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DOE OSTI2023

Dipole condensates in tilted Bose-Hubbard chains

Here we study the quantum phase diagram of a Bose-Hubbard chain whose dynamics conserves both a boson number and boson dipole moment, a situation which can arise in strongly tilted optical lattices. The conservation of the dipole moment has a dramatic effect on the phase diagram, which we analyze by combining a field theory analysis with DMRG simulations. In the thermodynamic limit, the phase diagram is dominated by various types of incompressible dipolar condensates. In finite-sized systems, however, it may be possible to stabilize a Bose-Einstein insulator: an exotic compressible phase which is insulating, despite the absence of a charge gap. We suggest several ways by which these exotic phases can be identified in near-term cold-atom experiments.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

NASA NTRS2008

CEOS SEO and GISS Meeting

The Committee on Earth Observation Satellites (CEOS) provides a brief to the Goddard Institute for Space Studies (GISS) regarding the CEOS Systems Engineering Office (SEO) and current work on climate requirements and analysis. A "system framework" is provided for the Global Earth Observation System of Systems (GEOSS). SEO climate-related tasks are outlined including the assessment of essential climate variable (ECV) parameters, use of the "systems framework" to determine relevant informational products and science models and the performance of assessments and gap analyses of measurements and missions for each ECV. Climate requirements, including instruments and missions, measurements, knowledge and models, and decision makers, are also outlined. These requirements would establish traceability from instruments to products and services allowing for benefit evaluation of instruments and measurements. Additionally, traceable climate requirements would provide a better understanding of global climate models.

Killough, Brian↗

NASA NTRS2023

A Tool for Defining Tow-Steered Laminates for Finite Element Grids

Tailoring of composite laminates is traditionally performed by changing the orientation of straight fibers in one or more plies. Modern automated fiber placement machines facilitate placement of bundles of curved fibers (tows) in a process called tow-steering, but additional variables must be used to define the shapes of tow-steered fiber paths. In this paper, a Python-based tool, called Automated Tool for Steered COmposite Optimizable Laminates (ATSCOOL), is presented for modeling steered tows as chains of circular arcs. The geometry for defining tow path shapes using four input variables is described. The formulae for determining gaps and overlaps between clusters of consecutive tows, called courses, and for determining the number of steered courses needed to cover a rectangular panel are presented. Graphical representation of courses and thickness distribution in an example panel using the ATSCOOL software are presented. Finally, an example of a finite element analysis performed using the property information output from ATSCOOL is shown.

finite element analysis↗

DOE OSTI2020

A Generic Advanced Computing Framework for Executing Windows-based Dynamic Contingency Analysis Tool in Parallel on Cluster Machines

Dynamic contingency analysis tool (DCAT) has been developed to assess the impact and likelihood of extreme contingencies and potential cascading events across their systems and interconnections. By including more customized protection models and corrective actions into the Windows-based commercial tools, DCAT can help operators understand the cascading behavior and find mitigation approaches to reduce the risk of cascading outages in a more realistic manner. In order to further enhance the capability of DCAT, this paper presents a design of an advanced computing framework that enables DCAT to run on a cluster machine to improve its computational performance. This framework is generic and can be applied to other Windows-based simulation tools to fill the technical gap of applying advanced computing technology to vendors' Windows-based tools. The preliminary tests using medium to large power systems have shown the effectiveness of this framework and its potential for accelerating the adoption of advanced computing in utilities.

Advanced computing, dynamic contingency analysis, ↗

NASA NTRS2014

Full-Envelope Launch Abort System Performance Analysis Methodology

The implementation of a new dispersion methodology is described, which dis-perses abort initiation altitude or time along with all other Launch Abort System (LAS) parameters during Monte Carlo simulations. In contrast, the standard methodology assumes that an abort initiation condition is held constant (e.g., aborts initiated at altitude for Mach 1, altitude for maximum dynamic pressure, etc.) while dispersing other LAS parameters. The standard method results in large gaps in performance information due to the discrete nature of initiation conditions, while the full-envelope dispersion method provides a significantly more comprehensive assessment of LAS abort performance for the full launch vehicle ascent flight envelope and identifies performance "pinch-points" that may occur at flight conditions outside of those contained in the discrete set. The new method has significantly increased the fidelity of LAS abort simulations and confidence in the results.

Aubuchon, Vanessa V.↗

DOE OSTI2025

Unraveling the Mechanism of Interfacial Charge Transfer and Photoresponsivity of WS 2 Quantum Dots/MoS 2 (0D–2D) Heterostructure-Based Transistors

To assess the efficacy of a mixed-dimensional van der Waals (vdW) heterostructure in modulating the optoelectronic responses of nanodevices, the charge transport properties of the transition-metal dichalcogenide (TMD)-based heterostructure comprising zero-dimensional (0D) WS 2 quantum dots (QDs) and two-dimensional (2D) MoS 2 flakes are critically analyzed. Herein, a facile strategy was materialized in developing an atomically thin phototransistor assembled from mechanically exfoliated MoS 2 and WS 2 QDs synthesized using a one-pot hydrothermal route. The amalgamated photodetectors exhibited a high responsivity of ∼8000 A/W at an incident power of 0.05 nW of white light, surpassing that of the pristine MoS 2 devices. Furthermore, the detectivity of pristine MoS 2 , which was on the order of 10 10 , increased to 10 12 Jones for the WS 2 QDs/MoS 2 heterostructure photodetector, outperforming other WS 2 -based materials. The quasiparticle band gap and density of states (DOS) are further analyzed to elucidate the photophysics of the WS 2 QD/MoS 2 hybrid assembly. The difference in the work function between MoS 2 and WS 2 QDs gives rise to an electric field across the 0D–2D interface, facilitating effective charge separation and migration and contributing to the enhancement of photoresponsivity. The analysis of optical responses using density functional theory (DFT) revealed stronger absorption and less reflection over a broader spectrum of wavelengths for the heterostructure compared to the pristine materials. The estimated optical conductivity aligns well with the experimentally predicted maximum photoresponsivity under visible light, which is attributed to the high absorbance of 2D MoS 2 . In conclusion, combining diverse spectroscopic and imaging techniques with quantum simulation provides insights that clarify the pertinence of 0D–2D TMDs in designing phototransistors.

WS2 QDs/MoS2 heterostructure↗

DOE OSTI2021

Proton pairing in neutron stars from chiral effective field theory

Here, we study the 1 S 0 proton pairing gap in beta-equilibrated neutron star matter within the framework of chiral effective field theory. We focus on the role of three-body forces, which strongly modify the effective proton-proton spin-singlet interaction in dense matter. We find that three-body forces generically reduce both the size of the pairing gap and the maximum density at which proton pairing may occur. The pairing gap is computed within BCS theory using a single-particle dispersion relation calculated up to second order in perturbation theory. Model uncertainties are estimated by varying the nuclear potential (its order in the chiral expansion and high-momentum cutoff) and the choice of single-particle spectrum in the gap equation. We find that a second-order perturbative treatment of the single-particle spectrum suppresses the proton 1 S 0 pairing gap relative to the use of a free spectrum. We estimate the critical temperature for the onset of proton superconductivity to be T c = (3:2–5:1) 10 9 K, which is consistent with previous theoretical results in the literature and marginally within the range deduced from a recent Bayesian analysis of neutron star cooling observations.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

DOE OSTI2024

Early Exploration of a Flexible Framework for Efficient Quantum Linear Solvers in Power Systems

The rapid integration of renewable energy resources presents formidable challenges in managing power grids. While advanced computing and machine learning techniques offer some solutions for accelerating grid modeling and simulation, there remain complex problems that classical computers cannot effectively address. Quantum computing, a promising technology, has the potential to fundamentally transform how we manage power systems, especially in scenarios with a higher proportion of renewable energy sources. One critical aspect is solving linear systems of equations, crucial for power system applications like power flow analysis, for which the Harrow-Hassidim-Lloyd (HHL) algorithm is a well-known quantum solution. However, HHL quantum circuits often exhibit excessive depth, making them impractical for current Noisy-Intermediate-Scale-Quantum (NISQ) devices. In this paper, we introduce a versatile framework, powered by NWQSim, that bridges the gap between power system applications and quantum linear solvers available in Qiskit. This framework empowers researchers to efficiently explore power system applications using quantum linear solvers. Through innovative gate fusion strategies, reduced circuit depth, and GPU acceleration, our simulator significantly enhances resource efficiency. Power flow case studies have demonstrated up to a eight-fold speedup compared to Qiskit Aer, all while maintaining comparable levels of accuracy.

quantum computing, Harrow-Hassidim-Lloyd, high-per↗

DOE OSTI2024

Community Public Mobility Using On-Demand, Low-Speed Electric Vehicles: A Case Study in Downtown St. Louis, Missouri

Legacy fixed route transit systems designed to serve commuters struggle to provide efficient and effective service for short neighborhood trips and for population groups unable to access and egress transit stops using active modes (e.g., elderly, disabled). Neighborhood on-demand transit (ODT) services using low-speed electric vehicles (LSEV) are an innovative technological solution that can help fill this gap in service (e.g., short, high-frequency trips) for diverse populations and trip types. This study evaluated user characteristics and travel behavior for a neighborhood ODT service (using LSEVs) in downtown St. Louis, Missouri using responses from a community survey (n=244), ridership data, and vehicle trajectory information. A comparative analysis between neighborhood ODT, fixed route transit, and transportation network companies (TNC) was also conducted from the perspectives of total travel time, cost, and greenhouse gas emissions. Ultimately, the goal of the analysis was to motivate and inform holistic public mobility systems where different services are optimized to meet specific community needs. Findings indicate that the neighborhood ODT was effective at reaching diverse populations (elderly (20%), lower income (27%), and households with limited access to private vehicles (34%)). ODT reduced total travel time by 32% compared to fixed route transit, produced 2.4 - 4.3 times less greenhouse gas emissions per passenger mile (compared to transit and TNCs), and was more affordable (free to users) than alternative options ($1 for transit, $10-12 for TNCs). Overall satisfaction rates were high, with 80% of respondents rating the service a 4 or 5 out of 5.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗

DOE OSTI2021

Multiscale Characterization of the Caney Shale — An Emerging Play in Oklahoma

From a hydrocarbon perspective, the Caney Shale has historically been evaluated as a sealing unit, which resulted in limited studies characterizing the rock properties of the Caney Shale and its suitability for hydraulic fracturing. The objective of our research is to help bridge the current knowledge gap through the integration of multiscale laboratory techniques and to characterize the macro- and microscale rock properties of the Caney Shale. We employed an integrated approach for the characterization of the Caney using 200 ft (61 m) of Caney core from a target well in southern Oklahoma. Core observation and petrographic analysis of thin sections were combined to characterize the general rock types and associated fabrics and textures. Mineralogical composition, pore system architecture, and rock fabric were analyzed using x-ray diffraction (XRD), scanning electron microscopy/energy dispersive x-ray spectroscopy (SEM/EDS), and focused ion beam (FIB)-SEM. In addition, rebound hardness and indentation testing were carried out to determine rock hardness (brittleness) and elasticity, respectively. With the integrated multiscale characterization, three mixed carbonate-siliciclastic rock types were identified — mudstone, calcareous siltstone, and silty carbonate — likely representing a spectrum of deposition from low to relatively high energy environments in the distal portions of a ramp system. Silty carbonate contains mostly interparticle pores. The calcareous siltstones and silty mudstones contain a combination of organic matter pores and interparticle pores. Each of the rock types shows unique mineralogical compositions based on XRD. The mudstone lithofacies has the highest clay content and the least carbonate content. Calcareous siltstones show moderate carbonate and clay content. Silty carbonate indicates the highest carbonate content with the least clay content. In an order of mudstone, calcareous siltstone, and silty carbonate, rebound hardness and Young’s modulus show an increasing trend. As a result of rock-fluid interactions, there are potential scaling reactions during completion and production that could ultimately affect permeability and production rates. Overall, the proposed multiscale integration approach is critical for the geologic characterization of most rocks. However, in shale reservoirs dominated by microporosity and microstructure where engineered fractures are expected to provide permeability at a reservoir scale, successful integration is essential. An optimized, integrated geological characterization of the Caney Shale that is well aligned with the engineering designs in drilling, completing, and producing wellbores will ultimately lead to optimal production while providing safe and environmentally responsible operations.

Wang, Yulun↗

DOE OSTI2025

FY25 Theory and Simulation Performance Target: Development of an integrated modeling framework for fusion reactor design and assessment (Final Report)

This report documents the FY25 Theory and Simulation Performance Target (TSPT) of developing an integrated modeling framework for fusion reactor design and assessment (FREDA). Over Q1-Q4, new capabilities were developed across both plasma and engineering domains and demonstrated on an example representation of a Compact Advanced Tokamak with a Dual Cooled Lead Lithium blanket. This represents a first-of-a-kind demonstration of coupled core-to-wall-to-engineering for a reactor. Self-consistent CESOL workflows were applied to provide core, pedestal, and SOL prediction; new modules were developed for energetic particle stability (FAR3D) and transport (TGLF-EP) analysis; and boundary plasma modeling (SOLPS-ITER, BOUT++/Hermes-3) was expanded to evaluate wall and divertor heat fluxes and interface with engineering thermal analysis. A parameterized CAD tool, TRACER, was expanded to generate medium-fidelity divertor, blanket, and coil geometries; OpenFOAM and Diablo workflows were applied for first-wall and divertor thermal analyses with helium cooling; and reduced-order models were created for high-mass-flux divertor cooling. Magnet multiphysics capabilities were verified between Elmer, Diablo, and a new MFEM-based solver, and workflows enable stress, thermal, and neutron-fluence analysis of TF coils with neutronics-driven heating. Nuclear and blanket analysis workflows were demonstrated, including tritium breeding, transport, and CFD-informed thermo-mechanical assessment. Preliminary multi-fidelity uncertainty quantification workflows were applied to boundary modeling codes and shown to achieve variance reductions with fewer high-fidelity boundary simulations. Key findings highlight the challenges of resolving the ITEP gap to find suitable balance between wall and divertor loads, neutron heating, and practical limits of PFC cooling. Next step priorities are to develop automated workflows to check boundary code convergence and detachment, implement tighter physics-engineering CAD provenance tracking, and inclusion of plasma-material interface models for SLAG and tungsten cracking behavior. Collectively, these developments establish sophisticated capabilities for predictive, multi-fidelity, whole-device modeling that integrates plasma physics, materials, magnets, and nuclear engineering to guide pathways to viable Fusion Pilot Plant design points.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2021

Structural Break and Causal Analyses of U.S. Corn Use for Ethanol and Other Corn Market Variables

The causal basis for many of the relationships in models used to estimate the indirect effects of U.S. biofuels on global agricultural markets has not been adequately established. This paper addresses this gap by examining causal interactions among corn market variables through which the indirect effects of U.S. corn use for ethanol would be transmitted. Specifically, structural break and causal analyses of U.S. corn supply, uses, trade, and price are performed using quarterly data for marketing years 1986 to 2017. The structural break analysis identifies three breaks in corn use for ethanol that reflect the policy-driven evolution of U.S. corn ethanol production and other market factors. The causality analysis finds that U.S. corn use for ethanol is not a driver of the corn price and net corn exports. Changes in corn supply and domestic corn use are found to be the key factors in accommodating the large increase in corn use for ethanol between 2003 and 2010. These results mean that common assumptions linking U.S. corn ethanol production to large reductions in corn availability and exports, and higher global corn prices merit reconsideration.

09 BIOMASS FUELS↗

NASA NTRS1986

Fault and Error Latency Under Real Workload: an Experimental Study

A practical methodology for the study of fault and error latency is demonstrated under a real workload. This is the first study that measures and quantifies the latency under real workload and fills a major gap in the current understanding of workload-failure relationships. The methodology is based on low level data gathered on a VAX 11/780 during the normal workload conditions of the installation. Fault occurrence is simulated on the data, and the error generation and discovery process is reconstructed to determine latency. The analysis proceeds to combine the low level activity data with high level machine performance data to yield a better understanding of the phenomena. A strong relationship exists between latency and workload and that relationship is quantified. The sampling and reconstruction techniques used are also validated. Error latency in the memory where the operating system resides was studied using data on the physical memory access. Fault latency in the paged section of memory was determined using data from physical memory scans. Error latency in the microcontrol store was studied using data on the microcode access and usage.

Chillarege, Ram↗

NASA NTRS1996

Design and Performance Improvements of the Prototype Open Core Flywheel Energy Storage System

A prototype magnetically suspended composite flywheel energy storage (FES) system is operating at the University of Maryland. This system, designed for spacecraft applications, incorporates recent advances in the technologies of composite materials, magnetic suspension, and permanent magnet brushless motor/generator. The current system is referred to as an Open Core Composite Flywheel (OCCF) energy storage system. This paper will present design improvements for enhanced and robust performance. Initially, when the OCCF prototype was spun above its first critical frequency of 4,500 RPM, the rotor movement would exceed the space available in the magnetic suspension gap and touchdown on the backup mechanical bearings would occur. On some occasions it was observed that, after touchdown, the rotor was unable to re-suspend as the speed decreased. Additionally, it was observed that the rotor would exhibit unstable oscillations when the control system was initially turned on. Our analysis suggested that the following problems existed: (1) The linear operating range of the magnetic bearings was limited due to electrical and magnetic saturation; (2) The inductance of the magnetic bearings was affecting the transient response of the system; (3) The flywheel was confined to a small movement because mechanical components could not be held to a tight tolerance; and (4) The location of the touchdown bearing magnifies the motion at the pole faces of the magnetic bearings when the linear range is crucial. In order to correct these problems an improved design of the flywheel energy storage system was undertaken. The magnetic bearings were re-designed to achieve a large linear operating range and to withstand load disturbances of at least 1 g. The external position transducers were replaced by a unique design which were resistant to magnetic field noise and allowed cancellation of the radial growth of the flywheel at high speeds. A central rod was utilized to ensure the concentricity of the magnetic bearings, the motor/generator, and the mechanical touchdown bearings. In addition, the mechanical touchdown bearings were placed at two ends of the magnetic bearing stack to restrict the motion at pole faces. A composite flywheel was made using a multi-ring interference assembled design for a high specific energy density. To achieve a higher speed and better efficiency, a permanent magnet DC brushless motor was specially designed and fabricated. A vacuum enclosure was constructed to eliminate windage losses for testing at high speeds. With the new improvements the OCCF system was tested to 20,000 RPM with a total stored energy of 15.9 WH and an angular momentum of 54.8 N-m-s (40.4 lb-ft-s). Motor current limitation, caused by power loss in the magnetic bearings, was identified as causing the limit in upper operating speed.

Pang, D.↗

NASA NTRS1995

Preparation and Thermoelectric Properties of IR(sub x)Co(sub 1-x)Sb(sub 2) Alloys

The preparation and characterization of the binary arsenopyrite compounds CoSb2 and IrSb2 and IrxCo1-xSb2 alloys is reported. Single crystals of CoSb2 were grown by the vertical gradient freeze technique from solution rich in antimony. Polycrystalline samples of IrSb2 and IrxCo1-xSb2 alloys were prepared by hot-pressing of prereacted elemental powders. Samples were investigated by X-ray diffractometry, microprobe analysis and density measurements. It was found that a range of solid solution exist in the system IrxCo1-xSb2 for 0.1<x<0.8. Samples were also characterized by high temperature electrical resistivity, Seebeck coefficient and thermal conductivity measurements. All materials have p-type conductivity and are semiconductors. A band gap of about 0.98 eV was calculated for IrSb2. Preliminary measurements of the thermoelectric properties of these materials showed that their potential for thermoelectric applications is limited.

Thermoelectric Properties↗

NASA NTRSDate not supplied

CFD Simulations of the IHF 13-Inch Nozzle Flow: 55° Sphere-Cone Model, Manufactured Fences and Gaps

This paper reports computational analyses of tests in a high enthalpy arc-jet facility at NASA Ames Research Center. These tests were conducted using 23.6-cm diameter, 55° sphere-cone models placed in a free jet downstream of the 33.0-cm diameter conical nozzle in the 60-MW Interaction Heating Facility. Some of the sphere-cone models include surface features such as manufactured fences and gaps intended to simulate effects of differential recession, all of which disturb the flow, producing augmented heating locally and downstream. Test calibration data were obtained using slug and Gardon gage stagnation calorimeters, and a sphere-cone calorimeter model with six Gardon heat flux gages and five pressure gages. The present analysis comprises computational fluid dynamics simulations of the nonequilibrium flowfield in the facility nozzle and test box, including the models tested, and comparisons with the experimental measurements. Various issues related to testing are considered: diffuser flow capture, flow characterization based on the calorimeter data, effects of the model surface recession, and prediction of surface quantities for the models with surface features. These simulations take into account nonuniform total enthalpy profiles at the nozzle inlet as well as the expansion waves emanating from the nozzle exit and their effects on the model flowfields.

Arc-jets↗

NASA NTRS2024

Tropical Cyclones in the GEOS-S2S-2 Subseasonal Forecasts

This paper analyzes the climatology, prediction skill, and predictability of tropical cyclones (TCs) in NASA’s Global Earth Observing System Subseasonal to Seasonal (GEOS-S2S) forecast system version 2. GEOS reasonably simulates the number and spatial distribution of TCs compared to observations except in the Atlantic where the model simulates too few TCs due to low genesis rates in the Caribbean Sea and Gulf of Mexico. The environmental conditions, diagnosed through a genesis potential index, do not clearly explain model biases in the genesis rates, especially in the Atlantic. At the storm-scale, GEOS reforecasts replicate several key aspects of the thermodynamic and dynamic structure of observed TCs, such as a warm core and the secondary circulation. The model, however, fails to simulate an off-center eyewall when evaluating vertical velocity, precipitation and moisture. The analysis of prediction skill of TC genesis and occurrence shows that GEOS has comparable skill to other global models in WMO S2S archive and that its skill could be further improved by increasing the ensemble size. After calibration, GEOS forecasts are skillful in the Western North Pacific and Southern Indian Ocean up to 20 days in advance. A model-based predictability analysis demonstrates the importance of the Madden-Julian Oscillation (MJO) as a source of predictability of TC occurrence beyond the 14 day lead-time. Forecasts initialized under strong MJO conditions show evidence of predictability beyond week 3. However, due to model biases in the forecast distribution there are notable gaps between MJO-related prediction skill and predictability which require further study.

Jorge L. Garcia-Franco↗

NASA NTRSDate not supplied

New Perspective On Slosh Dynamics in High-Gravity Regimes for Lunar Missions

Slosh dynamics particularly in high gravity regime is of high interest to the NASA Human Landing Systems program, which aims to return humans to the Moon. This paper reexamines the commonly accepted equivalence between pendulum and mass-spring-damper mechanical analogies, demonstrating the differences through simulations and their impact on design and analysis. This study re-derives equations of motion for these mechanical models including mass-spring-damper (MSD) and pendulum by relaxing simplifying assumptions that had been typically applied to large launch vehicles and may be violated for lunar and planetary landing applications. The newly derived equations uncovers potential modeling gaps when applying the pendulum and MSD models, and the need for additional considerations in their application. Finally, the newly derived equations are validated using MathWorks® Simscape™ Multibody™ dynamics toolbox simulation.

Slosh↗