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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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All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

$\mathrm{BPS}$ coherent states and localization

We introduce coherent states averaged over a gauge group action to study correlators of half BPS states in $\mathcal{N}$= 4 SYM theory. The overlaps of these averaged coherent states are a generating function of correlators and can be written in terms of the Harish-Chandra-Itzykzon-Zuber (HCIZ) integral. We show that this formula immediately leads to a computation of the normalization of two point functions in terms of characters obtained originally in the work of Corley, Jevicki and Ramgoolam. We also find various generalizations for A n–1 quivers that follow directly from other solvable integrals over unitary groups. All of these can be computed using localization methods. When we promote the parameters of the generating function to collective coordinates, there is a dominant saddle that controls the effective action of these coherent states in the regime where they describe single AdS giant gravitons. We also discuss how to add open strings to this formulation. These will produce calculations that rely on correlators of matrix components of unitaries in the ensemble that is determined by the HCIZ integral to determine anomalous dimensions. We also discuss how sphere giants arise from Grassman integrals, how one gets a dominant saddle and how open strings are added in that case. The fact that there is a dominant saddle helps to understand how a 1/N expansion arises for open strings. We generalize the coherent state idea to study 1/4 and 1/8 BPS states as more general integrals over unitary groups.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2021

Nonequilibrium optical response of a one-dimensional Mott insulator

We define, compute, and analyze the nonequilibrium differential optical conductivity of the one-dimensional extended Hubbard model at half-filling after applying a pump pulse, using the time-dependent density matrix renormalization group method. The melting of the Mott insulator is accompanied by a suppression of the local magnetic moment and ensuing photogeneration of doublon-holon pairs. The differential optical conductivity reveals (i) mid-gap states related to parity-forbidden optical states and (ii) strong renormalization and hybridization of the excitonic resonance and the absorption band, yielding a Fano resonance. We offer evidence and interpret such a resonance as a signature of nonequilibrium optical excitations resembling excitonic strings, (bi)excitons, and unbound doublon-holon pairs, depending on the magnitude of the intersite Coulomb repulsion. We discuss our results in the context of pump and probe spectroscopy experiments on organic Mott insulators.

1-dimensional systems↗
DOE OSTI2024

Results from extended range SRF cavity tuner tests for LCLS-II-HE

The LCLS-II HE superconducting linac can produce multi-energy beams by supporting multiple undulator lines simultaneously. This could be achieved by using the cavity SRF tuner in the off-frequency detune mode. This off-frequency operation method was tested in 8 cryomodules at Fermilab at 2 K. In all the tests the tuners successfully achieved a frequency shift of -565±80 kHz from the 1.3 GHz value. This study discusses the cavity frequency during each stage of assembly from the cryomodule string to when they are finally tested at 2 K. Monitoring the cavity frequency from this initial stage contributed in reaching this large frequency shift. The specific procedures of tuner setting during assembly will be presented.

43 PARTICLE ACCELERATORS↗
DOE OSTI2021

Solving puzzles in deformed JT gravity: phase transitions and non-perturbative effects

Recent work has shown that certain deformations of the scalar potential in Jackiw-Teitelboim gravity can be written as double-scaled matrix models. However, some of the deformations exhibit an apparent breakdown of unitarity in the form of a negative spectral density at disc order. We show here that the source of the problem is the presence of a multi-valued solution of the leading order matrix model string equation. While for a class of deformations we fix the problem by identifying a first order phase transition, for others we show that the theory is both perturbatively and non-perturbatively inconsistent. Aspects of the phase structure of the deformations are mapped out, using methods known to supply a non-perturbative definition of undeformed JT gravity. Some features are in qualitative agreement with a semi-classical analysis of the phase structure of two-dimensional black holes in these deformed theories.

2D gravity↗
DOE OSTI2023

IDAES-PSE 2.1.0 Release

The Institute for the Design of Advanced Energy Systems (IDAES) Integrated Platform is a versatile computational environment offering extensive process systems engineering (PSE) capabilities for optimizing the design and operation of complex, interacting technologies and systems. IDAES enables users to efficiently search vast, complex design spaces to discover the lowest cost, most environmentally sustainable solutions while supporting the full process modeling lifecycle, from conceptual design to dynamic optimization and control. The extensible, open platform empowers users to create models of novel processes and rapidly develop custom analyses, workflows, and end-user applications. IDAES-PSE 2.1.0 Release Highlights New IDAES Examples Repository Starting with this release, the IDAES examples are developed in the new IDAES/examples repository. Along with many content and usability improvements, the most significant changes are: To install the examples, after installing IDAES, run pip install idaes-examples The idaes get-examples command, previously used for this, has been removed The HTML version is now available at https://idaes-examples.readthedocs.io The previous URL, https://idaes.github.io/examples-pse, will not be updated and may be removed at some point in the future For more details, refer to the resources available at IDAES/examples. Removal of Non-Functional Apps A review of the code in the idaes/apps and idaes/models_extra folders was undertaken, and a number of tools were identified as being outdated or non-functional and no longer supported by their development teams. Due to this, the following tools have been removed: idaes/apps/alamopy_depr (note that the new ALAMOpy interface remains avaialble in idaes/core/surrogates) idaes/apps/helmet idaes/apps/ripe idaes/apps/roundingRegression idaes/models_extra/carbon_capture Pyomo 6.6 This version of IDAES is the first requiring Pyomo 6.6. This version of Pyomo contains multiple internal improvements and refactorings. While for the majority of cases this should have positive or no impact on solvability of IDAES models, we are aware of a small number of models that have been affected as a result of these changes. For more information, refer to the Pyomo 6.6.1 release notes. Other highlights Model Initialization A prototype API for a new approach to initializing IDAES models is now available which makes available some new techniques for initializing models. This is documented in the Initializing Models Reference Guide Modular Properties Framework Support for some transport properties Helmholtz Equation of State properties Better error checking for case where unit models are set to include phase equilibrium but the property package is set to support only a single phase Multi-Stream Contactor model: a new base model for systems involving contacting of two or more streams with mass transfer. This model is intended to be used as the foundation for models such as membrane separators, solvent extraction and other similar processes. This is documented in the Multi-Stream Contactor Reference Guide idaes/models_extra/power_generation report() methods for unit models using Helmholtz equation of state General Code Maintenance Streamlining of dependencies and creation of new optional dependency groupings to support non-core tools General linting of codebase to ensure compliance with most pylint checks Spell checking of all code and doc strings Removal of backward compatibility code for Python 2

IDAES↗
DOE OSTI2016

Photovoltaic Shading Testbed for Module-Level Power Electronics: 2016 Performance Data Update

The 2012 NREL report 'Photovoltaic Shading Testbed for Module-Level Power Electronics' provides a standard methodology for estimating the performance benefit of distributed power electronics under partial shading conditions. Since the release of the report, experiments have been conducted for a number of products and for different system configurations. Drawing from these experiences, updates to the test and analysis methods are recommended. Proposed changes in data processing have the benefit of reducing the sensitivity to measurement errors and weather variability, as well as bringing the updated performance score in line with measured and simulated values of the shade recovery benefit of distributed PV power electronics. Also, due to the emergence of new technologies including sub-module embedded power electronics, the shading method has been extended to include power electronics that operate at a finer granularity than the module level. An update to the method is proposed to account for these emerging technologies that respond to shading differently than module-level devices. The partial shading test remains a repeatable test procedure that attempts to simulate shading situations as would be experienced by typical residential or commercial rooftop photovoltaic (PV) systems. Performance data for multiple products tested using this method are discussed, based on equipment from Enphase, Solar Edge, Maxim Integrated and SMA. In general, the annual recovery of shading losses from the module-level electronics evaluated is 25-35%, with the major difference between different trials being related to the number of parallel strings in the test installation rather than differences between the equipment tested. Appendix D data has been added in this update.

14 SOLAR ENERGY↗
DOE OSTI2023

Uncovering novel liquid organic hydrogen carriers: a systematic exploration of chemical compound space using cheminformatics and quantum chemical methods

We present a comprehensive, in silico-based discovery approach to identifying novel liquid organic hydrogen carrier (LOHC) candidates using cheminformatics methods and quantum chemical calculations. We screened over 160 billion molecules from ZINC15 and GDB-17 chemical databases for structural similarity to known LOHCs and employed a data-driven selection criterion connecting molecular features with dehydrogenation enthalpy. This scoring criterion effectively predicts dehydrogenation enthalpies from SMILES strings, streamlining the LOHC screening process. After rigorous screening and down-selection, we compiled a database of 3000 dehydrogenation reactions for the most promising LOHC candidates, setting the stage for future selection based on kinetics and catalysis. This work demonstrates the significant impact of integrating quantum chemistry and cheminformatics in materials discovery, accelerating the selection process while reducing experimental efforts and time. By proposing new molecules as prospective LOHC candidates, our study provides a valuable resource for researchers and engineers in the development of advanced LOHC systems and showcases a successful approach for high-throughput discovery, contributing to more efficient and sustainable energy storage solutions.

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

Measurements of multiplicity fluctuations of identified hadrons in inelastic proton–proton interactions at the CERN Super Proton Synchrotron

Measurements of multiplicity fluctuations of identified hadrons produced in inelastic p+p interactions at 31, 40, 80, and 158 $\text {Ge}\text {V}/c$ beam momentum are presented. Three different measures of multiplicity fluctuations are used: the scaled variance $\omega $ and strongly intensive measures $\Sigma $ and $\Delta $. These fluctuation measures involve second and first moments of joint multiplicity distributions. Data analysis is preformed using the Identity method which corrects for incomplete particle identification. Strongly intensive quantities are calculated in order to allow for a direct comparison to corresponding results on nucleus–nucleus collisions. The results for different hadron types are shown as a function of collision energy. A comparison with predictions of string-resonance Monte-Carlo models: Epos, Smash and Venus, is also presented.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2022

Tests Of The Extended Range SRF Cavity Tuners For The LCLS-II-HE Project*

The LCLS-II HE superconducting linac can produce multi-energy beams by supporting multiple undulator lines simultaneously. This could be achieved by using the cavity SRF tuner in the off-frequency detune mode. This off-frequency operation method was tested in the verification cryomodule (vCM) and CM 1 at Fermilab at 2 K. In both cases, the tuners achieved a frequency shift of -565$\pm$80 kHz. This study will discuss cavity frequency during each step as it is being assembled in the cryomodule string and finally when it is being tested at 2 K. Tracking the cavity frequency helped enable the tuners to reach this large frequency shift. The specific procedures of tuner setting during assembly will be presented.

43 PARTICLE ACCELERATORS↗
DOE OSTI2018

Standardized beamline particulate characterization analysis: Initial application to CEBAF and LCLS-II cryomodule components

Despite continuously evolving efforts to minimize and manage the occurrence of particulates in operational SRF accelerator systems, the presence of electron field emission from contaminating particulates on SRF surfaces with high surface electric fields remains a consistent challenge. Jefferson Lab has recently initiated a standardized particulate sampling and characterization practice in order to gain more specific and systematic knowledge of the particulates actually present. It is expected that patterns emerging from such sampling will strengthen source attribution and guide improvement efforts. Initial samples were gathered from a cryomodule and adjoining warm girders that were removed from the CEBAF tunnel for reprocessing. The collection and analysis techniques were also used to characterize particulates on the inside of LCLS-II string components. Samples are transferred to clean industry-standard forensic GSR carbon tape spindles and examined via automated cleanroom SEM scanning for particle localization trends and sizing. The particulates are subsequently analyzed with EDS for elemental composition. A catalogue of found particle types is being accumulated. The methods used and results obtained from these initial applications will be presented.

Reece, Charles↗
DOE OSTI2018

A Bayesian Approach to Predict Solubility Parameters

Abstract Solubility is a ubiquitous phenomenon in many aspects of material science. While solubility can be determined by considering the cohesive forces in a liquid via the Hansen solubility parameters (HSP), quantitative structure–property relationship models are often used for prediction, notably due to their low computational cost. Here, gpHSP, an interpretable and versatile probabilistic approach to determining HSP, is reported. Our model is based on Gaussian processes, a Bayesian machine learning approach that provides uncertainty bounds to prediction. gpHSP achieves its flexibility by leveraging a variety of input data, such as SMILES strings, COSMOtherm simulations, and quantum chemistry calculations. gpHSP is built on experimentally determined HSP, including a general solvents set aggregated from the literature, and a polymer set experimentally characterized by this group of authors. In all sets, a high degree of agreement is obtained, surpassing well‐established machine learning methods. The general applicability of gpHSP to miscibility of organic semiconductors, drug compounds, and in general solvents is demonstrated, which can be further extended to other domains. gpHSP is a fast and accurate toolbox, which could be applied to molecular design for solution processing technologies.

Sanchez‐Lengeling, Benjamin↗
DOE OSTI2018

Toward precision holography in type IIA with Wilson loops

We study the one-loop effective action of certain classical type IIA string configurations in AdS 4 × CP 3 . These configurations are dual to Wilson loops in the N = 6 U( N ) k × U( N ) –k Chern-Simons theory coupled to matter whose expectation values are known via supersymmetric localization. We compute the one-loop effective actions using two methods: perturbative heat kernel techniques and full ζ-function regularization. We find that the result of the perturbative heat kernel method matches the field theory prediction at the appropriate order while the ζ-function approach seems to lead to a disagreement.

't Hooft and Polyakov loops↗
DOE OSTI2018

A multipole-expanded effective field theory for vortex ring-sound interactions

The low-energy dynamics of a zero temperature superfluid or of the compressional modes of an ordinary fluid can be described by a simple effective theory for a scalar field — the superfluid ‘phase’. However, when vortex lines are present, to describe all interactions in a local fashion one has to switch to a magnetic-type dual two-form description, which comes with six degrees of freedom (in place of one) and an associated gauge redundancy, and is thus considerably more complicated. Here we show that, in the case of vortex rings and for bulk modes that are much longer than the typical ring size, one can perform a systematic multipole expansion of the effective action and recast it into the simpler scalar field language. In a sense, in the presence of vortex rings the non-single valuedness of the scalar can be hidden inside the rings, and thus out of the reach of the multipole expansion. As an application of our techniques, we compute by standard effective field theory methods the sound emitted by an oscillating vortex ring.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2022

Helmholtz vibrations in bowed strings

We report for almost 160 years, it has been known that Helmholtz oscillations, unique to vibrating strings in bowed instruments (violin, cello, etc.), have two distinct regimes: “slip” and “stick.” During the slip regime, the force at the bow-string interaction is attributed to friction between the sliding bow hair and the vibrating string, with a friction coefficient that decreases with increasing relative velocity. Yet the hair-string interaction during the stick regime is less understood. We propose that the interaction force during the stick regime is proportional to the product of the longitudinal acoustic impedance of the bow hair to the relative bow-string velocity. We validate this hypothesis by solving the string's differential equation of motion, including an enhanced formulation to avoid parasitic high-frequency oscillations. This physical model enables us to analyze, in real time, the characteristics of the Helmholtz oscillations, including the string shape, excitation of harmonics, Schelleng ripples, and string energy, showing that the bowed string gains energy during the stick regime and loses energy during the slip regime.

36 MATERIALS SCIENCE↗
DOE OSTI2016

Methods for Finding Legacy Wells in Residential and Commercial Areas

In 1919, the enthusiasm surrounding a short-lived gas play in Versailles Borough, Pennsylvania resulted in the drilling of many needless wells. The legacy of this activity exists today in the form of abandoned, unplugged gas wells that are a continuing source of fugitive methane in the midst of a residential and commercial area. Flammable concentrations of methane have been detected near building foundations, which have forced people from their homes and businesses until methane concentrations decreased. Despite mitigation efforts, methane problems persist and have caused some buildings to be permanently abandoned and demolished. This paper describes the use of magnetic and methane sensing methods by the National Energy Technology Laboratory (NETL) to locate abandoned gas wells in Versailles Borough where site access is limited and existing infrastructure can interfere. Here, wells are located between closely spaced houses and beneath buildings and parking lots. Wells are seldom visible, often because wellheads and internal casing strings have been removed, and external casing has been cut off below ground level. The magnetic survey of Versailles Borough identified 53 strong, monopole magnetic anomalies that are presumed to indicate the locations of steel-cased wells. This hypothesis was tested by excavating the location of one strong, monopole magnetic anomaly that was within an area of anomalous methane concentrations. The excavation uncovered an unplugged gas well that was within 0.2 m of the location of the maximum magnetic signal. Truck-mounted methane surveys of Versailles Borough detected numerous methane anomalies that were useful for narrowing search areas. Methane sources identified during truck-mounted surveys included strong methane sources such as sewers and methane mitigation vents. However, inconsistent wind direction and speed, especially between buildings, made locating weaker methane sources (such as leaking wells) difficult. Walking surveys with the methane detector mounted on a cart or wagon were more effective for detecting leaking wells because the instrument’s air inlet was near the ground where: 1) the methane concentration from subsurface sources (including wells) was a maximum, and 2) there was less displacement of methane anomalies from methane sources by air currents. The Versailles Borough survey found 15 methane anomalies that coincided with the location of well-type magnetic anomalies; the methane sources for these anomalies were assumed to be leaking wells. For abandoned well locations where the wellhead and all casing strings have been removed and there is no magnetic anomaly, leaking wellbores can sometimes be detected by methane surveys. Unlike magnetic anomalies, methane anomalies can be: 1) ephemeral, 2) significantly displaced from the well location, and 3) from non-well sources that cannot be discriminated without isotopic analysis. If methane surveys are used for well location, the air inlet to the instrument should be kept as close to the ground as possible to minimize the likelihood of detecting methane from distant, wind-blown sources.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2020

Model of Operation-and-Maintenance Costs for Photovoltaic Systems

This article presents a method for calculating costs associated with operation and maintenance (O&M) of photovoltaic (PV) systems. It compiles details regarding the cost and frequency of multiple O&M services to estimate annual O&M costs ($\$$/year) for each year of an analysis period, the net present value ($\$$) of life cycle costs accumulated over the analysis period, and the reserve account amount ($\$$). Here we show that this method is an improvement over the previous averaged or levelized per-unit ($\$$/kW/year) valuations for estimating PV O&M costs, because it allows a detailed selection of services to perform based on system size, market served (e.g., residential, commercial, or utility), type and configuration of system components (e.g., micro-, string or central inverter) and site and environmental conditions (e.g., snow, pollen, bird populations). This model also distinguishes costs that vary from year to year and increase at different rates over time because of heuristic failure distributions (e.g. Weibull or Lognormal distribution) based on actuarial data for many of the services. This cost model was created by the PV O&M Working Group of researchers and industry, sponsored by DOE Solar Energy Technologies Office, and has been published in an on-line version hosted by SunSpec Alliance at apsuite.sunspec.org. A spreadsheet version is included with this paper as supplementary material.

14 SOLAR ENERGY↗
DOE OSTI2016

Centrality and multiparticle production in ultrarelativistic nuclear collisions

A critical analysis of methods for selecting central events in high-energy proton–nucleus (pA) and nucleus–nucleus (AA) collisions is presented. A sample of event classes in which background fluctuations associated with the dispersion of the impact parameter of each event or the number of participant nucleons are minimal is examined. At the SPS and LHC energies, the numbers of nucleon–nucleon collisions are estimated with the aid of the Monte Carlo event generators HIJING and AMPT, which take into account energy–momentum conservation, and on the basis of a non-Glauber model involving string fusion and a modified Glauber model. The results obtained in this way demonstrate the need for revising the extensively used application of the Glauber model in normalizing multiplicity yields in experimental data on pA and AA collisions in the soft region of the spectrum.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2020

Search for high mass dijet resonances with a new background prediction method in proton-proton collisions at $\sqrt{s} =$ 13 TeV

A search for narrow and broad resonances with masses greater than 1.8 TeV decaying to a pair of jets is presented. The search uses proton-proton collision data at $ \sqrt{s} $ = 13 TeV collected at the LHC, corresponding to an integrated luminosity of 137 fb$^{−1}$. The background arising from standard model processes is predicted with the fit method used in previous publications and with a new method. The dijet invariant mass spectrum is well described by both data-driven methods, and no significant evidence for the production of new particles is observed. Model independent upper limits are reported on the production cross sections of narrow resonances, and broad resonances with widths up to 55% of the resonance mass. Limits are presented on the masses of narrow resonances from various models: string resonances, scalar diquarks, axigluons, colorons, excited quarks, color-octet scalars, W′ and Z′ bosons, Randall-Sundrum gravitons, and dark matter mediators. The limits on narrow resonances are improved by 200 to 800 GeV relative to those reported in previous CMS dijet resonance searches. The limits on dark matter mediators are presented as a function of the resonance mass and width, and on the associated coupling strength as a function of the mediator mass. These limits exclude at 95% confidence level a dark matter mediator with a mass of 1.8 TeV and width 1% of its mass or higher, up to one with a mass of 4.8 TeV and a width 45% of its mass or higher.[graphic not available: see fulltext]

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗