complex Ginzburg-Landau equation on a two-dimensional domain with the goal to investigate its non-equilibrium dynamics when the system is quenched into the “defocusing spiral quadrant”. We observe slow coarsening dynamics as oppositely charged topological defects annihilate each other, and characterize the ensuing aging scaling behavior. We conclude that the physical aging features in this system are governed by non-universal aging scaling exponents. We also investigate systems with control parameters residing in the “focusing quadrant”, and identify slow aging kinetics in that regime as well. Finally, we provide heuristic criteria for the existence of slow coarsening dynamics and physical aging behavior in the complex Ginzburg-Landau equation.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗