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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 253 records · Page 14

A novel occupancy detection solution using low-power IR-FPA based wireless occupancy sensor

Significant energy savings can be achieved by operating heating, ventilation, and air conditioning control systems with indoor occupancy measurement information. This paper presents a novel plug-and-play occupancy sensing method which will enable temporal minimization of building energy consumption to meet building usage behavior without privacy concerns. The proposed wireless occupancy sensing platform is based on long-wave infra-red (LWIR) focal-plane arrays (FPAs), or thermal imagers, that detect thermal energy rather than visible light. We developed an advanced sensor package consisting of multiple thermal imagers with low-cost optical enhancements to increase field of view and increase sensitivity to occupant detection (filtering building clutter). These imagers can be coupled with radio frequency and ultrasonic-based radar to enhance data collection at key occupant zone boundaries to improve accuracy. Standard filtering and estimation techniques from the image processing and computer vision communities are introduced to overcome the accuracy issues suffered by traditional PIR based sensing, especially when occupants remain relatively still. Accurate low-level counting of individuals can be achieved with minimal impact on privacy. As a result, the proposed occupancy detection method can work as a retrofit to enable real-time understanding of the building operational state and usage behavior. Sensor data obtained from real test building zones was used to test the efficacy of the method.

24 POWER TRANSMISSION AND DISTRIBUTION↗

How well do local relations predict gas-phase metallicity gradients? Results from SDSS-IV MaNGA

ABSTRACT Gas-phase metallicity gradients in galaxies provide important clues to those galaxies’ formation histories. Using SDSS-IV MaNGA data, we previously demonstrated that gas metallicity gradients vary systematically and significantly across the galaxy mass–size plane: at stellar masses beyond approximately $10^{10}\, \mathrm{M_\odot }$, more extended galaxies display steeper gradients (in units of dex/Re) at a given stellar mass. Here, we set out to develop a physical interpretation of these findings by examining the ability of local ∼kpc-scale relations to predict the gradient behaviour along the mass–size plane. We find that local stellar mass surface density, when combined with total stellar mass, is sufficient to reproduce the overall mass–size trend in a qualitative sense. We further find that we can improve the predictions by correcting for residual trends relating to the recent star formation histories of star-forming regions. However, we find as well that the most extended galaxies display steeper average gradients than predicted, even after correcting for residual metallicity trends with other local parameters. From these results, we argue that gas-phase metallicity gradients can largely be understood in terms of known local relations, but we also discuss some possible physical causes of discrepant gradients.

79 ASTRONOMY AND ASTROPHYSICS↗

Develop a new integrated macro→micro←nano (MMN) multiscale modeling framework to optimize high strength aluminum alloys and processes for vehicle light-weighting​

Bending tests provide a means to study plane strain fracture performance of 6000 series aluminum alloys. Metrics from bending tests have been correlated with self-pierce riveting (SPR) performance of a high strength AA6111 automotive aluminum alloy in previous works. Using the ORNL HPC resources, this project developed an innovative macro→micro←nano (MMN) multiscale microstructure-based finite element (FE) code to further understanding of the relationship between microstructure and fracture properties of high-strength 6000-series alloys. This work started with microstructural characterization in both mesoscale and nanoscale and bending performance characterization of AA6111 HS2-T6 alloy at Ford, the MMN framework was applied to this alloy to simulate 3-point VDA bending. From the results of the macro-modeling of 3-point VDA bending, the critical region of fracture was identified, and the region geometry was used to construct the micro-model. The fracture criterion of micron-scale precipitates and aluminum matrix which contains submicron and nano particles (AL-SMP-NP) in the micro-model was calibrated and validated by comparing simulated and measured bending results. With the AL-SMP-NP fracture strain obtained, the fracture strain of Al-matrix containing nano particles (ALNP) will similarly be determined by a submicron scale-model using an edge-constrained FE modeling approach developed by Hu et al. With the ALNP fracture strain obtained, the fracture strain of Al-matrix containing no particles will similarly be determined by a nano scale-model using an edge-constrained FE modeling approach. After the MMN framework is built and fracture criterion calibrated, nano-model FE simulations with virtual microstructures was performed to obtain a reduced order model (ROM) of the fracture criterion of the ALNP as a function of volume fraction, size, and distribution of the nanoparticle. This nano→submicron→micro modeling part allows exploration of the influence of different material nanostructures from different process conditions on the bending properties within the multiscale bending simulation framework and the ROM of material bendability as a function of nanoparticle size and shape was established. This obtained reduced order model (ROM) could help guide the design and selection of materials to improve existing SPR process models that could replace trial-and-error rivet/die selection and help to design new rivet/die combinations capable of robustly joining new higher strength 6000 5 series alloys in automotive body structures. This would enable lightweighting of Ford vehicles leading to greater fuel efficiency and reduce manufacturing time and energy.

36 MATERIALS SCIENCE↗

Develop a new integrated macro→micro←nano (MMN) multiscale modeling framework to optimize high strength aluminum alloys and processes for vehicle light-weighting​

Bending tests provide a means to study plane strain fracture performance of 6000 series aluminum alloys. Metrics from bending tests have been correlated with self-pierce riveting (SPR) performance of a high strength AA6111 automotive aluminum alloy in previous works. Using the ORNL HPC resources, this project developed an innovative macro→micro←nano (MMN) multiscale microstructure-based finite element (FE) code to further the understanding of microstructural relationship to fracture properties of high strength 6000 series alloys.

36 MATERIALS SCIENCE↗

Transmission electron microscopy of the rapid solidification microstructure evolution and solidification interface velocity determination in hypereutectic Al-20at.%Cu after laser melting

The evolution of rapid solidification (RS) microstructure and solidification interface velocity has been studied experimentally by in-situ transmission electron microscopy and postmortem characterization for hypereutectic Al-20at.%Cu (37 wt.%Cu) after laser melting. Four morphologically distinct regions formed via growth modes changing from θ-Al 2 Cu phase dendrites to eutectic cell growth, possibly α-Al dendrite growth (α-cell), banded growth, and α-Al plane front growth. Tendency for faceting and low capacity for solute trapping limited the θ-phase dendrite growth to solidification interface velocity v < 0.07 m/s. Consequently, formation of pro-eutectic micro-constituent was suppressed, and RS microstructure formation was dominated by eutectic, α-cell, and banded morphology grains for the Al-20at.%Cu alloy. Eutectic growth operated for interface velocity of 0.1 m/s ≤ v < 0.3 m/s, with a transition from regular lamellar, 2-λ and 1-λ mode to a dense irregular morphology dominated by α-phase at v = 0.3 m/s. Interface temperature calculations indicated feasibility of α-cell growth mode for 0.3 m/s ≤ v < 0.7 m/s. Banded growth occurred for 0.7 m/s ≤ v < 1.3 m/s. Plane front α-phase growth was evident for interface velocities v ≥ 1.3 m/s. Previous work on rapid solidification microstructure development in hypereutectic Al-Cu alloys reported a regime of α-cell growth subsequently to eutectic and prior to transition to banded growth for Al-19at.%Cu (36 wt.%Cu), while for Al-22at.%Cu (40 wt.%Cu) eutectic growth transitioned directly to α-plane front growth without emergence of a banded regime. Finally, based on the current study the disappearance of the banded growth regime occurs for a composition larger than 20at.%Cu.

36 MATERIALS SCIENCE↗

Electronic structure orientation as a map of in-plane antiferroelectricity in β'-In 2 Se 3

Antiferroelectric (AFE) materials are excellent candidates for sensors, capacitors, and data storage due to their electrical switchability and high-energy storage capacity. However, imaging the nanoscale landscape of AFE domains is notoriously inaccessible, which has hindered development and intentional tuning of AFE materials. Here, we demonstrate that polarization-dependent photoemission electron microscopy can resolve the arrangement and orientation of in-plane AFE domains on the nanoscale, despite the absence of a net lattice polarization. Through direct determination of electronic transition orientations and analysis of domain boundary constraints, we establish that antiferroelectricity in β'-In 2 Se 3 is a robust property from the scale of tens of nanometers to tens of micrometers. Ultimately, the method for imaging AFE domain organization presented here opens the door to investigations of the influence of domain formation and orientation on charge transport and dynamics.

36 MATERIALS SCIENCE↗

Enabling fast charging of lithium-ion batteries through secondary-/dual- pore network: Part II - numerical model

To increase the market share of electric vehicles, it is desirable to reduce the battery charge times, which are significantly limited by poor electrolyte transport. A high rate charging is achievable by using expensive and low energy density cells with thin electrodes. For higher energy density cells, new electrolytes with improved conductivity and diffusivity and/or electrodes with advanced architecture are required to boost the electrolyte transport, leading to a more uniform utilization of active materials. In our previous work, an analytical model was developed to investigate the effect of secondary pore network (SPN) on electrolyte transport and the configuration of SPN was optimized by enforcing equal characteristic diffusion times in through-plane and in-plane directions. Here, to evaluate the effect of SPN on the fast-charging capability of lithium-ion batteries, a 2D physics-based electrochemical model is developed with SPN in either one or both electrodes. Additionally, the effect of SPN on cell energy density and lithium plating is investigated for cells with different loadings and electrode porosities. Combining SPN with elevated charging temperatures, the model predicts that the volumetric discharge energy density of a 3 mA h/cm2 cell can reach 270 Wh/L after a 6C constant-current charging.

25 ENERGY STORAGE↗

Focusing of light at the nanoapex of a metal microtip located above the plane of a dielectric or metal

We study the focusing of the optical electromagnetic radiation energy into a nanoscale spatial region in the vicinity of the nanoapex of a metal microtip located near a dielectric or metal plane. Focusing arises from a symmetric convergence of a surface plasmon TM wave at the nanoapex. The metal boundary near the nanoapex is approximated by a paraboloid of revolution. A numerical model, based on the method of moments, is developed to find the electric field near the tip apex. Calculation results show that, compared to a single tip, the presence of a plane leads to an additional concentration of the electric field near the nanoapex. (nanofocusing)

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Impact of Porous Transport Layer In-Plane Conduction on Spatially Resolved Current and EIS Measurements in a Proton Exchange Membrane Water Electrolyzer

An XY segmented cell was developed for low temperature PEM water electrolysis (PEMWE). The system can assess the local performance by enabling in situ measurements of spatial currents and impedances. In this work, we show through experiments, as well as through modelling work, that the porous transport layer (PTL) must be segmented to eliminate crosstalk. Accurate measurements are only possible when crosstalk is fully eliminated. The XY segmented cell is applied to a case study characterizing the impact of a PTL platinum coating void on spatial performance. The localized performance impact of the coating void is found to be orientation specific: coating voids facing the catalyst layer reduce performance significantly more than coating voids facing the flow field. The results suggest that the tolerances for PTL coating uniformity can be lower at the side facing the flow field. The work showcases the feasibility of the XY segmented cell for impact assessment studies. The presented XY segmented cell enables the characterization of spatial phenomena in PEMWE devices and is envisioned to support modeling efforts and the investigation of manufacturing related tolerances for mass produced PEMWE devices.

08 HYDROGEN↗

Finite Element Analysis and In-Situ Measurement of Out-of-Plane Distortion in Thin Plate TIG Welding

Transient distortion of thin plate in the welding process usually has a complicated mode and large magnitude. Quantitative measurement and prediction of full-field distortion are challenging and rarely reported up to now. In this study, the out-of-plane distortion of a thin plate during the Tungsten Inert Gas (TIG) welding process was measured using the digital image correlation (DIC) method. A simulation model based on thermal elastic–plastic finite element method (FEM) and DIC measured geometric imperfection were developed for accurate prediction of the transient welding distortion. The numerical results and experimental data agreed very well in both out-of-plane deformation modes and magnitudes of the plate at different stages of welding. The maximum out-of-plane distortion was larger than 4 mm during welding which can cause instability of arc length and heat input. The distance change between welding torch and plate surface was investigated under different initial deflections of the plate before welding. The plate with flat geometry shows the minimum transient and final gap change. In addition, the relationship between heat input and welding distortion was clarified through a series of numerical analyses. As a result, optimization of welding heat input can be performed based on numerical results to avoid excessive welding distortion.

36 MATERIALS SCIENCE↗

Magnetic properties of Fe-substituted NiBr 2 single crystals

NiBr 2 is a multiferroic material with an incommensurate magnetic ground state that has easy-plane anisotropy. This manuscript reports how the magnetic properties evolve with Fe substitution in Ni 1-x Fe x Br 2 single crystals for 0 0.17. A particular emphasis is placed on the = 0.055 crystal, for which magnetic phase diagrams were developed on the basis of anisotropic magnetization measurements. The observed phase evolution reveals a phase transition in the x = 0.055 crystal that is not present in NiBr 2 . The data also demonstrate that the easy-plane anisotropy of NiBr is altered by Fe substitution, with a finite easy-axis anisotropy developing at even the low concentration of x = 0.055. Overall, these results demonstrate that Fe substitution enables a fine-tuning of the magnetism in NiBr 2 , especially the magnetic anisotropy, and may therefore promote complex magnetic phases.

36 MATERIALS SCIENCE↗

3D, Real-time Label-free Visualization of Cellular Health

This work directly addresses a key question raised in TA7, Topic L1 of HDTRA1-16-24-FRCWMDCall, “Can quantum level changes be detected, mapped, and understood in the biological environment to allow faster diagnostic responses?” This work will use the inherently sensitive quantum property of a molecular excited state lifetime to visualize and map discrete, subtle nanometer-scale changes (e.g. NADPH vs NADH) that are key indicators of cellular health in response to chemical and biological threats and MCMs. It will also develop and exploit new, fast imaging light-sheet methods to allow faster diagnostic responses. This new imaging system will exploit time-correlated single photon counting and new advances in single-objective light-sheet microscopy (oblique plane microscopy) for fast, quantitative analysis of cellular redox state. We will add an entirely new dimension (excited state fluorescence lifetime) to oblique plane microscopy—a method that even without this added dimension was labeled by Nature Methods in 2021 as a ‘Method to Watch.’ Following instrument development and validation, we will explore cellular response to Burkholderia infections and antibiotic treatment in immortal cell lines followed by expansion to more realistic cellular environments (such as neuro-muscular junctions, NMJs) to test nerve agent simulants and their MCMs. As a microscopy platform, these methods hold the promise of being able to visualize a single infected cell (or a cellular compartment) and MCM treatment well before a larger and later organ/organism response.

47 OTHER INSTRUMENTATION↗

Probabilistic N - k failure-identification for power systems

This work considers a probabilistic generalization of the N - k failure-identification problem in power transmission networks, where the probability of failure of each component in the network is known a priori and the goal of the problem is to find a set of k components that maximizes disruption to the system loads weighted by the probability of simultaneous failure of the k components. The resulting problem is formulated as a bilevel mixed-integer nonlinear program. Convex relaxations, linear approximations, and heuristics are developed to obtain feasible solutions that are close to the optimum. A general cutting-plane algorithm is proposed to solve the convex relaxation and linear approximations of the N - k problem. Extensive numerical results corroborate the effectiveness of the proposed algorithms on small-, medium-, and large-scale test instances; the test instances include the IEEE 14-bus system, the IEEE single-area and three-area RTS96 systems, the IEEE 118-bus system, the WECC 240-bus test system, the 1354-bus PEGASE system, and the 2383-bus Polish winter-peak test system.

24 POWER TRANSMISSION AND DISTRIBUTION↗

Replacement of Calcite (CaCO 3 ) by Cerussite (PbCO 3 )

The mobility of toxic elements, such as lead (Pb) can be attenuated by adsorption, incorporation, and precipitation on carbonate minerals in subsurface environments. Here in this paper, we report a study of the bulk transformation of single-crystal calcite (CaCO 3 ) into polycrystalline cerussite (PbCO 3 ) through reaction with acidic Pb-bearing solutions. This reaction began with the growth of a cerussite shell on top of calcite surfaces followed by the replacement of the remaining calcite core. The external shape of the original calcite was preserved by a balance between calcite dissolution and cerussite growth controlled by adjusting the Pb 2+ concentration and pH. The relation between the rounded calcite core and the surrounding lath-shaped cerussite aggregates was imaged by transmission X-ray microscopy, which revealed preferentially elongated cerussite crystals parallel to the surface and edge directions of calcite. The replacement reaction involved concurrent development ~100 nm wide pores parallel to calcite c-glide or (1$\overline{20}$) planes, which may have provided permeability for chemical exchange during the reaction. X-ray reflectivity measurements showed no clear epitaxial relation of cerussite to the calcite (104) surface. These results demonstrate Pb sequestration through mineral replacement reactions and the critical role of nanoporosity (3% by volume) on the solid phase transformation through a dissolution-recrystallization mechanism.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Assessing Substitution Effects on Surface Chemistry by in Situ Ambient Pressure X-ray Photoelectron Spectroscopy on Perovskite Thin Films, BaCe x Zr 0.9– x Y 0.1 O 2.95 ( x = 0; 0.2; 0.9)

Performance of proton-solid oxide fuel cells (H+-SOFC) is governed by ion transport through solid/gas interfaces. Major breakthroughs are then intrinsically linked to a detailed understanding of how parameters tailoring bulk proton conductivity affect surface chemistry in situ, at an early stage. In this work, we studied proton and oxygen transport at the interface between H+-SOFC electrolyte BaCexZr0.9–xY0.1O2.95 (x = 0; 0.2; 0.9) thin films and the gas (100 mTorr of H2O and O2) by using synchrotron-based ambient pressure X-ray photoelectron spectroscopy at operating temperature (>400 °C). We developed highly textured BaCexZr0.9–xY0.1O2.95 epitaxial thin films, which exhibit high level of in-plane proton conductivity, that is, up to 0.08 S cm–1 at 500 °C for x = 0.9. Upon applying 100 mTorr water partial pressure above 300 °C, major changes are observed only in the O 1s and Y 3d core level spectra, with a clear Zr/Ce ratio dependency. OH– formation is favored by Ce content while initiated near Y. Hydration is also associated with surface secondary phase growth comprising oxygen-under-coordinated yttrium and/or yttrium hydroxide. With BaCe0.2Zr0.7Y0.1O2.95, high levels of ionic conductivities and chemical stability are obtained as a result of the optimized surface reaction kinetics, with low activation energy barrier for proton transport while restraining formation of OH–/SO42– adsorb species.

bio-inspired, energy storage (including batteries ↗

Characterization of elastic interactions in GaAs/Si composites by optically pumped nuclear magnetic resonance

Elastic interactions in GaAs/Si bilayer composite structures were studied by optically pumped nuclear magnetic resonance (OPNMR). The composites were fabricated by epoxy bonding of a single crystal of GaAs to a single crystal of Si at 373 K followed by selective chemical etching of the GaAs at room temperature to obtain a series of samples with GaAs thickness varying from 37 μm to 635 μm, while the Si support thickness remained fixed at 650 μm. Upon cooling to below 10 K, a biaxial tensile stress developed in the GaAs film due to differential thermal contraction. The strain perpendicular to the plane of the bilayer and localized near the surface of the GaAs was deduced from the quadrupolar splitting of the Gallium-71 OPNMR resonance. Strain relaxation by bowing of the composite was observed to an extent that depended on the relative thickness of the GaAs and Si layers. The variation of the strain with GaAs layer thickness was found to be in good agreement with a general analytical model for the elastic relationships in composite media.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Rapidly convergent cluster expansion and application to lithium ion battery materials

The convergence of a cluster expansion for lithium transition-metal (TM) oxides is improved by explicit treatment of TM magnetic moments. The approach is applied to layered LiC o y N i 1 - y O 2 (NC). The ground state and low-lying excited state structures are identified, and the distribution of TM ions and magnetic moment in those structures is investigated to explain the origin of Ni-antisite ions and Jahn-Teller distortion. In this work, the developed model also reveals the mechanisms governing the atomic arrangement of NC, including in-plane Co-Co vs Co-Ni competition, magnetic frustration vs disproportionation competition, and cationic interactions spanning adjacent layers.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Crystal truncation rods from miscut surfaces

Crystal truncation rods are used to study surface and interface structure. Since real surfaces are always somewhat miscut from a low index plane, it is important to study the effect of miscuts on crystal truncation rods. We develop a model that describes the truncation rod scattering from miscut surfaces that have steps and terraces. We show that nonuniform terrace widths and jagged step edges are both forms of roughness that decrease the intensity of the rods. Nonuniform terrace widths also result in a broad peak that overlaps the rods. We use our model to characterize the terrace width distribution and step edge jaggedness on three SrTiO 3 (001) samples, showing excellent agreement between the model and the data, confirmed by atomic force micrographs of the surface morphology. As a result, we expect our description of terrace roughness will apply to many surfaces, even those without obvious terracing.

36 MATERIALS SCIENCE↗