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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 685 records · Page 38
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Emerging Technologies for Improved Plug Load Management Systems: Learning Behavior Algorithms and Automatic and Dynamic Load Detection

Plug loads are responsible for a significant portion of the energy consumed in commercial buildings, yet their distributed and ever-changing nature makes them one of the most challenging building end uses to manage. Plug load management systems exist today that utilize smart plugs to meter and control devices at the outlet level, however, their uptake has been relatively slow in part due to the significant labor required for installation and maintenance. Learning behavior algorithms and automatic and dynamic load detection have been identified as two technology areas that could accelerate the adoption of plug load management systems by reducing these labor demands and providing additional energy efficiency and non-energy benefits. Learning behavior algorithms learn occupant behavior and adjust plug load management systems accordingly, allowing for the automatic creation of optimized control schedules. Automatic and dynamic load detection allows a plug load management system to identify devices as they are plugged in to a building and keeps the system up to date as devices are moved throughout a building. In this paper, we present our findings with respect to the current state of these two technologies based on a review of existing research and patents, as well as a series of interviews with companies working in the plug load space. We have found that, as of now, no commercialized solutions exist for these plug load technologies and that more work is needed to bring them to market. In addition, we summarize our findings related to the technology challenges, market barriers, drivers, and opportunities for these technologies moving forward.

30 DIRECT ENERGY CONVERSION↗
DOE OSTI2026

Nanoscale strain wave generation by a piezoelectric grating from polar vortices

Nanostructures formed by spontaneously broken symmetry have provided new ways to manipulate quantum states. Specifically, topological structures with periodic spatial ordering, such as polar vortices and skyrmions, can be ideal hosts for creating engineered responses in both spatial and frequency domains. So far, however, only a few examples of such hierarchical engineering have been reported in the literature. Here we demonstrate that the spatially modulated piezoelectric response of a polar vortex structure can create strain waves with a characteristic nanoscale wavefront. Using time-resolved pump–probe resonant X-ray scattering and diffraction measurements, coupled with dynamical phase-field simulations, we show that the piezoelectric modulation of the spontaneously formed polar vortex crystal functions as an acoustic diffraction grating. This system converts incoming laterally uniform strain waves into outgoing waves with a characteristic sub-terahertz frequency, driven by an intrinsic excitation of the polar vortex crystal. Moreover, our phase-field simulations suggest that the dynamic mechanical displacements exhibiting vortex textures are generated from both space- and time-varying piezoelectric responses. Our findings illustrate a new method for generating nanoscale strain waves with unique spatial textures by tuning the hierarchical order of polar topologies to engineer new collective modes, allowing for a wide range of control through the topological lattice.

ferroelectrics↗
DOE OSTI2022

MEASUREMENT OF THE GENERALIZED POLARIZABILITIES OF THE PROTON IN VIRTUAL COMPTON SCATTERING

Understanding how the visible matter in the universe arises from its elementary quark and gluon constituents is a central question for science. The visible world is founded on the proton, the only composite building block of matter that is stable in nature. Consequently, understanding the formation of matter relies on explaining the dynamics and the properties of the proton?s bound state. A fundamental property of the proton involves the system?s response to an external electromagnetic (EM) field. It is characterized by the EM polarizabilities that describe how easily the charge and magnetization distributions inside the system are distorted by the EM field. When the polarizabilities are generalized to finite momentum transfer, their Fourier transform can map out the spatial distribution of the polarization densities in a proton subject to an EM field. This thesis focuses on the measurement of the proton generalized polarizabilities (GPs) at low four-momentum transfer in experimental Hall C at the Thomas Jefferson National Accelerator Facility (TJNAF). Among the six independent GPs, we will focus on the electric (aE1) and the magnetic (bM1) scalar GPs. The GPs can be accessed through measurements of the Virtual Compton Scattering reaction, by replacing the incoming real photon of the Compton scattering process with a space-like virtual photon. The outgoing real photon provides the EM perturbation to the system. In addition, the Dispersion Relation Formalism is used for generalized polarizability extraction. In this work, the two scalar GPs measured with unprecedented precision, and the measurements help explore a momentum transfer region where an anomalous enhancement of the electric GP that contradicts the predictions of nuclear theory has been observed.

Li, Ruonan↗
DOE OSTI2022

A Survey on Sustainable Software Ecosystems to Support Experimental and Observational Science at Oak Ridge National Laboratory

In the search for a sustainable approach for software ecosystems that supports experimental and observational science (EOS) across Oak Ridge National Laboratory (ORNL), we conducted a survey to understand the current and future landscape of EOS software and data. This paper describes the survey design we used to identify significant areas of interest, gaps, and potential opportunities, followed by a discussion on the obtained responses. The survey formulates questions about project demographics, technical approach, and skills required for the present and the next five years. The study was conducted among 38 ORNL participants between June and July of 2021 and followed the required guidelines for human subjects training. We plan to use the collected information to help guide a vision for sustainable, community-based, and reusable scientific software ecosystems that need to adapt effectively to: i) the evolving landscape of heterogeneous hardware in the next generation of instruments and computing (e.g. edge, distributed, accelerators), and ii) data management requirements for data-driven science using artificial intelligence.

Bernholdt, David↗
DOE OSTI2024

Shifting Between Compute and Memory Bounds: A Compression-Enabled Roofline Model

In the evolving landscape of high-performance computing, especially to fight the end of Moore’s Law and Dennard’s Scaling, the ability to shift between compute-bound and memory-bound states is critical for enhancing adaptability and flexibility to diverse system and domain-specific architectures. Such capability is vital for optimizing performance across distinguished hardware configurations, such as accelerators, memory hierarchies, and cache systems. Despite that ad hoc optimization techniques, such as compressed/approximate computation, have been enabled for compute-/data-intensive computing for improved performance in distinct hardware settings, there lacks an understanding of 1) the rational behind performance improvement; 2) capability of different optimizations; 3) what optimization to respond to specific computational and memory demands. This work proposes a compression-enabled roofline model to facilitate this adaptability with data compression techniques to balance and transform between computational and memory demands. This model enables applications to adjust in response to the specific strengths and limitations of the underlying hardware and system to optimize resource utilization. The effectiveness of this approach is demonstrated with matrix multiplication kernels on different input sizes, with turning on/off various compression techniques, including 1) low-precision floating point; 2) sparse matrix formulation; and 3) compressed arrays with ZFP. By reducing memory transfer volumes and cache misses and increasing data locality and computational intensity through compression, the specific roofline model can transform between compute and memory bounds to align more efficiently with system capabilities. This advancement not only improves overall performance but also maximizes adaptability in diverse computing environments.

Naraparaju, Ramasoumya [University of Washington]↗
DOE OSTI2023

Simulation of Impedance Changes with Aging in Lithium Titanate-based Cells Using Physics-Based Dimensionless Modeling

Quantifying aging effects in lithium-ion cells with chemistries that have a flat open circuit potential is challenging. We implement a physics-based electrochemical model to track changes in the electrochemical impedance response of lithium titanate-based cells. Frequency domain equations of a pseudo two-dimensional model are made dimensionless, and the corresponding non-dimensional parameters are estimated using a Levenberg-Marquardt routine. The model weighs the relative contributions of changes in diffusion, ionic conduction within the electrolyte phase against solid phase electronic conduction towards cell aging. Solid-phase diffusion, charge transfer resistance and double layer capacitance at the solid-liquid interface are accounted for in the particle impedance. The estimation routine tracks dimensionless parameters using accelerated cycling data from full cells over 1000 cycles. The model can be deployed within a short time for state estimation using physics-based models without requiring prior knowledge of the battery chemistry, format, or capacity.

25 ENERGY STORAGE↗
DOE OSTI2023

Experiential findings for sustainable software ecosystems to support experimental and observational science

In the search for a sustainable approach for software ecosystems that supports experimental and observational science (EOS) across Oak Ridge National Laboratory (ORNL), we conducted a survey to understand the current and future landscape of EOS software and data. This paper describes the survey design we used to identify significant areas of interest, gaps, and potential opportunities, followed by a discussion on the obtained responses. The survey formulates questions about project demographics, technical approach, and skills required for the present and the next five years. Here, the study was conducted among 38 ORNL participants between June and July of 2021 and followed the required guidelines for human subjects training. We plan to use the collected information to help guide a vision for sustainable, community-based, and reusable scientific software ecosystems that need to adapt effectively to: (i) the evolving landscape of heterogeneous hardware in the next generation of instruments and computing (e.g. edge, distributed, accelerators), and (ii) data management requirements for data-driven science using artificial intelligence.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2020

Solvent Mediated Excited State Proton Transfer in Indigo Carmine

Excited state proton transfer (ESPT) is thought to be responsible for the photostability of biological molecules, including DNA and proteins, and natural dyes such as indigo. However, the mechanistic role of the solvent interaction in driving ESPT is not well understood. Here, the electronic excited state deactivation dynamics of indigo carmine (InC) is mapped by visible pump-infrared probe and two-dimensional electronic-vibrational (2DEV) spectroscopy and complemented by electronic structure calculations. The observed dynamics reveal notable differences between InC in a protic solvent, D$_2$O , and an aprotic solvent, deuterated dimethyl sulfoxide (dDMSO). Notably, an acceleration in the excited state decay is observed in D$_2$O (<10 ps) compared to dDMSO (130 ps). Our data reveals clear evidence for ESPT in D$_2$O accompanied by a significant change in dipole moment, which is found not to occur in dDMSO. We conclude that the ability of protic solvents to form intermolecular H-bonds with InC enables ESPT, which facilitates a rapid nonradiative S$_1$ → S$_0$ transition via the monoenol intermediate.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2023

Ultrafast Wavefront Shaping via Space-Time Refraction

A myriad of metasurfaces have been demonstrated that manipulate light by spatially structuring thin optical layers. Manipulation of the optical properties of such layers in both space and time can unlock new physical phenomena and enable new optical devices. Examples include photon acceleration and frequency conversion, which modifies Snell’s relation to a more general, nonreciprocal form. Here, we combine theory and experiment to realize wavefront shaping and frequency conversion on subpicosecond time-scales by inducing space-time refractive index gradients in epsilon-near-zero (ENZ) films with femtosecond light pulses. Furthermore, we experimentally tune wavefront steering by controlling the incident angle of the beams and the pump–probe delay without the need for nanostructure fabrication. As a demonstration of this approach, we leverage the ultrafast, high-bandwidth optical response of transparent oxides in their ENZ wavelength range to create large refractive index gradients and new types of nonreciprocal, ultrafast two-dimensional (2D) optics, including an ultrathin transient lens.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Linear and nonlinear optical responses in the chiral multifold semimetal RhSi

Chiral topological semimetals are materials that break both inversion and mirror symmetries. They host interesting phenomena such as the quantized circular photogalvanic effect (CPGE) and the chiral magnetic effect. In this work, we report a comprehensive theoretical and experimental analysis of the linear and nonlinear optical responses of the chiral topological semimetal RhSi, which is known to host multifold fermions. We show that the characteristic features of the optical conductivity, which display two distinct quasi-linear regimes above and below 0.4 eV, can be linked to excitations of different kinds of multifold fermions. The characteristic features of the CPGE, which displays a sign change at 0.4 eV and a large non-quantized response peak of around 160 μA/V 2 at 0.7 eV, are explained by assuming that the chemical potential crosses a flat hole band at the Brillouin zone center. Our theory predicts that, in order to observe a quantized CPGE in RhSi, it is necessary to increase the chemical potential as well as the quasiparticle lifetime. More broadly, our methodology, especially the development of the broadband terahertz emission spectroscopy, could be widely applied to study photogalvanic effects in noncentrosymmetric materials and in topological insulators in a contact-less way and accelerate the technological development of efficient infrared detectors based on topological semimetals.

Materials Science↗
DOE OSTI2021

Battery Performance, Thermal, and Life Modeling for Southern California Edison (Cooperative Research and Development Final Report)

The objective of this project is to develop battery performance models, thermal models and life models for SCE to use in simulation and analysis of grid services involving energy storage. NREL will fit the models to three separate chemistries using test data provided by SCE. The dataset for each chemistry will include electrical, thermal and aging response to different temperatures and cycling conditions, measured under a variety of cell-level and module-level experiments described in SCE test protocol documents. Once tuned to a test dataset, the battery system model software will provide predictions of battery energy and power loss, and thus cycle and calendar life, for any energy storage grid service power profile of interest to SCE. The automated battery life modeling and simulation tool can also be applied to any other grid battery systems as long as necessary input data is available to accelerate battery model development and battery lifetime analysis.

25 ENERGY STORAGE↗
DOE OSTI2022

Ion and Electron Acceleration in Fully Kinetic Plasma Turbulence

Turbulence is often invoked to explain the origin of nonthermal particles in space and astrophysical plasmas. By means of 3D fully kinetic particle-in-cell simulations, we demonstrate that turbulence in low-β plasmas (β is the ratio of plasma pressure to magnetic pressure) accelerates ions and electrons into a nonthermal energy distribution with a power-law energy range. The ion spectrum is harder than the electron one, and both distributions get steeper for higher β. We show that the energization of electrons is accompanied by a significant energy-dependent pitch-angle anisotropy, with most electrons moving parallel to the local magnetic field, while ions stay roughly isotropic. We demonstrate that particle injection from the thermal pool occurs in regions of high current density. Parallel electric fields associated with magnetic reconnection are responsible for the initial energy gain of electrons, whereas perpendicular electric fields control the overall energization of ions. Our findings have important implications for the origin of nonthermal particles in space and astrophysical plasmas.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2023

Cadmium Magnesium Telluride for Next-Generation X-Ray Free Electron Laser, Synchrotron, and Many Other Applications

We developed a picosecond photodetector based on our Bridgman-grown and specially engineered cadmium magnesium telluride (Cd 1–x MgxTe) single crystal that is sensitive to both optical and X-ray pulses for coarse timing in free-electron laser applications. Cd 1–x MgxTe is a widebandgap semiconductor with potential applications, not only in optoelectronics, but also in particle physics as an intense pulse radiation detector for bremsstrahlung, X-ray/gamma-ray radiation, thermal neutrons, and medical imaging. For femtosecond optical and X-ray crosscorrelation, the material must have a very short lifetime, a condition that is opposite to that required for nuclear spectroscopy applications. At the same time, the material also needs to have a very low bulk leakage current, in the 10–90 nA range for voltages to even 1000 V. Hence, the ability to tailor or engineer the material is very crucial. Picosecond response and the crystal growth of this specially engineered Cd 1–x MgxTe material are presented. Furthermore, other characterization and transient measurements are discussed along with room-temperature semiconductor detector performance for other nuclear radiation detection applications.

36 MATERIALS SCIENCE↗
DOE OSTI2026

Bio-distribution and deposition of wildfire smoke chemicals into olfactory bulb and brain of rats after intranasal instillation

Epidemiological and experimental studies suggest wildfire smoke is a potential contributor to neurological dysfunction and associated with neuroinflammation. Using doses comparable to those encountered during intense wildfire events (200-300 μg/m 3 ), we explore the absorption, distribution, metabolism, and elimination (ADME) and pharmacokinetics of representative members of major chemical classes (acid, phenol, PAH, aldehyde) in inhaled wood smoke condensates. Male Sprague Dawley rats were intranasally instilled with smoldering eucalyptus woodsmoke extract (WSE) reconstituted in saline spiked with 14 C-labeled palmitic acid (PA), benzo[a]pyrene (B[a]P), catechol (CAT) or benzaldehyde (BZ). Serum was collected from 5 min to 2 weeks after exposure and tissues were collected at 0.5, 2, 4, 24 h and 2 weeks after exposure. Urine was collected over the 24 h exposure. Tissues were collected, rinsed in PBS and analyzed by accelerator mass spectrometry (AMS) for 14C-labeled chemicals. PA and B[a]P entered circulation slowly, reached maximum concentration (C max ) near 15 ng/mL at 2 h, and had circulating concentrations near 1/3 C max 24 h after exposure. CAT and BZ rapidly entered circulation and were mostly cleared at 2 h. Excess 14 C from all four chemicals was detected in olfactory bulb and brain over the first 24 h but only PA (or its metabolites) was retained in olfactory bulb, brain and kidney at 2 weeks post exposure. All excess 14 C was cleared from the lung at 2 weeks. Metabolite analysis of urine (CAT, BZ and B(a)P) dosed samples did not detect any parent compound. CAT and BZ were rapidly cleared. The slower uptake and clearance of PA or B[a]P or their reactive metabolites when dosed with WSE in brain and olfactory bulb potentially provide greater opportunity for inflammatory response. This study suggests that wildfire smoke chemicals can enter the brain directly from the nasal cavity to the olfactory bulb and via systemic circulation.

63 RADIATION, THERMAL, AND OTHER ENVIRON. POLLUTAN↗
DOE OSTI2025

Non-destructive electrochemical diagnosis of failure mechanisms in aqueous zinc batteries

The early detection of secondary reactions that affect the life and performance of zinc manganese oxide batteries requires a shift from conventional time-consuming and often destructive procedures to rapid lifetime-predictive techniques. In this work, an electrochemical approach is employed to elucidate independent signatures for four common types of failure mechanisms in zinc manganese dioxide (Zn||MnO2) batteries—namely, the loss of zinc inventory, the loss of active material at the cathode, electrolyte depletion, and increased cell impedance. Our findings, specific to coin cell configurations, reveal that each induced failure mechanism can be distinctively modeled and identified based on responses from the rest voltage and columbic-efficiency data for prompt detection. For instance, electrolyte depletion response manifests a distinctive abrupt (>80 %) decrease in columbic efficiency (CE) and charge-rest voltage (Vc) while the discharge-rest voltage remained constant at ~1.3 V. Furthermore, electrolyte rejuvenation of the cell increased the CE to >95 % and restored Vc from ~0.3 to >1.7 V. Recovery experiments and reference performance tests demonstrated consistency between electrochemical descriptors and their associated failure mechanisms. Further, the outcomes of this work provide valuable insights and data models for some of the dominant failure mechanisms present in zinc manganese battery chemistries, which are beneficial to accelerated early-lifetime diagnosis and advancement of Zn batteries development.

25 ENERGY STORAGE↗
DOE OSTI2025

Dynamic response of a freely rotating butterfly valve in the advanced test reactor – dynamic fluid-body interaction modeling

To regulate primary coolant flow in the Advanced Test Reactor (ATR), a butterfly valve was installed between the primary coolant pumps and the reactor core. If the mechanical connection between the valve's disk and its shaft ever fails, the disk will rotate freely. Rapid disk rotation may induce pressure surges that could damage upstream pipes. In the present work, the rotational trajectory and pressure evolution during a disk free-rotation scenario were analyzed via the dynamic fluid-body interaction (DFBI) approach in STAR-CCM+, with the movement of a solid being driven by the forces and moment/torque imposed by its surrounding fluid. Assuming a large initial opening angle, the disk accelerates slowly, but swiftly passes the closed position. As a result of the sudden valve closure, a pressure surge occurs in the upstream pipes, exceeding their maximum allowable pressure. Furthermore, the disk does not stabilize at the closed position but continually oscillates due to the unsteady nature of the coolant flow. Because of the significant and continuous water hammer effect, a fix to the butterfly valve is being implemented to prevent rapid valve closure due to failure at the valve's disk/shaft mechanical connection.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗
DOE OSTI2026

Development of an ultraprecise glue-free bimorph deformable mirror with a length of 460 mm

Lead zirconate titanate (PZT) bimorph mirrors are essential for performing multiple functions, such as beam shaping, wavefront correction, and dynamic focusing with adjustable beam sizes. They typically consist of a mirror substrate with PZT electrodes bonded to the substrate using a thin epoxy film. However, glue-bonded PZT mirrors exhibit low reproducibility in measurement results. One source of this variability is water absorption by the substrate’s epoxy adhesive during wet fabrication processes, such as elastic emission machining (EEM), which leads to swelling and deformation. Additionally, longer deformable bimorph mirrors require larger PZT electrodes, further complicating their design and fabrication, particularly during bonding and ultraprecise metrology. To address these challenges, silver nanoparticles were employed to bond PZT elements to the silicon (Si) mirror, eliminating the need for epoxy glue. Here, in this study, we developed an inorganic-glue-free PZT bimorph mirror with a length of 460 mm and 28 channels. The glue-free bonding method successfully ensured the high reproducibility of measurements after water immersion. This approach resulted in a shape error of only 0.41 nm root mean square after the figure correction process using an ultraprecise EEM process. Scanning acoustic tomography and basic response function tests confirmed the success of the bonding process, showing no critical voids. Furthermore, the shape changes induced by applying voltages to the PZT electrodes closely matched predictions obtained from simulations. These results demonstrate the reliability and precision of the proposed glue-free bonding technique, paving the way for improved performance of new PZT bimorph mirrors.

Ichii, Yoshio [SLAC National Accelerator Laborator↗
DOE OSTI2024

Save or spend? Diverging water‐use strategies of grasses and encroaching clonal shrubs

Abstract Shrub encroachment is one of the primary threats to mesic grasslands around the world. This dramatic shift in plant cover has the potential to alter ecosystem‐scale water budgets and responses to novel rainfall regimes. Understanding divergent water‐use strategies among encroaching shrubs and the grasses they replace is critical for predicting shifts in ecosystem‐scale water dynamics as a result of shrub encroachment, particularly if drought events become more frequent and/or severe in the future. In this study, we assessed how water‐use traits of a rapidly encroaching clonal shrub (Cornus drummondii) and a dominant C 4 grass (Andropogon gerardii) impact responses to changes in water availability in tallgrass prairie. We assessed intra‐annual change in depth of water uptake, turgor loss point and stomatal regulation in each species. Sampling took place at Konza Prairie Biological Station (northeastern KS, USA) during the 2021 and 2022 growing seasons. Cornus drummondiishifted from shallow to deep soil water sources across the 2021 and 2022 growing seasons. This plasticity in depth of water uptake facilitated a ‘wasteful’ water‐use strategy inC. drummondii, where stomatal conductance and transpiration rates continued to increase even when no further gain in photosynthetic rate occurred.A. gerardiiphotosynthetic rates and stomatal conductance were more variable through time and were more responsive to changes in leaf water potential thanC. drummondii. However, intra‐annual adjustment of turgor loss point was more pronounced inC. drummondii(Δπ TLP = −0.48 MPa ± 0.15 SD) than inA. gerardii(Δπ TLP = −0.29 MPa ± 0.19 SD). Synthesis. These results suggest thatC. drummondiiis highly resilient to changes in water availability in surface soils and will likely remain unaffected by future droughts unless they are severe enough to reduce the availability of deep soil water. Given that clonal shrubs are key invaders of grasslands world‐wide, increased leaf‐level water loss is expected to accelerate ecosystem‐level drying as clonal shrub encroachment proceeds in mesic grasslands.

Environmental Sciences & Ecology↗