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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 577 records · Page 32
All sourcesNASA NTRSDOE OSTI
DOE OSTI2015

Fully-Implicit Orthogonal Reconstructed Discontinuous Petrov-Galerkin Method for Multiphysics Problems

This document is focussed on the development of reconstructed discontinuous Galerkin (RDG P n P m ) method, based on orthogonal basis functions. Orthogonality of basis functions is essential for enabling robust and efficient fully-implicit Newton-Krylov based time discretization. The method is designed for generic partial differential equations, including transient hyperbolic, parabolic and/or elliptic operators, which are attributed to many multiphysics problems. Our driving application of interest is additive manufacturing, which requires simulations of fluid-solid-gas systems, with compressibility effects and phase change (melting/ solidification). Thus, we demonstrate the method capabilities for solving nonlinear heat conduction equation coupled with multi-material Navier-Stokes based compressible fluid (in low Mach number limit) systems. We focus our attention to the method accuracy (in both time and space), as well as solvability of linear algebra involved in linear steps of the Newton-based solver. We demonstrate the accuracy and efficacy of the method, emphasizing the advantages from the orthogonality of basis functions, which makes better conditioning of underlying (approximate) Jacobian matrices, and rapid convergence of Krylov methods. iii

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2018

Aviation Transportation, Cyber Threats, and Network-of-Networks: Modeling Perspectives for Translating Theory to Practice

Understanding aviation transportation infrastructure system behavior and coupling with communication networks is essential for securing and restoring functionality against cyber-enabled threats. While significant progress has been made in the past decade on developing infrastructure resilience theories based on network structure and operations, translating and generalizing them to real-world practice has often been challenging due to imperfect data and inapplicability of modeling assumptions. These typically include: 1) stylized network structures without uncertainty, 2) node homogeneity, 3) static criticality measures, and 4) unrealistic cascade models originating from single points of failure. This paper presents modeling perspectives that aim to address these theory-to-practice challenges using a well-grounded network-of-networks (NoN) construct. Real-world modeling challenges are identified and a network theory-guided conceptual NoN model is developed that may be operationalized with the U.S. national airspace system airport network (NASAN) and Federal Aviation Administration (FAA) communication network as application domain. Improving accuracy in loss of functionality estimates due to cyber events in communication networks and cascading air travel delay impacts is key for informing consequence-based decision support and risk/contingency analyses.

Bhatia, Udit↗
DOE OSTI2023

Visible-telecom tunable dual-band optical isolator based on dynamic modulation in thin-film lithium niobate

Optical isolators are an essential component of photonic systems. Current integrated optical isolators have limited bandwidths due to stringent phase-matching conditions, resonant structures, or material absorption. Here, we demonstrate a wideband integrated optical isolator in thin-film lithium niobate photonics. We use dynamic standing-wave modulation in a tandem configuration to break Lorentz reciprocity and achieve isolation. We measure an isolation ratio of 15 dB and insertion loss below 0.5 dB for a continuous wave laser input at 1550 nm. In addition, we experimentally show that this isolator can simultaneously operate at visible and telecom wavelengths with comparable performance. Isolation bandwidths up to ∼100 nm can be achieved simultaneously at both visible and telecom wavelengths, limited only by the modulation bandwidth. Our device’s dual-band isolation, high flexibility, and real-time tunability can enable novel non-reciprocal functionality on integrated photonic platforms.

Shah, Manav↗
DOE OSTI2025

Single Crystals of Vanadium Oxides as a Lens for Understanding Structural and Electronic Phase Transformations, Ion Transport, Chemo-Mechanical Coupling, and Electrothermal Neuronal Emulation

Vanadium oxides cystallize in a diverse array of structures and compositions arising from the redox versatility of vanadium, variable covalency of V−O bonds, and myriad coordination geometries. Their open frameworks present abundant interstitial sites that enable insertion of guest-ions. In such compounds, V3d electron and spin localization and disorder couple strongly to structural preferences. The rich structural diversity manifests as a “rugged” free energy landscape with multiple interconvertible polymorphs. Such a landscape sets up structural, electronic, and magnetic transitions that underpin the promise of these materials as ion-insertion battery electrodes; compact primitives for brain-inspired computing, and heterogeneous catalysts. Here, we examine the structural and compositional diversity, electronic instabilities, defect dynamics, structure transformations, mechanical properties, and surface structure of vanadium oxides using single crystals as a distinctive lens. Single crystals enable the measurement of structure−function correlations without the ensemble and orientational averaging inevitable in polycrystalline materials. Their well-defined surfaces further enable examination of facet-dependent reactivity toward molecular adsorbates, ion fluxes, and lattice (mis)matched solids. We provide a comprehensive account of vanadium-oxide single-crystal studies, from delineation of common structural motifs to single-crystal growth techniques, topochemical modification strategies, mechanisms underpinning electronic instabilities, and implementation as electrothermal neurons and battery electrode materials.

Ponis, John [Texas A&M University, College Station↗
DOE OSTI2022

A 20-kW DC Oak Ridge Converter with Integrated AC & DC Sources for Grid Services and Energy Storage Systems

This paper proposes a wireless power transfer (WPT) platform with integrated energy conversion that has the capability for 1) recharging the energy storage systems (ESSs) from the grid systems, including renewable energy sources such as wind, solar, etc., 2) off grid systems recharging the ESSs from dc grid systems, 3) grid recharging of electric vehicles (EVs), and 4) off grid recharging of EVs from ESSs. The unique aspect of the method is the use of multi-interface power electronic converter for the grid and ESSs and EVs that can support a range of applications with ac / dc and dc / dc energy conversion ability in a single converter system. The key enabling technology to achieve these functionalities is Oak Ridge Converter (ORC) with polyphase coupler coil system both developed at ORNL. This new technology enables higher power density WPT systems while allowing the coils to interface from ac grid at 60 Hz frequency or dc source directly merging with 85 kHz operating frequency of switching component. The experimental results of the proposed system are presented for 20 kW output power with the system overall efficiency around 95.4% from dc source and 93% overall efficiency from ac grid achieving 9-10% current total harmonic distortion (THD) and 0.98-0.99 power factor (PF).

Asa, Erdem↗
DOE OSTI2012

Embedded Sensors and Controls to Improve Component Performance and Reliability: Conceptual Design Report

The overall project objective is to demonstrate improved reliability and increased performance made possible by deeply embedding instrumentation and controls (I&C) in nuclear power plant components. The project is employing a highly instrumented canned rotor, magnetic bearing, fluoride salt pump as its I&C technology demonstration vehicle. The project s focus is not primarily on pump design, but instead is on methods to deeply embed I&C within a pump system. However, because the I&C is intimately part of the basic millisecond-by-millisecond functioning of the pump, the I&C design cannot proceed in isolation from the other aspects of the pump. The pump will not function if the characteristics of the I&C are not embedded within the design because the I&C enables performance of the basic function rather than merely monitoring quasi-stable performance. Traditionally, I&C has been incorporated in nuclear power plant (NPP) components after their design is nearly complete; adequate performance was obtained through over-design. This report describes the progress and status of the project and provides a conceptual design overview for the embedded I&C pump.

Embedded Controls↗
DOE OSTI2016

Testbed-based Performance Evaluation of Attack Resilient Control for AGC

The modern electric power grid is a complex cyber-physical system whose reliable operation is enabled by a wide-area monitoring and control infrastructure. This infrastructure, supported by an extensive communication backbone, enables several control applications functioning at multiple time scales to ensure the grid is maintained within stable operating limits. Recent events have shown that vulnerabilities in this infrastructure may be exploited to manipulate the data being exchanged. Such a scenario could cause the associated control application to mis-operate, potentially causing system-wide instabilities. There is a growing emphasis on looking beyond traditional cybersecurity solutions to mitigate such threats. In this paper we perform a testbed-based validation of one such solution - Attack Resilient Control (ARC) - on Iowa State University's \textit{PowerCyber} testbed. ARC is a cyber-physical security solution that combines domain-specific anomaly detection and model-based mitigation to detect stealthy attacks on Automatic Generation Control (AGC). In this paper, we first describe the implementation architecture of the experiment on the testbed. Next, we demonstrate the capability of stealthy attack templates to cause forced under-frequency load shedding in a 3-area test system. We then validate the performance of ARC by measuring its ability to detect and mitigate these attacks. Our results reveal that ARC is efficient in detecting stealthy attacks and enables AGC to maintain system operating frequency close to its nominal value during an attack. Our studies also highlight the importance of testbed-based experimentation for evaluating the performance of cyber-physical security and control applications.

attack resilience↗
DOE OSTI2015

The radial profile and flattening of the Milky Way’s stellar halo to 80 kpc from the SEGUE K-giant survey

We characterize the radial density, metallicity, and flattening profile of the Milky Way’s stellar halo, based on the large sample of spectroscopically confirmed giant stars from SDSS/SEGUE-2, spanning galactocentric radii 10 kpc ≤ r{sub GC} ≤ 80 kpc. After excising stars that were algorithmically attributed to apparent halo substructure (including the Sagittarius stream), the sample has 1757 K giants, with a typical metallicity precision of 0.2 dex and a mean distance accuracy of 16%. Compared to blue horizontal branch stars or RR Lyrae variables, giants are more readily understood tracers of the overall halo star population, with less bias in age or metallicity. The well-characterized selection function of the sample enables forward modeling of those data, based on ellipsoidal stellar density models, ν{sub *}(R, z), with Einasto profiles and (broken) power laws for their radial dependence, combined with a model for the metallicity gradient and the flattening profile. Among models with constant flattening, these data are reasonably well fit by an Einasto profile of n = 3.1 ± 0.5 with an effective radius r{sub eff}=15±2 kpc and a flattening of q = 0.7 ± 0.02, or comparably well by an equally flattened broken power law, with radial slopes of α{sub in} = 2.1 ± 0.3 and α{sub out} = 3.8 ± 0.1, with a break radius of r{sub break} = 18 ± 1 kpc; this is largely consistent with earlier work. We find a modest but significant metallicity gradient within the “outer” stellar halo, [Fe/H] decreasing outward. If we allow for a variable flattening q=f(r{sub GC}), we find the distribution of halo giants to be considerably more flattened at small radii, q(10 kpc) = 0.55 ± 0.02, compared to q(>30 kpc) = 0.8 ± 0.03. Remarkably, the data are then very well fit by a single power law with index of 4.2 ± 0.1 on the variable r{sub q}≡√(R{sup 2}+(z/q(r)){sup 2}). In this simple and better-fitting model, there is a break in flattening at ∼20 kpc, instead of a break in the radial density function. While different parameterizations of the radial profile vary in their parameters, their implied density gradient, ∂lnν{sub ∗}/∂lnr, is stable along a direction intermediate between major and minor axis; this gradient is crucial in any dynamical modeling that uses halo stars as tracers.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2017

Reticular Electronic Tuning of Porphyrin Active Sites in Covalent Organic Frameworks for Electrocatalytic Carbon Dioxide Reduction

Here, the electronic character of porphyrin active sites for electrocatalytic reduction of CO 2 to CO in a two-dimensional covalent organic framework (COF) was tuned by modification of the reticular structure. Efficient charge transport along the COF backbone promotes electronic connectivity between remote functional groups and the active sites and enables the modulation of the catalytic properties of the system. A series of oriented thin films of these COFs was found to reduce CO 2 to CO at low overpotential (550 mV) with high selectivity (faradaic efficiency of 87%) and at high current densities (65 mA/mg), a performance well beyond related molecular catalysts in regard to selectivity and efficiency. The catalysts are stable for more than 12 h without any loss in reactivity. X-ray absorption measurements on the cobalt L-edge for the modified COFs enable correlations between the inductive effects of the appended functionality and the electronic character of the reticulated molecular active sites.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2014

Plane shear flows of frictionless spheres: Kinetic theory and 3D soft-sphere discrete element method simulations

We use existing 3D Discrete Element simulations of simple shear flows of spheres to evaluate the radial distribution function at contact that enables kinetic theory to correctly predict the pressure and the shear stress, for different values of the collisional coefficient of restitution. Then, we perform 3D Discrete Element simulations of plane flows of frictionless, inelastic spheres, sheared between walls made bumpy by gluing particles in a regular array, at fixed average volume fraction and distance between the walls. The results of the numerical simulations are used to derive boundary conditions appropriated in the cases of large and small bumpiness. Those boundary conditions are, then, employed to numerically integrate the differential equations of Extended Kinetic Theory, where the breaking of the molecular chaos assumption at volume fraction larger than 0.49 is taken into account in the expression of the dissipation rate. We show that the Extended Kinetic Theory is in very good agreement with the numerical simulations, even for coefficients of restitution as low as 0.50. When the bumpiness is increased, we observe that some of the flowing particles are stuck in the gaps between the wall spheres. As a consequence, the walls are more dissipative than expected, and the flows resemble simple shear flows, i.e., flows of rather constant volume fraction and granular temperature.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2023

Direct Visualization of Localized Vibrations at Complex Grain Boundaries

Abstract Grain boundaries (GBs) are a prolific microstructural feature that dominates the functionality of a wide class of materials. The functionality at a GB results from the unique atomic arrangements, different from those in the grain, that have driven extensive experimental and theoretical studies correlating atomic‐scale GB structures to macroscopic electronic, infrared optical, and thermal properties. In this work, a SrTiO 3 GB is examined using atomic‐resolution aberration‐corrected scanning transmission electron microscopy and ultrahigh‐energy‐resolution monochromated electron energy‐loss spectroscopy, in conjunction with density functional theory. This combination enables the correlation of the GB structure, nonstoichiometry, and chemical bonding with a redistribution of vibrational states within the GB dislocation cores. The new experimental access to localized GB vibrations provides a direct route to quantifying the impact of individual boundaries on macroscopic properties.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Frequency‐Locked Wireless Multifunctional Surface Acoustic Wave Sensors

Abstract Surface acoustic waves (SAWs) have shown great potential for developing sensors for structural health monitoring (SHM) and lab‐on‐a‐chip (LOC) applications. Existing SAW sensors mainly rely on measuring the frequency shifts of high‐frequency (e.g., >0.1 GHz) resonance peaks. This study presents frequency‐locked wireless multifunctional SAW sensors that enable multiple wireless sensing functions, including strain sensing, temperature measurement, water presence detection, and vibration sensing. These sensors leverage SAW resonators on piezoelectric chips, inductive coupling‐based wireless power transmission, and, particularly, a frequency‐locked wireless sensing mechanism that works at low frequencies (e.g., <0.1 GHz). This mechanism locks the input frequency on the slope of a sensor's reflection spectrum and monitors the reflection signal's amplitude change induced by the changes of sensing parameters. The proof‐of‐concept experiments show that these wireless sensors can operate in a low‐power active mode for on‐demand wireless strain measurement, temperature sensing, and water presence detection. Moreover, these sensors can operate in a power‐free passive mode for vibration sensing, with results that agree well with laser vibrometer measurements. It is anticipated that the designs and mechanisms of the frequency‐locked wireless SAW sensors will inspire researchers to develop future wireless multifunctional sensors for SHM and LOC applications.

Bo, Luyu↗
DOE OSTI2019

Trifunctional Electrode Additive for High Active Material Content and Volumetric Lithium-Ion Electrode Densities

The use of electrode additives such as binder and conductive additive (CA) in addition to high pore volume for electrolytes, results in reduced volumetric energy densities of all battery electrodes. Here, it is proposed to use poly(furfuryl alcohol) (PFA) conductive resin as a trifunctional electrode additive to replace polyvinylidene fluoride (PVDF) and CA while simultaneously enabling low porosity electrode function. The resultant PFA binder has a long-range ordered structure of conjugated diene, which allow electronic conductivity that leads to a CA-free electrode fabrication process. The oxygen heteroatoms in the PFA structure reduce the diffusion barriers of lithium ions, lowers the amount of required electrolyte/pore volume and thus, increasing electrode density. Serving as a trifunctional electrode additive, a high electrode density of 2.65 g cm -3 of the LiFePO 4 (LFP) electrode and therefore the highest volumetric energy density of 1551 Wh L -1 so far. The LFP electrode using PFA binder can achieve a capacity retention of ≈ 80% and Coulombic efficiency of over 99.9% after cycling for 500 times. The presented in situ polymerization strategy could revolutionize the electrode process, with the advantages of being simple, environmentally friendly, and easily scalable to industrial applications.

25 ENERGY STORAGE↗
DOE OSTI2015

Linking Semiconductor Nanocrystals into Gel Networks through All‐Inorganic Bridges

Abstract For colloidal semiconductor nanocrystals (NCs), replacement of insulating organic capping ligands with chemically diverse inorganic clusters enables the development of functional solids in which adjacent NCs are strongly coupled. Yet controlled assembly methods are lacking to direct the arrangement of charged, inorganic cluster‐capped NCs into open networks. Herein, we introduce coordination bonds between the clusters capping the NCs thus linking the NCs into highly open gel networks. As linking cations (Pt 2+ ) are added to dilute (under 1 vol %) chalcogenidometallate‐capped CdSe NC dispersions, the NCs first form clusters, then gels with viscoelastic properties. The phase behavior of the gels for variable [Pt 2+ ] suggests they may represent nanoscale analogues of bridged particle gels, which have been observed to form in certain polymer colloidal suspensions.

Singh, Amita↗
DOE OSTI2015

Linking Semiconductor Nanocrystals into Gel Networks through All‐Inorganic Bridges

Abstract For colloidal semiconductor nanocrystals (NCs), replacement of insulating organic capping ligands with chemically diverse inorganic clusters enables the development of functional solids in which adjacent NCs are strongly coupled. Yet controlled assembly methods are lacking to direct the arrangement of charged, inorganic cluster‐capped NCs into open networks. Herein, we introduce coordination bonds between the clusters capping the NCs thus linking the NCs into highly open gel networks. As linking cations (Pt 2+ ) are added to dilute (under 1 vol %) chalcogenidometallate‐capped CdSe NC dispersions, the NCs first form clusters, then gels with viscoelastic properties. The phase behavior of the gels for variable [Pt 2+ ] suggests they may represent nanoscale analogues of bridged particle gels, which have been observed to form in certain polymer colloidal suspensions.

Singh, Amita↗
DOE OSTI2026

Toluene Uptake and Outgassing by a 3D-Printed Silicone and the Impact on Mechanical Performance

Silicone elastomers have advantageous physical properties and are widely used in various applications. Additive manufacturing (AM) of silicones provides additional utility by enabling tunable mechanical and functional properties. However, the performance of these elastomers deteriorates over time with exposure to environmental stressors. Organic solvents and volatile organic compounds (VOCs) are stressors that can cause dimensional changes to silicones with exposure and impact the overall function. Yet, the effects of such exposure on mechanical performance, including load response (LR), are not well understood. Here, in this study, we investigated the impact of a nonpolar solvent, toluene, on AM silicone material properties and compressive load. We observed that AM silicones rapidly absorbed toluene and swelled, leading to an increase in relative LR. Toluene concentration and compression did not affect uptake or swelling rates. In contrast, outgassing rates were slower for compressed coupons compared to uncompressed specimens, attributed to geometric constraints and polymer network changes impacting toluene diffusion outward. Compression also pinned the AM silicones at an enlarged state, significantly reducing relative LR after outgassing. Depending on toluene concentrations and compression, AM silicones can remain robust against toluene exposure and recover their initial printing geometry and mechanical performance after toluene outgassing and polymer relaxation.

Materials science↗
DOE OSTI2018

A Solvent-Free Synthesis of Lignin-Derived Renewable Carbon with Tunable Porosity for Supercapacitor Electrodes

Synthesis of multiphase materials from lignin, a biorefinery coproduct, offers limited success owing to the inherent difficulty in controlling dispersion of these renewable hyperbranched macromolecules in the product or its intermediates. Effective use of the chemically reactive functionalities in lignin, however, enables tuning morphologies of the materials. Here in this study, we bind lignin oligomers with a rubbery macromolecule followed by thermal crosslinking to form a carbon precursor with phase contrasted morphology at submicron scale. The solvent-free mixing is conducted in a high-shear melt mixer. With this, the carbon precursor is further modified with potassium hydroxide for a single-step carbonization to yield activated carbon with tunable pore structure. A typical precursor with 90 % lignin yields porous carbon with 2120 m 2 g -1 surface area and supercapacitor with 215 F g -1 capacitance. Lastly, the results show a simple route towards manufacturing carbon-based energy-storage materials, eliminating the need for conventional template synthesis.

36 MATERIALS SCIENCE↗