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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 1,063 records · Page 59
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Modeling and control of nuclear–renewable integrated energy systems: Dynamic system model for green electricity and hydrogen production

The need for decarbonization and diversification of energy resources has led to the development of integrated energy systems (IESs), where multiple resources supply more than one energy sector. Here, one such IES with small modular nuclear reactors and renewables (wind and solar) as generating resources, catering to the demand of the electric grid while producing hydrogen for industries, is modeled in this paper. The physics-based component models are represented using the Modelica language and interconnected to form the IES. The control and coordination of the overall system are ensured by designing a suitable control architecture composed of individual subsystem-level controls and supervisory control. The dynamic performance and the load-following capability of the IES are evaluated, while satisfying the safe operational limits of the components. Different configurations and modes of IES operation are considered, where the adaptability of the control system in the presence of varying demands and renewable generations is validated. The simulation results indicate that hydrogen as a flexible load facilitates the supply of varying grid demand. Additionally, the renewables are also accommodated into the IES owing to the flexibility of the balance of plant associated with the nuclear reactors.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2022

Chirality enhances oxygen reduction

Controlled reduction of oxygen is important for developing clean energy technologies, such as fuel cells, and is vital to the existence of aerobic organisms. The process starts with oxygen in a triplet ground state and ends with products that are all in singlet states. Hence, spin constraints in the oxygen reduction must be considered. Here, we show that the electron transfer efficiency from chiral electrodes to oxygen (oxygen reduction reaction) is enhanced over that from achiral electrodes. We demonstrate lower overpotentials and higher current densities for chiral catalysts versus achiral ones. This finding holds even for electrodes composed of heavy metals with large spin–orbit coupling. The effect results from the spin selectivity conferred on the electron current by the chiral assemblies, the chiral-induced spin selectivity effect.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2026

Connecting collisional and photofragmentation resonances in the ungerade symmetry states of H 2

A recently developed energy-dependent frame transformation theory that incorporates both ionisation and dissociation channels of the H 2 molecule, is extended to treat the ungerade states that occur both in dissociative recombination and as the final state in ground state photoabsorption. The theoretical treatment includes the rotational degrees of freedom and is benchmarked against a two-dimensional model that can be solved with high accuracy and also compared with photoabsorption experiments. Analysis of the resulting spectra demonstrates how the same resonances appear in very different observables, often with quite different line shapes.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2023

Code Benchmark of the HTTF Pressurized Conduction Cooldown Test Using SAM

The High Temperature Test Facility (HTTF) at Oregon State University is an integral system test facility to simulate postulated reactor transients of prismatic high-temperature gas-cooled reactors(HTGRs). A series of test campaigns was launched, providing abundant test data that could be used to benchmark reactor system analysis codes like the System Analysis Module (SAM). In this study, a SAM model of the facility is developed based on the two-dimensional (2D) ring model approach. All components including the ceramic matrix, graphite heaters, helium coolant channels, core barrel, upcomer, pressure vessel, and reactor cavity cooling system are modeled as concentric cylindrical rings. The model is used to simulate one of the benchmark problems-Pressurized Conduction Cooldown (PCC)-within the scope of the Organisation for Economic Co-operation and Development Nuclear Energy Agency International HTTF Benchmark. The simulations consist of two parts. In the first part, operating and boundary conditions as well as thermophysical properties of materials are specified for the benchmark problem. In this work, results from the first part will be used in code-to-code comparison. In the second part, the SAM model is used to simulate Test PG-27, which is the first PCC test carried out in the HTTF, with only two of the ten heater banks activated. The results in the second part are used for code-to-data comparison. Because the helium coolant flow rate is not measured in this facility, it is estimated using the input power and inlet/outlet coolant temperatures. Additionally, radial heat flow in the ceramic blocks is complicated by hundreds of cylindrical coolant channels and heater rods embedded in them. As such, it is necessary to deduce an effective thermal conductivity for the ceramic to analyze the core thermal behavior. SAM predictions of the helium coolant and ceramic temperatures are compared with test data measured in three equivalent sectors. Overall, the SAM results agree reasonably well with test data within the variation of data among the three sectors, which demonstrates SAM's capability in capturing transient effects in HTGR using the simplified 2D ring model.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗
DOE OSTI2026

Nonlinear saturation of ballooning modes in stellarators

Ballooning mode saturation is investigated in realistic stellarator configurations using the flux tube approach of Ham et al (2018 Plasma Phys. Control. Fusion 60 075017), Ham et al (2016 Phys. Rev. Lett. 116 235001). The method is adapted to account for the lack of exact force balance in stellarator equilibrium solvers that assume existence of nested flux surfaces. A variational approach for calculating flux tube energy is developed to overcome this force error problem in stellarator numerical equilibria. Saturated (equilibrium) flux tube states that cross 10%–20% of the plasma minor radius are shown to exist for linearly ballooning unstable profiles. It is shown that several features of the displaced flux tube structure in a full nonlinear MHD simulation of Wendelstein 7X are reproduced by our model. Saturated states are found in a compact stellarator equilibrium close but below the marginal ballooning linear instability, i.e. the unperturbed equilibrium is metastable. This suggests that edge-localized-mode-like explosive MHD behavior may be possible in stellarators.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2023

Revealing the Internal Architecture of Alkaline Fuel Cell Membranes with Cryo-4D-STEM and Cryo-STEM-EELS

Characterization of the internal architecture of polymer materials plays an important role in the development of energy devices such as fuel cells. The beam sensitivity of polymer materials coupled with their inherent low contrast makes imaging using conventional TEM and STEM techniques a challenge. Here, we demonstrate robust mapping of the internal architecture of fuel cell polymer membranes using cryo-4D-STEM and cryo-STEM-EELS. Here, we will focus on characterization of alkaline anion exchange membranes (AAEMs) used in AAEM fuel cells, a cheaper alternative to current fuel cell technologies as they allow for platinum group metal-free catalysts. In fuel cell polymer membranes, the internal architecture is critical in performance metrics such as conductivity, mechanical durability, and chemical stability.

30 DIRECT ENERGY CONVERSION↗
DOE OSTI2022

State-to-state rate coefficients for HCS+ in rotationally inelastic collisions with H2 at low temperatures

ABSTRACT HCS+ ions have been detected in several regions of the interstellar medium (ISM), but an accurate determination of the chemical-physical conditions in the molecular clouds where this molecule is observed requires detailed knowledge of the collisional rate coefficients with the most common colliders in those environments. In this work, we study the dynamics of rotationally inelastic collisions of HCS+ + H2 at low temperature, and report, for the first time, a set of rate coefficients for this system. We used a recently developed potential energy surface for the HCS+–H2 van der Waals complex and computed state-to-state rotational rate coefficients for the lower rotational states of HCS+ in collision with both para- and ortho-H2, analysing the influence of the computed rate coefficients on the determination of critical densities. Additionally, the computed rate coefficients are compared with those obtained by scaling the ones from HCS+ in collision with He (an approximation that is sometimes used when data is lacking), and large differences are found. Furthermore, the approximation of using the rates for the HCO+ + H2 collision as a rough approximation for those of the HCS+ + H2 system is also evaluated. Finally, the complete set of de-excitation rate coefficients for the lowest 30 rotational states of HCS+ by collision with H2 is reported from 5 to 100 K.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2023

Spectroscopy of QUBRICS quasar candidates: 1672 new redshifts and a golden sample for the Sandage test of the redshift drift

ABSTRACT The QUBRICS (QUasars as BRIght beacons for Cosmology in the Southern hemisphere) survey aims at constructing a sample of the brightest quasars with $z \lower.5ex\hbox{$\,\, \buildrel\gt \over \sim \,\,$}2.5$, observable with facilities in the Southern Hemisphere. QUBRICS makes use of the available optical and IR wide-field surveys in the South and of Machine Learning techniques to produce thousands of bright quasar candidates of which only a few hundred have been confirmed with follow-up spectroscopy. Taking advantage of the recent Gaia Data Release 3, which contains 220 million low-resolution spectra, and of a newly developed spectral energy distribution fitting technique, designed to combine the photometric information with the Gaia spectroscopy, it has been possible to measure 1672 new secure redshifts of QUBRICS candidates, with a typical uncertainty of σz = 0.02. This significant progress of QUBRICS brings it closer to (one of) its primary goals: providing a sample of bright quasars at redshift 2.5 < z < 5 to perform the Sandage test of the cosmological redshift drift. A Golden Sample of seven quasars is presented that makes it possible to carry out this experiment in about 1500 h of observation in 25 yr, using the ANDES spectrograph at the 39m ELT, a significant improvement with respect to previous estimates.

Cristiani, Stefano (ORCID:0000000221155234)↗
DOE OSTI2020

Magic-angle semimetals with chiral symmetry

Here, we construct and solve a two-dimensional, chirally symmetric model of Dirac cones subjected to a quasiperiodic modulation. In real space, this is realized with a quasiperiodic hopping term. This hopping model, as we show, at the Dirac node energy has a rich phase diagram with a semimetal-to-metal phase transition at intermediate amplitude of the quasiperiodic modulation, and a transition to a phase with a diverging density of states (DOS) and subdiffusive transport when the quasiperiodic hopping is strongest. We further demonstrate that the semimetal-to-metal phase transition can be characterized by the multifractal structure of eigenstates in momentum space and can be considered as a unique “unfreezing” transition. This unfreezing transition in momentum space generates flat bands with a dramatically renormalized bandwidth in the metallic phase similar to the phenomena of the band structure of twisted bilayer graphene at the magic angle. We characterize the nature of this transition numerically as well as analytically in terms of the formation of a band of topological zero modes. For pure quasiperiodic hopping, we provide strong numerical evidence that the low-energy DOS develops a divergence and the eigenstates exhibit Chalker (quantum-critical) scaling despite the model not being random. At particular commensurate limits the model realizes higher-order topological insulating phases. We discuss how these systems can be realized in experiments on ultracold atoms and metamaterials.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2022

Deciphering Nb 98 β decay with the Modular Total Absorption Spectrometer at ORNL

An assessment done under the auspices of the Organization for Economic Co-operation and Developement Nuclear Energy Agency (OECD-NEA) in 2007 suggested that the β decays of many abundantly produced fission products in nuclear reactors may be incomplete. In this assessment, the fission product 98 Nb was assigned the highest priority for study by total absorption spectroscopy due to its large cumulative fission branching fraction and because the β-decay data from several experiments are discrepant. To obtain the complete β-decay feeding pattern of 98 Nb and determine the impact on the average γ energy per 98 Nb β decay and v¯e emission calculations. The complete 98 Nb β-decay feeding pattern includes ground-state to ground-state β feeding and direct β feeding to the 0 + first-excited state (both have no associated γ rays), and the ground-state to excited-state β transitions followed by γ transitions to the ground state of the daughter nucleus, 98 Mo. The complete β-decay intensities of 98 Nb were measured with the Modular Total Absorption Spectrometer at Oak Ridge National Laboratory (ORNL). Here, the 98 Nb was produced by the β decay of mass 98 fission fragments at ORNL's On-Line Test Facility (OLTF) using proton-induced fission of 238 U. We find that changes to the current ENSDF assessment of 98 Nb β-decay intensity are required. We report improved uncertainties for the β-decay feeding values and report new β feedings to high-energy levels in 98 Mo. A more complete 98 Nb β-feeding pattern with improved accuracy and precision is offered. The impacts of the measured changes to the 98 Nb β-feeding pattern on both reactor decay heat calculations and predicted detection rates of reactor v¯e are presented. The Modular Total Absorption Spectrometer measurements of 98 Nb demonstrate the importance of reexamining and remeasuring complex β-decaying fission products with total absorption spectroscopy, including nuclei very near β stability.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2020

Dissociative Recombination of Cold HeH + Ions

The HeH + cation is the simplest molecular prototype of the indirect dissociative recombination (DR) process that proceeds through electron capture into Rydberg states of the corresponding neutral molecule. This Letter develops the first application of our recently developed energy-dependent frame transformation theory to the indirect DR processes. The theoretical model is based on the multichannel quantum-defect theory with the vibrational basis states computed using exterior complex scaling of the nuclear Hamiltonian. The ab initio electronic R-matrix theory is adopted to compute quantum defects as functions of the collision energy and of the internuclear distance. The resulting DR rates are convolved over the beam energy distributions relevant to a recent experiment at the Cryogenic Storage Ring, giving good agreement between the experiment and the theory.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2024

Dispatching Grid-Forming Inverters in Grid-Connected and Islanded Mode

This paper explores the dispatchability of grid-forming (GFM) inverters in grid-connected and islanded mode. GFM inverters usually use droop control to automatically share power with other GFM sources (inverters and synchronous generators) and follow the change in the load demand; however, they can be dispatched like their grid-following (GFL) counterparts to output the target active and reactive power. This will help grid operators better manage their inverter-based resources (IBRs) to improve operation efficiency and reliability; therefore, this paper proposes an innovative concept of dispatching GFM sources (inverters and synchronous generators) to output the target power in both grid-connected and islanded mode by adjusting their droop intercepts. The fundamental principle is that the GFM inverter's active and reactive power is dictated by its frequency and voltage, and thus dispatching the active and reactve power of a GFM inverter can be achieved through dispatching its frequency and voltage. Moreover, the concept distinguishes the dispatch rules for grid-connected and islanded mode. Finally, the concept is validated with an example microgrid system with two GFM inverters, one diesel generator, one GFL inverter, and the load in both grid-connected and islanded mode. This pioneering work results in practical guidance for the development of energy management systems for future electric grids with GFM and GFL inverters.

dispatching↗
DOE OSTI2020

Engineering Solid Electrolyte Interphase Composition by Assessing Decomposition Pathways of Fluorinated Organic Solvents in Lithium Metal Batteries

Studies have shown fluorinated electrolyte solvents can form desirable solid electrolyte interphase (SEI) in lithium metal batteries. In this study, we develop a detailed mechanistic understanding of two high performing electrolytes, Fluoroethylene Carbonate (FEC) and Difluoroethylene Carbonate (DFEC) to demonstrate minimal structural variations can lead to different decomposition products, and thereby the nature of the SEI. Using density functional theory (DFT) calculations, we find different initial bond-breaking mechanisms between FEC and DFEC. We develop free energy diagrams for the decomposition pathways including both electrochemical and chemical steps. Using the computational Li electrode, we identify the largest limiting potential of 1.77 V for FEC decomposition, associated with the formation of lithium fluoride, lithium oxide and FEC oligomers, and 1.53 V for DFEC, which correspond to the formation of polymerized vinylene carbonate and lithium fluoride. We suggest the formation of oligomers in the case of FEC instead of long polymers may lead to better SEI compactness. We also demonstrate the SEI components of FEC and DFEC are not stable on typical cathode voltage (3.87 V). This study presents a unified electrocatalytic perspective on SEI formation and decomposition.

25 ENERGY STORAGE↗
DOE OSTI2021

Molten Salt Assisted Low-Temperature Electro-Catalytic Graphitization of Coal Chars

A great effort has been centered around developing clean energy technologies (energy storage devices) to curtail burning fossil fuels' deleterious environmental effects. Rechargeable batteries [lithium-ion batteries (LIBs)] are among the most invested and investigated storage devices showing potential to transform fossil fuel-powered mobility to next-generation safe electromobility. However, LIBs powered electric vehicles (EV) are expensive due to the high-cost graphite anode associated with LIBs. Herein, the synthesis of low-cost, highly crystalline nano-graphite with a tunable microstructural architecture has been demonstrated via molten salt assisted low-temperature electro-catalytic graphitization of coal chars, traditionally non-graphitizable carbon. Thus, graphite derived from coal chars exhibited nanoflake architecture and delivered high reversible capacity, stable long cycle life, and excellent electrochemical performance under fast charging/discharging conditions (5C, ~12 min charge/discharge time). This finding paves the way to manufacture cost-effective high-energy-density batteries using as-synthesized graphite from readily available coal sources that could propel the EVs to the next level.

25 ENERGY STORAGE↗
DOE OSTI2025

Formulation and Experimental Validation of an Agricultural Implement-Only MPR System for Maximum Compatibility with Existing Agricultural Tractors

Tightening emissions regulations and rising fuel costs have driven a desire across many industries for more efficient actuation systems. This is particularly true of the agricultural sector. An extremely common arrangement in this sector is the tractor and implement pairing, in which actuators on an implement are powered by a hydraulic supply system on the towing tractor. This arrangement complicates the development of energy efficient hydraulic systems, as many new system designs require modification of both machines to reap efficiency benefits. Past work by the authors’ team has demonstrated great potentials for Multi-Pressure-Rail (MPR) technology involving both the tractor and implement subsystems. However, applicability of this MPR technology in a more realistic scenario where only one vehicle is equipped with such technology was not addressed. This work proposes an implementation of the MPR technology to an agricultural planter that allows significant savings, while only modifying the implement machine. This is done by manipulating the load sense network of a stock tractor to set system pressures to those required by the MPR system. This greatly reduces the barrier to implementation of MPR technology in agriculture. The work begins by outlining the reference machine for the system, then reviews the MPR system working principle. After this, the proposed expansion to the MPR concept is laid out and applied to the reference system. Finally, experimental validation is carried out, demonstrating up to a 35% reduction in system power consumption when paired with a state of the art, double-LS System tractor, and 15% with a single-LS System tractor.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2024

Implement-Only Implementation of a Multi Pressure Rail System to an Agricultural Planter

Tightening emissions regulations and rising fuel costs have driven a desire across many industries for more efficient actuation systems. This is particularly true of the agricultural sector. An extremely common arrangement in this sector is the tractor and implement pairing, in which actuators on an implement are powered by a hydraulic supply system on the towing tractor. This arrangement complicates the development of energy efficient hydraulic systems, as many new system designs require modification of both machines to reap efficiency benefits. Past work by the authors’ team has demonstrated great potentials for Multi-Pressure-Rail (MPR) technology involving both the tractor and implement subsystems. However, applicability of this MPR technology in a more realistic scenario where only one vehicle is equipped with such technology was not addressed. This work proposes an implementation of the MPR technology to an agricultural planter that allows significant savings, while only modifying the implement machine. This is done by manipulating the load sense network of a stock tractor to set system pressures to those required by the MPR system. This greatly reduces the barrier to implementation of MPR technology in agriculture. The work begins by outlining the reference machine for the system, then reviews the MPR system working principle. After this, the proposed expansion to the MPR concept is laid out, and applied to the reference system. Finally, experimental validation is carried out, demonstrating on average 37% reduction in system power consumption.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2024

Verified, Archived, Library of Inputs and Data (VALID) Supporting Files

This dataset contains input, output, and sensitivity data files for computational simulations with the SCALE code system as part of the Verified, Archived Library of Inputs and Data (VALID). The simulations cover critical benchmark experiments from the International Criticality Safety Benchmark Evaluation Project. The files are to be housed in a public directory for distribution. The information contained in the files have been approved for release by the Organisation for Economic Co-operation and Development Nuclear Energy Agency (NEA). Users wanting to reproduce results from this dataset are required to obtain a license to the SCALE code system for which details on the distribution can be found here: https://www.ornl.gov/scale/releases.

keff↗