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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 667 records · Page 37
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Laser field control of subradiant states of a system of several atoms in a configuration close to a regular polygon

Some collective excitations of an ensemble of closely spaced (two-level) atoms can be characterised by extremely low rates of radiation decay, which is of considerable interest for storing quantum information. Such (dark) states are realised, for example, in planar geometry when atoms are located at the nodes of a regular polygon. However, the decay rate of such excitations increases markedly when the geometry deviates from ideal. Using the example of small deformation of a square in a rhombus, we show that an increase in the decay rate of the dark state due to symmetry breaking can be compensated for by adjusting the transition frequency of some atoms exposed to external laser radiation. (paper)

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2020

Strong mutual increase in the efficiency of isotope-selective laser IR dissociation of molecules under nonequilibrium thermodynamic conditions of the compression shock under irradiation in a bimolecular mixture

We have revealed a strong (by a factor of 2 to 5) mutual increase in the yield of IR molecular dissociation (by the example of CF{sub 2}HCl and CF{sub 3}Br) and a significant (by a factor of 1.5 to 3) lowering of dissociation thresholds in the nonequilibrium thermodynamic conditions of compression shock in the irradiation of the molecules by resonance IR laser radiation in the bimolecular mixture in comparison with their individual irradiation. This opens up the possibility to perform efficient isotope-selective IR dissociation of molecules at lower excitation energy densities (Φ ⩽ 1.5 – 2.0 J cm{sup −2}) and thereby to improve the dissociation selectivity. This was demonstrated by the example of chlorine- and bromine-isotope selective dissociation of the specified molecules, which are characterised by quite small (less than 0.25 cm{sup −1}) isotope shifts in the IR vibrational absorption spectra excited by laser radiation. The enrichment coefficients K {sub enr}({sup 35}Cl / {sup 37}Cl) = 0.90 ± 0.05 in the residual CF{sub 2}HCl gas and K {sub enr}({sup 79}Br / {sup 81}Br) in the resultant Br{sub 2} product are obtained when the CF{sub 2}HCl : CF{sub 3}Br = 1 : 1 molecular mixture and CF{sub 3}Br molecules, respectively, are irradiated by the 9R(30) CO{sub 2} laser line (frequency, 1084.635 cm{sup −1}) at an energy density Φ ≈ 1.3 J cm{sup −2}. (laser isotope separation)

36 MATERIALS SCIENCE↗
DOE OSTI2020

Energy storage emerging: A perspective from the Joint Center for Energy Storage Research

Energy storage is an integral part of modern society. A contemporary example is the lithium (Li)-ion battery, which enabled the launch of the personal electronics revolution in 1991 and the first commercial electric vehicles in 2010. Most recently, Li-ion batteries have expanded into the electricity grid to firm variable renewable generation, increasing the efficiency and effectiveness of transmission and distribution. Important applications continue to emerge including decarbonization of heavy-duty vehicles, rail, maritime shipping, and aviation and the growth of renewable electricity and storage on the grid. This perspective compares energy storage needs and priorities in 2010 with those now and those emerging over the next few decades. The diversity of demands for energy storage requires a diversity of purpose-built batteries designed to meet disparate applications. Advances in the frontier of battery research to achieve transformative performance spanning energy and power density, capacity, charge/discharge times, cost, lifetime, and safety are highlighted, along with strategic research refinements made by the Joint Center for Energy Storage Research (JCESR) and the broader community to accommodate the changing storage needs and priorities. Innovative experimental tools with higher spatial and temporal resolution, in situ and operando characterization, first-principles simulation, high throughput computation, machine learning, and artificial intelligence work collectively to reveal the origins of the electrochemical phenomena that enable new means of energy storage. This knowledge allows a constructionist approach to materials, chemistries, and architectures, where each atom or molecule plays a prescribed role in realizing batteries with unique performance profiles suitable for emergent demands.

Trahey, Lynn↗
DOE OSTI2022

Analytic gradients for compressed multistate pair-density functional theory

Photochemical reactions often involve states that are closely coupled due to near degeneracies, for example by proximity to conical intersections. Therefore, a multistate method is used to accurately describe these states; for example, ordinary perturbation theory is replaced by quasidegenerate perturbation theory. Multiconfiguration pair-density functional theory (MC-PDFT) provides an efficient way to approximate the full dynamical correlation energy of strongly correlated systems, and we recently proposed compressed multistate pair-density functional theory (CMS-PDFT) to treat closely coupled states. In the present paper, we report the implementation of analytic gradients for CMS-PDFT in both OpenMolcas and PySCF, and here we illustrate the use of these gradients by applying the method to the excited states of formaldehyde and phenol.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2023

Early-Stage Radiation Safety Analysis for the Spallation Neutron Source Second Target Station Bunker Operations

The Second Target Station project at Oak Ridge National Laboratory will develop a cold neutron source to meet growing experimental needs. This paper describes calculations of the residual dose rates associated with the monolith shield plug and the beamline bunker, two key conventional operations and radiation safety features. While neutron production is active, the instrument hall outside the bunker must be generally accessible with dose rates of less than 0.25 mrem/h. When neutron production is halted, the bunker must be accessible for hands-on maintenance operations. Further, these two requirements form the cause for the assessments reported herein of residual dose rates caused by the monolith shield plug and residual dose rates in the bunker. The monolith shield plug was shown to not produce significant dose rates inside the bunker after a 20-year lifetime, and the residual dose rates inside the bunker for the case of an operating beamline were shown to reasonably allow for hands-on maintenance. These calculations are based on preliminary design models of the relevant systems. Additionally, an example showing the significance of considering neutron supermirror physics in transport calculations that track nuclide production and destruction rates to produce gamma sources for residual dose rate calculations is included. The example shows that if neutron supermirror physics is not considered, dose rate fields may be significantly underpredicted.

61 RADIATION PROTECTION AND DOSIMETRY↗
DOE OSTI2025

Apomixis in Farmers’ Fields: Overview, Case Studies from Forage Grasses and Considerations for Future Apomictic Crops

Apomixis occurs naturally in several commercially important species from diverse plant families. While in some of these species apomixis is yet to be exploited in breeding schemes aimed at fixing heterosis, genetic progress and cultivar development, in other species apomixis has been integrated at different stages of breeding. Some of the most relevant examples come from the subfamily Panicoideae, the second largest subfamily of the Poaceae, and are the main focus of this review. The subfamily encompasses many tropical and sub-tropical grasses and grains of worldwide economic importance. Apomictic tropical forages are prime examples of how apomixis can be used and exploited in the development of marketable cultivars, which are essential to the meat and milk production industries globally. The main commercial forages used as grass pastures covering millions of hectares in tropical and sub-tropical regions are polyploids exhibiting gametophytic apomixis that belong to the genus Urochloa spp. (brachiariagrasses) and to the species Megathyrsus maximus (guineagrass). Buffel grass (Cenchrus ciliaris) and Paspalum spp. are other important apomictic forages bred and used in these regions. Breeding involves large germplasm collections from the centers of origin of the species, and for most of them, sexually reproducing diploid plants have been found. Chromosomically duplicated plants that maintain sexual reproduction are used in crosses with apomictic genotypes for the development and selection of cultivars to be marketed or used as progenitors in subsequent breeding cycles. The peculiarities of each genus/species breeding programs, the cultivars obtained from these programs, and the impact of use of marker assisted selection in cultivar development are presented. In addition, the test or implementation of new technologies such as high throughput phenotyping, and the use of machine learning methods for trait prediction and genomic selection are positively impacting the selection and speed of development of new polyploid apomictic cultivars. Furthermore, genetic transformation techniques, including genome editing, provide an additional layer for design of tailor-made, customer-oriented cultivars.

Cenchrus↗
DOE OSTI2024

Triboplasma assisted chemical conversion in granular systems: a semi-analytic model

We present a semi-analytic model for a novel plasma-assisted chemical conversion pathway using triboplasmas generated in granular flows. Triboelectric charge relaxation is a well known phenomena where the potential generated from contact charging of particles exceeds the breakdown voltage of the background gas. In this work, we extend the triboelectric charge relaxation theory to include non equilibrium plasma energy and particle balance equations to predict the formation of dissociated and excited species that act as precursors to chemical conversion, for example in plasma-assisted ammonia synthesis. Our example case study with nitrogen background gas and teflon/aluminum tribomaterial system yielded high excited nitrogen species densities per collision that are comparable to current plasma-assisted conversion pathways. We also present a regime diagram for various gases where Paschen breakdown parameters are used to determine whether triboplasmas can be formed for a given effective work-function difference between two materials. Our sensitivity studies indicate particle velocity, particle radius, solids fraction and space charge effects play a critical role in overall plasma densities and excited species production.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2021

Get on the BAND Wagon: a Bayesian framework for quantifying model uncertainties in nuclear dynamics

In this paper, we describe the Bayesian Analysis of Nuclear Dynamics (BAND) framework, a cyberinfrastructure that we are developing which will unify the treatment of nuclear models, experimental data, and associated uncertainties. We overview the statistical principles and nuclear-physics contexts underlying the BAND toolset, with an emphasis on Bayesian methodology's ability to leverage insight from multiple models. In order to facilitate understanding of these tools we provide a simple and accessible example of the BAND framework's application. Four case studies are presented to highlight how elements of the framework will enable progress on complex, far-ranging problems in nuclear physics. By collecting notation and terminology, providing illustrative examples, and giving an overview of the associated techniques, this paper aims to open paths through which the nuclear physics and statistics communities can contribute to and build upon the BAND framework.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2023

Uniqueness of relaxation times determined by dielectric spectroscopy

Dielectric spectroscopy is extremely powerful to study molecular dynamics, because of the very broad frequency range. Often multiple processes superimpose resulting in spectra that expand over several orders of magnitude, with some of the contributions partially hidden. For illustration, we selected two examples, (i) normal mode of high molar mass polymers partially hidden by conductivity and polarization and (ii) contour length fluctuations partially hidden by reptation using the well-studied polyisoprene melts as example. The intuitive approach to describe experimental spectra and to extract relaxation times is the addition of two or more model functions. Here, we use the empirical Havriliak-Negami function to illustrate the ambiguity of the extracted relaxation time, despite an excellent agreement of the fit with experimental data. We show that there are an infinite number of solutions for which a perfect description of experimental data can be achieved. However, a simple mathematical relationship indicates uniqueness of the pairs of the relaxation strength and relaxation time. Sacrificing the absolute value of the relaxation time enables to find the temperature dependence of the parameters with a high accuracy. For the specific cases studied here, the time temperature superposition (TTS) is very useful to confirm the principle. However, the derivation is not based on a specific temperature dependence, hence, independent from the TTS. We compare new and traditional approaches and find the same trend for the temperature dependence. The important advantage of the new technology is the knowledge of the accuracy of the relaxation times. Relaxation times determined from data for which the peak is clearly visible are the same within the experimental accuracy for traditional and new technology. However, for data where a dominant process hides the peak, substantial deviations can be observed. Finally, we conclude that the new approach is particularly helpful for cases in which relaxation times need to be determined without having access to the associated peak position.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Archival records housed at USTUR support radium dial worker dosimetry

The American radium dial worker (RDW) cohort of over 3200 persons is being revisited as part of the Million Person Study (MPS) to include a modern approach to RDW dosimetry. An exceptional source of data and contextualization in this project is an extensive collection of electronic records (digitized from existing microfilm and microfiche) housed at the United States Transuranium and Uranium Registries (USTUR). Although the type, extent, and quality (e.g. legibility) of record(s) varies between individuals, the remarkable occupational, medical and demographic data include in vivo radiation measurements (e.g. radon breath, whole body counts), autopsy results, medical records (including copies of radiographs), interviews over the years, and correspondence. Of particular dosimetric interest are the details of radiation measurements. For example, there are some instances where hand-written and transcribed values are both available, along with notes providing context for why a particular measurement in a series of measurements was chosen to assign an intake, or if there were concerns about a particular measurement. Born prior to 1935, RDW have nearly all passed away. Thus, the updated dosimetry, especially for the skeletal tissues, will allow the correlation of lifetime cumulative dose with radiation risk. Here we review typical information available in this collection of historical records and highlight some interesting finds. Additionally, we discuss the relevance to current and ongoing work related to updating the dosimetry of the RDW in the MPS, including providing an example of the usefulness of information contained in these records. The RDW cohort provides a unique historical perspective on occupational exposure to radium, making it a valuable dataset for understanding long-term health effects and improving current radiation protection standards.

Million Person Study↗
DOE OSTI2022

Near real-time streaming analysis of big fusion data

Experiments on fusion plasmas produce high-dimensional data time series with ever-increasing magnitude and velocity, but turn-around times for analysis of this data have not kept up. For example, many data analysis tasks are often performed in a manual, ad-hoc manner some time after an experiment. In this article, we introduce the Delta framework that facilitates near real-time streaming analysis of big and fast fusion data. By streaming measurement data from fusion experiments to a high-performance compute center, Delta allows computationally expensive data analysis tasks to be performed in between plasma pulses. This article describes the modular and expandable software architecture of Delta and presents performance benchmarks of individual components as well as of an example workflow. Focusing on a streaming analysis workflow where electron cyclotron emission imaging (ECEi) data is measured at KSTAR on the National Energy Research Scientific Computing Center's (NERSC's) supercomputer we routinely observe data transfer rates of about 4 Gigabit per second. In NERSC, a demanding turbulence analysis workflow effectively utilizes multiple nodes and graphical processing units and executes them in under 5 min. We further discuss how Delta uses modern database systems and container orchestration services to provide web-based real-time data visualization. For the case of ECEi data we demonstrate how data visualizations can be augmented with outputs from machine learning models. Here, by providing session leaders and physics operators, results of higher-order data analysis using live visualizations may make more informed decisions on how to configure the machine for the next shot.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2025

Investigation of radiated-power for low aspect ratio fusion plasmas

Investigating radiated power in fusion plasmas is of utmost importance to understand the effect of undesired impurities, such as metals, in present devices, or also desired impurities, such as noble gasses, to purposefully radiate a large fraction of power in future devices. These studies are especially important for high Z impurities which will play a crucial role in future generation fusion pilot plants. In this work, we have developed a power radiation analysis module, which is used to investigate 2D distributions of impurity densities and radiated power asymmetries caused due to both plasma rotation and the cooling rate dependence on temperature profile for the cases of experimental NSTX plasmas and designed scenarios for the spherical tokamak advanced reactor (STAR), both being low aspect ratio tokamaks. Two different atomic databases have been tested during this work to study their impact on the radiated power distribution, especially for high Z impurities. Also in PRAM, self-consistent calculations of two-dimensional electron, main ion, and impurity ion densities are carried out using one-dimensional input density, temperature, and rotation profiles. In the case of NSTX, discharges with high rotation of ∼ 170 km s, measured with charge exchange recombination spectroscopy, have been investigated. Rotation-induced charge separation, leading to an electrostatic potential, is calculated iteratively to a self-consistent solution while testing high Z impurities to observe any 2D asymmetry in the core radiated power due to centrifugal forces. The STAR design, being much larger (R = 4 m), is projected to have a much lower rotation, and is shown to have low rotation-induced asymmetries, on the order of ten percent or less, between the low field and high field sides. However, another effect not due to rotation but to the dependence of impurity cooling rates on temperature can lead to radiation peaking off-axis, near the plasma edge. This effect is noticeable for argon in NSTX, for example, but can also be enhanced for certain impurities at much higher temperatures projected for STAR (T e0 ~ 32 keV), for example for undesired tungsten or possibly desired xenon.

NSTX↗
DOE OSTI2020

Key Questions for the Quantum Machine Learner to Ask Themselves

Within the last several years quantum machine learning (QML) has begun to mature; however, many open questions remain. Rather than review open questions, in this perspective piece I will discuss my view about how we should approach problems in QML. In particular I will list a series of questions that I think we should ask ourselves when developing quantum algorithms for machine learning. These questions focus on what the definition of quantum ML is, what is the proper quantum analogue of QML algorithms is, how one should compare QML to traditional ML and what fundamental limitations emerge when trying to build QML protocols. As an illustration of this process I also provide information theoretic arguments that show that amplitude encoding can require exponentially more queries to a quantum model to determine membership of a vector in a concept class than classical bit-encodings would require; however, if the correct analogue is chosen then both the quantum and classical complexities become polynomially equivalent. This example underscores the importance of asking ourselves the right questions when developing and benchmarking QML algorithms.

Wiebe, Nathan O.↗
DOE OSTI2020

Strong surface magnetic field generation in relativistic short pulse laser–plasma interaction with an applied seed magnetic field

Abstract While plasma often behaves diamagnetically, we demonstrate that the laser irradiation of a thin opaque target with an embedded target-transverse seed magnetic field B seed can trigger the generation of an order-of-magnitude stronger magnetic field with opposite sign at the target surface. Strong surface field generation occurs when the laser pulse is relativistically intense and results from the currents associated with the cyclotron rotation of laser-heated electrons transiting through the target and the compensating current of cold electrons. We derive a predictive scaling for this surface field generation, B gen ∼ −2 πB seed Δ x / λ 0 (in the large spot size limit), where Δ x is the target thickness and λ 0 is the laser wavelength, and conduct 1D and 2D particle-in-cell simulations to confirm its applicability over a wide range of conditions. We additionally demonstrate that both the seed and surface-generated magnetic fields can have a strong impact on application-relevant plasma dynamics, for example substantially altering the overall expansion and ion acceleration from a μ m-thick laser-irradiated target with a kilotesla-level seed magnetic field.

Weichman, K. (ORCID:0000000234877922)↗
DOE OSTI2020

Minimal warm inflation

Slow-roll inflation is a successful paradigm. However we find that even a small coupling of the inflaton to other light fields can dramatically alter the dynamics and predictions of inflation. As an example, the inflaton can generically have an axion-like coupling to gauge bosons. Even relatively small couplings will automatically induce a thermal bath during inflation. The thermal friction from this bath can easily be stronger than Hubble friction, significantly altering the usual predictions of any particular inflaton potential. Thermal effects suppress the tensor-to-scalar ratio r significantly, and predict unique non-gaussianities. This axion-like coupling provides a minimal model of warm inflation which avoids the usual problem of thermal backreaction on the inflaton potential. As a specific example, we find that hybrid inflation with this axion-like coupling can easily fit the current cosmological data.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2025

The Simons Observatory: validation of reconstructed power spectra from simulated filtered maps for the small aperture telescope survey

We present a transfer function-based method to estimate angular power spectra from filtered maps for cosmic microwave background (CMB) surveys. This is especially relevant for experiments targeting the faint primordial gravitational wave signatures in CMB polarisation at large scales, such as the Simons Observatory (SO) small aperture telescopes. While timestreams can be filtered to mitigate the contamination from low-frequency noise, usual methods that calculate the mode coupling at individual multipoles can be challenging for experiments covering large sky areas or reaching few-arcminute resolution. The method we present here, although approximate, is more practical and faster for larger data volumes. We validate it through the use of simulated observations approximating the first year of SO data, going from half-wave plate-modulated timestreams to maps, and using simulations to estimate the mixing of polarisation modes induced by an example of time-domain filtering. We show its performance through an example null test and with an end-to-end pipeline that performs inference on cosmological parameters, including the tensor-to-scalar ratio r. The performance demonstration uses simulated observations at multiple frequency bands. We find that the method can recover unbiased parameters for our simulated noise levels.

CMBR experiments↗
DOE OSTI2020

A semi-supervised machine learning detector for physics events in tokamak discharges

Databases of physics events have been used in various fusion research applications, including the development of scaling laws and disruption avoidance algorithms, yet they can be time-consuming and tedious to construct. This paper presents a novel application of the label spreading semi-supervised learning algorithm to accelerate this process by detecting distinct events in a large dataset of discharges, given few manually labeled examples. A high detection accuracy (> 85%) for H-L back transitions and initially rotating locked modes is demonstrated on a dataset of hundreds of discharges from DIII-D with manually identified events for which only 3 discharges are initially labeled by the user. Lower yet reasonable performance (~75%) is also demonstrated for the core radiative collapse, an event with a much lower prevalence in the dataset. Additionally, analysis of the performance sensitivity indicates that the same set of algorithmic parameters is optimal for each event. Furthermore, this suggests that the method can be applied to detect a variety of other events not included in this paper, given that the event is well described by a set of 0D signals robustly available on many discharges. Procedures for analysis of new events are demonstrated, showing automatic event detection with increasing fidelity as the user strategically adds manually labeled examples. Detections on Alcator C-Mod and EAST are also shown, demonstrating the potential for this to be used on a multi-tokamak dataset.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2022

Stellarator coil optimization supporting multiple magnetic configurations

Abstract We present a technique that can be used to design stellarators with a high degree of experimental flexibility. For our purposes, flexibility is defined by the range of values the rotational transform can take on the magnetic axis of the vacuum field while maintaining satisfactory quasisymmetry. We show that accounting for configuration flexibility during the modular coil design improves flexibility beyond that attained by previous methods. Careful placement of planar control coils and the incorporation of an integrability objective enhance the quasisymmetry and nested flux surface volume of each configuration. We show that it is possible to achieve flexibility, quasisymmetry, and nested flux surface volume to reasonable degrees with a relatively simple coil set through an NCSX-like example. This example coil design is optimized to achieve three rotational transform targets and nested flux surface volumes in each magnetic configuration larger than the NCSX design plasma volume. Our work suggests that there is a tradeoff between flexibility, quasisymmetry, and volume of nested flux surfaces.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗