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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 613 records · Page 34
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Operation and performance of the ATLAS tile calorimeter in LHC Run 2

The ATLAS tile calorimeter (TileCal) is the hadronic sampling calorimeter covering the central region of the ATLAS detector at the Large Hadron Collider (LHC). This paper gives an overview of the calorimeter’s operation and performance during the years 2015–2018 (Run 2). In this period, ATLAS collected proton–proton collision data at a centre-of-mass energy of 13 TeV and the TileCal was 99.65% efficient for data-taking. The signal reconstruction, the calibration procedures, and the detector operational status are presented. The performance of two ATLAS trigger systems making use of TileCal information, the minimum-bias trigger scintillators and the tile muon trigger, is discussed. Studies of radiation effects allow the degradation of the output signals at the end of the LHC and HL-LHC operations to be estimated. Finally, the TileCal response to isolated muons, hadrons and jets from proton–proton collisions is presented. The energy and time calibration methods performed excellently, resulting in good stability and uniformity of the calorimeter response during Run 2. The setting of the energy scale was performed with an uncertainty of 2%. The results demonstrate that the performance is in accordance with specifications defined in the Technical Design Report.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2024

Morphological Evolution and Dealloying During Corrosion of Ni20Cr (wt.%) in Molten FLiNaK Salts

The dealloying corrosion behavior of the FCC Ni20Cr (wt%) in molten LiF-NaF-KF (FLiNaK) salts at 600 °C under varying applied potentials was investigated. Using in-operando electrochemical techniques and a multi-modal suite of characterization methods, we connect electrochemical potential, thermodynamic stability, and electro-dissolution kinetics to the corrosion morphologies. Notably, under certain potential regimes, a micron-scale bicontinuous structure, characterized by a network of interconnected pores and ligaments riched with the composition of the more noble (MN) element, becomes prominent. At other potentials both MN and less noble (LN) elements dealloy but at different rates. The dealloying process consists of lattice and grain boundary diffusion of Cr to the metal/salt interface, interphase Cr oxidation, accompanied by surface diffusion of Ni to form interconnected ligaments. At higher potentials, the bicontinuous porous structure undergoes further surface coarsening. Concurrently, Cr(II), Cr(III), and Ni(II) begin to dissolve, with the dissolution of Ni occurring at a significantly slower rate. When solid-state transport of Cr is exceeded by the interfacial rates, dealloying depths are limited.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

Defect passivation in nanostructured silica for stable birefringence in polarization optics

Nanostructured materials with anisotropic microstructure exhibit direction-dependent refractive index, known as form birefringence. One of the main advantages of these nanostructured materials is that the ease of fabrication significantly reduces the cost of production. However, their birefringence is affected by humidity as well as time. The hypothesis is that defects, particularly silanols, are responsible. Here, in this work, we present the use of hexamethyldisilazane (HMDS) vapor as a passivation strategy. Using spectroscopic ellipsometry and Raman scattering, the data show that HMDS successfully passivates silanol groups and promotes O-Si-O bond formation, resulting in improved stability. The results demonstrate a simple method to enhance the reliability of all-silica polarization optics offering potential advancements for high-power laser components.

Mireles, Marcela [Univ. of Rochester, NY (United S↗
DOE OSTI2020

Re-Additization of Commercial Biodiesel Blends During Long-Term Storage

Commercial biodiesel blends representative of the U.S. market were aged following procedure ASTM D4625, Standard Test Method for Middle Distillate Fuel Storage Stability at 43°C (110°F), with periodic monitoring of fuel properties indicative of oxidation. The oxidation stability—or oxidation reserve expressed as Rancimat induction period (IP)—gradually decreased from its initial value, as expected. At a predetermined IP threshold, an antioxidant was used to restore IP to the ASTM D7467 specification minimum of 6 six hours, referred to as re-additization. At lower IP values, the amount of antioxidant required increased significantly, and the effectiveness tended to be reduced. Once IP fell to essentially zero, the acid content increased to above the allowable limit. Insoluble material was detectable after the acid number increased out of specification. Storage life was increased with re-additization relative to the as-received fuels, as evidenced by longer time to produce acids. Experience in the field may vary based on storage conditions; however, these results indicate re-additization can significantly increase the storage life of biodiesel blends when used with regular monitoring of IP and acid number. An assessment of property changes during long-term storage showed the initial IP did not predict storage behavior, although fuels above the specification minimum remained stable for greater than 12 weeks of D4625 accelerated aging (1 one year simulated).

09 BIOMASS FUELS↗
DOE OSTI2022

Machine Learning Solutions for a Stable Grid Recovery

Grid operating security studies are typically employed to establish operating boundaries, ensuring secure and stable operation for a range of operation under NERC guidelines. However, if these boundaries are severely violated, existing system security margins will be largely unknown, as would be a secure incremental dispatch path to higher security margins while continuing to serve load. As an alternative to the use of complex optimizations over dynamic conditions, this work employs the use of machine learning to identify a sequence of secure state transitions which place the grid in a higher degree of operating security with greater static and dynamic stability margins. Several reinforcement learning solution methods were developed using deep learning neural networks, including Deep Q-learning, Mu-Zero, and the continuous algorithms Proximal Reinforcement Learning, and Advantage Actor Critic Learning. The work is demonstrated on a power grid with three control dimensions but can be scaled in size and dimensionality, which is the subject of ongoing research.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2026

Continual Learning for Production-Level Machine Learning in Particle Accelerators

Particle accelerators operate in complex environments where data distribution can change dynamically, leading to data drifts that significantly challenge Machine Learning (ML) models. These non-stationary conditions often cause ML models to deteriorate in performance, making it difficult to maintain reliable predictions in operation. The primary sources of data drifts are changes in accelerator settings and changes in equipment performance which cannot be measured directly. To bridge this gap between ML development and long-term deployment in operational settings, we identify key areas within particle accelerators where continual learning can help mitigate drift-induced performance degradation. We will provide a practical guide on selecting the appropriate method given resource constraints and desired stability plasticity trade offs. As a concrete example, we will present a real-world use case for anomaly detection to predict errant beams at the Spallation Neutron Source accelerator, where continual learning has been employed to demonstrate stable performance on drifting data streams. We will present practical challenges, lessons learned, and the results from the deployed ML model.

Rajput, Kishansingh [Thomas Jefferson National Acc↗
DOE OSTI2026

Tabulated data for Lignin-Derived Phenolic Compounds and Water Are Effective Cosolvents for Reductive Catalytic Fractionation

Reductive catalytic fractionation (RCF) is an effective lignin-first biorefining method to extract lignin as a stabilized oil from lignocellulosic biomass. To realize RCF at scale, process modeling has shown that minimizing the use of exogenous organic solvents is critical. To this end, here we investigate the ability of lignin-derived monomers to act as either solvents or cosolvents for RCF. We begin by examining the influence of lignin-derived aromatic compounds (4-propylguaiacol, 4-propylphenol, and propylbenzene) on RCF monomer yields and subsequently extend our analysis to mixtures of 4-propylguaiacol and either methanol or water. We demonstrate that 4-propylguaiacol is an effective solvent for lignin extraction and depolymerization during RCF, especially when used in combination with water as a cosolvent. Cosolvent mixtures of 4-propylguaiacol and water enable up to 81% lignin extraction, monomer yields up to 25 wt %, and postreaction phase separation. However, unlike methanol, water as a cosolvent fails to inhibit aromatic ring hydrogenation when conducted over Ru/C as a catalyst, potentially leading to excess hydrogen consumption in a process utilizing this approach. Nonetheless, these results suggest a promising strategy for eliminating external organic solvents from RCF by utilizing mixtures of lignin-derived compounds and water as alternative extraction solvents. This is the tabulated data for the paper

biorefining↗
DOE OSTI2026

Calculation of monomer yields, verification of PG concentration approximation, catalyst comparison for neat aromatic RCF, SEM micrographs for postreaction pulps, yields of aqueous-phase sugar derivatives after PG-H2O RCF, reactor pressure transients, GPC comparing pre- and postreaction organic solvent composition, PG-H2O miscibility testing, GPC probing dimer/oligomer fractionation in PG-H2O mixtures for

Reductive catalytic fractionation (RCF) is an effective lignin-first biorefining method to extract lignin as a stabilized oil from lignocellulosic biomass. To realize RCF at scale, process modeling has shown that minimizing the use of exogenous organic solvents is critical. To this end, here we investigate the ability of lignin-derived monomers to act as either solvents or cosolvents for RCF. We begin by examining the influence of lignin-derived aromatic compounds (4-propylguaiacol, 4-propylphenol, and propylbenzene) on RCF monomer yields and subsequently extend our analysis to mixtures of 4-propylguaiacol and either methanol or water. We demonstrate that 4-propylguaiacol is an effective solvent for lignin extraction and depolymerization during RCF, especially when used in combination with water as a cosolvent. Cosolvent mixtures of 4-propylguaiacol and water enable up to 81% lignin extraction, monomer yields up to 25 wt %, and postreaction phase separation. However, unlike methanol, water as a cosolvent fails to inhibit aromatic ring hydrogenation when conducted over Ru/C as a catalyst, potentially leading to excess hydrogen consumption in a process utilizing this approach. Nonetheless, these results suggest a promising strategy for eliminating external organic solvents from RCF by utilizing mixtures of lignin-derived compounds and water as alternative extraction solvents.

biorefining↗
DOE OSTI2026

Lignin-Derived Phenolic Compounds and Water Are Effective Cosolvents for Reductive Catalytic Fractionation

Reductive catalytic fractionation (RCF) is an effective lignin-first biorefining method to extract lignin as a stabilized oil from lignocellulosic biomass. To realize RCF at scale, process modeling has shown that minimizing the use of exogenous organic solvents is critical. To this end, here we investigate the ability of lignin-derived monomers to act as either solvents or cosolvents for RCF. We begin by examining the influence of lignin-derived aromatic compounds (4-propylguaiacol, 4-propylphenol, and propylbenzene) on RCF monomer yields and subsequently extend our analysis to mixtures of 4-propylguaiacol and either methanol or water. We demonstrate that 4-propylguaiacol is an effective solvent for lignin extraction and depolymerization during RCF, especially when used in combination with water as a cosolvent. Cosolvent mixtures of 4-propylguaiacol and water enable up to 81% lignin extraction, monomer yields up to 25 wt %, and postreaction phase separation. However, unlike methanol, water as a cosolvent fails to inhibit aromatic ring hydrogenation when conducted over Ru/C as a catalyst, potentially leading to excess hydrogen consumption in a process utilizing this approach. Nonetheless, these results suggest a promising strategy for eliminating external organic solvents from RCF by utilizing mixtures of lignin-derived compounds and water as alternative extraction solvents.

biorefining↗
DOE OSTI2022

Mitigation of Leakage and Water Ingress for a Promising Phase Change Material (PCM) Containing Polythylene Glycol (PEG): Preprint

A promising and cost-effective phase change material (PCM) containing polyethylene glycol (PEG) 600, 800, and/or 1000 has been synthesized. It is shape stabilized using a sol-gel method and displays promising thermal properties. These properties make the PCMs good candidates for thermal batteries and other thermal energy storage applications in the building sector. However, PEG leakage is observed at elevated temperatures, and due to the hygroscopic nature of PEG, moisture ingress is also observed, which can have a significant effect on performance and durability. Thus, we have developed hydrophobic coatings to prevent PEG leakage and mitigate moisture ingress. The selected approach involves a secondary sol-gel process during which a thin layer formulated with hydrophobic precursors is deposited onto the surface of the PCM samples. Several coating formulations have been investigated, including formulations composed of tetraethyl orthosilicate (TEOS), diethoxy(dimethyl)silane (DEDMS), triethoxymethylsilane (TEMS), and n- octyltriethoxysilane (OTES). We find that this is effective at increasing hydrophobicity of the PCM substrates. It also decreases substrate leakage.

ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATION↗
DOE OSTI2023

Fuel cell and electrolyzer hotbox module using conductive zirconia stacks

Modular pressurized hotbox for use and substitution in a variety of pressurized electrochemical applications to include reversible solid oxide electrolyzer and fuel cells, energy storage systems, renewable fuel production, solid-state hydrogen pumping and liquefaction, and oxygen transport membranes. This is enabled by mixed electronic and ionic conducting compositions of vanadia-yttria and vanadia-calcia stabilized zirconia and a dry powder method of manufacture for ceramic core stacks.

McLarty, Dustin↗
DOE OSTI2022

Low-Pressure Electrochemical Synthesis of Complex High-Pressure Superconducting Superhydrides

There is great current interest in multicomponent superhydrides due to their unique quantum properties under pressure. A remarkable example is the ternary superhydride Li 2 MgH 16 computationally identified to have an unprecedented high superconducting critical temperature T c of ~470 K at 250 GPa. However, the very high synthesis pressures required remains a significant hurdle for detailed study and potential applications. In this Letter, we evaluate the feasibility of synthesizing ternary Li-Mg superhydrides by the recently proposed pressure-potential (P 2 ) method that uniquely combines electrochemistry and applied pressure to control synthesis and stability. Furthermore, the results indicate that it is possible to synthesize Li-Mg superhydrides at modest pressures by applying suitable electrode potentials. Using pressure alone, no Li-Mg ternary hydrides are predicted to be thermodynamically stable, but in the presence of electrode potentials, both Li 2 MgH 16 and Li 4 MgH 24 can be stabilized at modest pressures. Three polymorphs are predicted as ground states of Li 2 MgH 16 below 300 GPa, with transitions at 33 and 160 GPa. The highest pressure phase is superconducting, while the two at lower pressures are not. Our findings point out the potentially important role of the P 2 method in controlling phase stability of complex multicomponent superhydrides.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2018

Formation of As–As Interlayer Bonding in the cT Phase of EuFe{sub 2}As{sub 2} and CeFeAsO Under Pressure from First Principle

The electronic band structure and structural phase stability of EuFe{sub 2}As{sub 2} and CeFeAsO compounds were studied using the full-potential linearized augmented plane wave (FP-LAPW) method implemented using WIEN2k. To calculate the structural stability and phase transition of these compounds, the total energies have been computed as a function of reduced volumes and fitted with the Birch–Murnaghan equation. The calculated lattice parameters are found to be in agreement with the available experimental data. The present results show that EuFe{sub 2}As{sub 2} and CeFeAsO compounds undergo structural phase transition from body-centered tetragonal (BCT) into collapsed tetragonal (cT) and tetragonal (T) into cT phase under pressure. The calculated phase transition pressures are in agreement with recent experimental data. The calculated valence charge density of collapsed tetragonal phase reveals that As–As interactions found to be stronger under pressure.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2025

An Accurate SUPG-stabilized Continuous Galerkin Discretization for Anisotropic Heat Flux in Magnetic Confinement Fusion

We present a novel spatial discretization for the anisotropic heat conduction equation, aimed at improved accuracy at the high levels of anisotropy seen in a magnetized plasma, for example, for magnetic confinement fusion. The new discretization is based on a mixed formulation, introducing a form of the directional derivative along the magnetic field as an auxiliary variable and discretizing both the temperature and auxiliary fields in a continuous Galerkin (CG) space. Both the temperature and auxiliary variable equations are stabilized using the streamline upwind Petrov–Galerkin (SUPG) method, ensuring a better representation of the directional derivatives and therefore an overall more accurate solution. This approach can be seen as the CG-based version of our previous work (Wimmer, Southworth, Gregory, Tang, 2024), where we considered a mixed discontinuous Galerkin (DG) spatial discretization including DG-upwind stabilization. We prove consistency of the novel discretization, and demonstrate its improved accuracy over existing CG-based methods in test cases relevant to magnetic confinement fusion. This includes a long-run tokamak equilibrium sustainment scenario, demonstrating a 35% and 32% spurious heat loss for existing primal and mixed CG-based formulations versus 4% for our novel SUPG-stabilized discretization.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2019

A higher-order Lagrangian discontinuous Galerkin hydrodynamic method for solid dynamics

We present a new multidimensional high-order Lagrangian discontinuous Galerkin (DG) hydrodynamic method that supports hypoelastic and hyperelastic strength models for simulating solid dynamics with higher-order elements. We also present new one-dimensional test problems that have an analytic solution corresponding to a hyperelastic–plastic wave. A modal DG approach is used to evolve fields relevant to conservation laws. These fields are approximated high-order Taylor series polynomials. The stress fields are represented using nodal quantities. The constitutive models used to calculate the deviatoric stress are either a hypoelastic–plastic, infinitesimal strain hyperelastic–plastic, or finite strain hyperelastic–plastic model. These constitutive models require new methods for calculating high-order polynomials for the velocity gradient and deformation gradient in an element. The plasticity associated with the strength model is determined using a radial return method to with a J 2 yield criterion and perfect plasticity. The temporal evolution of the governing equations is achieved with the total variation diminishing Runge–Kutta (TVD RK) time integration method. A diverse suite of 1D and 2D test problems are calculated. Here, the new 1D piston test problems, which have analytic solutions for each elastic–plastic model, are presented and calculated to demonstrate the stability and formal accuracy of the various models with the new Lagrangian DG method. 2D test problems are calculated to demonstrate the stability and robustness of the new Lagrangian DG method on multidimensional problems with high-order elements, which have faces that can bend.

42 ENGINEERING↗
DOE OSTI2018

Ruthenium oxide nanostring clusters anchored Graphene oxide nanocomposites for high-performance supercapacitors application

Highlights: • GO-RuO{sub 2} nanocomposites were synthesized by simple hydrothermal method. • GO-RuO{sub 2} nanocomposites were characterized by XRD, SEM, TEM and EDS. • GO-RuO{sub 2} nanostring composite has shown a maximum specific capacitance of 859 Fg{sup −1} at the scan rate of 5 mVs{sup −1}. • GO-RuO{sub 2} nanostring composite electrode exhibits tremendous cyclic stability. - Abstract: Here, we report simple hydrothermal method for the preparation of Graphene oxide (GO) is embellished with nanostring clusters of ruthenium oxide (GO-RuO{sub 2}). The structure of the nanocomposite material was ascertained using X-ray diffraction (XRD), Raman spectroscopy, Scanning electron spectroscopy (SEM), Energy dispersive spectroscopy (EDS) and Transmission spectroscopy (TEM). The supercapacitor performance of the nanocomposites was investigated in acidic electrolyte, 1.0 M H{sub 2}SO{sub 4}, in a three-electrode setup. GO-RuO{sub 2} nanostring composite has shown a maximum specific capacitance of 859 Fg{sup −1} at the scan rate of 5 mVs{sup −1} using Cyclic voltammetry (CV) and by using Chronopotentiometry (CP) the specific capacitance towered up to 512 Fg{sup −1} at a current density of 2.5 Ag{sup −1}. Further, the material also possesses a high energy density of 246 Wh kg{sup -1}with a maximum power density of 1028 W kg{sup -1}. GO-RuO{sub 2} nanostring composite electrode exhibits tremendous cyclic stability with the specific capacitance retention of nearly 99% of the initial capacitance.

77 NANOSCIENCE AND NANOTECHNOLOGY↗