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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 739 records · Page 41
All sourcesNASA NTRSDOE OSTI
DOE OSTI2016

A review of metasurfaces: Physics and applications

Metamaterials are composed of periodic subwavelength metal/dielectric structures that resonantly couple to the electric and/or magnetic components of the incident electromagnetic fields, exhibiting properties that are not found in nature. This class of micro- and nano-structured artificial media have attracted great interest during the past 15 years and yielded ground-breaking electromagnetic and photonic phenomena. However, the high losses and strong dispersion associated with the resonant responses and the use of metallic structures, as well as the difficulty in fabricating the micro- and nanoscale 3D structures, have hindered practical applications of metamaterials. Planar metamaterials with subwavelength thickness, or metasurfaces, consisting of single-layer or few-layer stacks of planar structures, can be readily fabricated using lithography and nanoprinting methods, and the ultrathin thickness in the wave propagation direction can greatly suppress the undesirable losses. Metasurfaces enable a spatially varying optical response (e.g. scattering amplitude, phase, and polarization), mold optical wavefronts into shapes that can be designed at will, and facilitate the integration of functional materials to accomplish active control and greatly enhanced nonlinear response. This paper reviews recent progress in the physics of metasurfaces operating at wavelengths ranging from microwave to visible. We provide an overview of key metasurface concepts such as anomalous reflection and refraction, and introduce metasurfaces based on the Pancharatnam–Berry phase and Huygens' metasurfaces, as well as their use in wavefront shaping and beam forming applications, followed by a discussion of polarization conversion in few-layer metasurfaces and their related properties. An overview of dielectric metasurfaces reveals their ability to realize unique functionalities coupled with Mie resonances and their low ohmic losses. In addition, we also describe metasurfaces for wave guidance and radiation control, as well as active and nonlinear metasurfaces. Finally, we conclude by providing our opinions of opportunities and challenges in this rapidly developing research field.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Probing large-scale UV background inhomogeneity associated with quasars using metal absorption

ABSTRACT We study large-scale UV background inhomogeneity in three-dimensions associated with the observed quasar populations at high redshift. We do this by measuring metal absorption through quasar absorption spectrum stacking as a function distance to closest quasar in SDSS-IV/eBOSS on 10 s of comoving megaparsec scales. We study both intergalactic medium absorbers and mixed circumgalactic medium absorbers and probe absorption in O vi, C iv, and Si iv, and Si iii. Overall, stronger high ionization species absorption is seen closer to quasars at 2.4 < z < 3.1. O vi absorption shows a particularly strong change, with effects in C iv evident in some cases, and more marginal effects in Si iii and Si iv. We further study 2.05 < z < 2.4 (with weak signs of increasing homogeneity with time) and explore the study of metal absorption as a function of integrated SDSS-r band flux quasar flux (yielding consistent but less significant results). While the metal absorption does show sensitivity to large-scale 3D quasar proximity, the current incomplete quasar samples limit detailed interpretation. This work does, however, demonstrate that UV background inhomogeneities exist on scales of several 10 s of comoving megaparsecs associated with quasars and that they can be measured with precision by examining metal absorption in the intergalactic medium.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2025

Cooperative effects in thin dielectric layers: Long-range Dicke superradiance

The realization and control of collective quantum effects so far have predominantly focused on cold atomic ensembles. Quantum photonic platforms, with their engineered Green's functions and integration capability of advanced solid-state quantum emitters, provide opportunities to explore regimes of light-matter interaction beyond the scope of atomic systems. In this work, we demonstrate that embedding quantum emitters within a thin dielectric layer fundamentally alters their collective radiative behavior. The optical modes in the dielectric layer mediate long-range dipole-dipole interactions between emitters, enabling both total and directional superradiance between emitters separated by several wavelengths. Crucially, this mechanism supports Dicke superradiance even in parameter regimes where standard settings fail to support an interaction, unveiling a dimensionality-driven enhancement of cooperative effects. By bridging many-body quantum optics and photonic engineering, our work reveals a distinct interplay between surrounding dimensionality and collective quantum dynamics. Experimental realization of these predictions, readily achievable in solid-state quantum optics platforms, paves the way for scalable, directional quantum light sources and frontiers in many-body quantum optics.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2018

Large proton cumulants from the superposition of ordinary multiplicity distributions

We construct here a multiplicity distribution characterized by large factorial cumulants (integrated correlation functions) from a simple combination of two ordinary multiplicity distributions characterized by small factorial cumulants. We find that such a model, which could be interpreted as representing two event classes, reproduces the preliminary data for the proton cumulants measured by the STAR collaboration at 7.7 GeV very well. This model then predicts very large values for the fifth and sixth order factorial cumulants, which can be tested in experiment.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2025

Improving Trustworthiness of Data-Driven Power Grid Contingency Analysis With Bayesian Residual Graph Neural Networks

The evolving energy landscape requires novel tools to efficiently perform contingency analysis and reliability assessment of power grids, potentially in real-time. The high computational cost of traditional power flow solvers limits their applicability in practice. Machine learning (ML) surrogates such as deep neural networks (NNs) accelerate power flow solvers computations, enabling high-order contingency analysis and real-time decision-making by learning highly nonlinear functions and integrating grid topology via graph architectures. However, (graph) NNs lack predictive power away from training data and do not provide predictive confidence estimates. Here, we present a Bayesian residual graph NN that integrates knowledge from low-fidelity data via residual training and embeds granular quantification of uncertainties, improving trustworthiness critical for high-consequence decision-making. Applying Bayesian concepts to NNs is challenging due to the high-dimensionality of both the parameter space, complicating derivation of a meaningful prior, and the output space in large grid systems, requiring enhanced techniques to assess the predicted high-dimensional uncertainties. Our contributions include: (1) Deriving a prior for fully connected and graph NNs that leverages low-fidelity data to guide mean predictions and appropriately control prior predictive uncertainty. (2) Integrating this prior within an ensembling with anchoring scheme for efficient approximate posterior inference. (3) Deriving enhanced metrics to assess accuracy of both the mean and uncertainty predictions in high dimensions, appropriately accounting for correlations propagated through graph layers. The resulting Bayesian residual graph NN is tested on a contingency analysis task for 14-bus and 118-bus grids.

24 - POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2014

TH-C-BRD-02: Analytical Modeling and Dose Calculation Method for Asymmetric Proton Pencil Beams

Purpose: A dynamic collimation system (DCS), which consists of two pairs of orthogonal trimmer blades driven by linear motors has been proposed to decrease the lateral penumbra in pencil beam scanning proton therapy. The DCS reduces lateral penumbra by intercepting the proton pencil beam near the lateral boundary of the target in the beam's eye view. The resultant trimmed pencil beams are asymmetric and laterally shifted, and therefore existing pencil beam dose calculation algorithms are not capable of trimmed beam dose calculations. This work develops a method to model and compute dose from trimmed pencil beams when using the DCS. Methods: MCNPX simulations were used to determine the dose distributions expected from various trimmer configurations using the DCS. Using these data, the lateral distribution for individual beamlets was modeled with a 2D asymmetric Gaussian function. The integral depth dose (IDD) of each configuration was also modeled by combining the IDD of an untrimmed pencil beam with a linear correction factor. The convolution of these two terms, along with the Highland approximation to account for lateral growth of the beam along the depth direction, allows a trimmed pencil beam dose distribution to be analytically generated. The algorithm was validated by computing dose for a single energy layer 5×5 cm{sup 2} treatment field, defined by the trimmers, using both the proposed method and MCNPX beamlets. Results: The Gaussian modeled asymmetric lateral profiles along the principal axes match the MCNPX data very well (R{sup 2}≥0.95 at the depth of the Bragg peak). For the 5×5 cm{sup 2} treatment plan created with both the modeled and MCNPX pencil beams, the passing rate of the 3D gamma test was 98% using a standard threshold of 3%/3 mm. Conclusion: An analytical method capable of accurately computing asymmetric pencil beam dose when using the DCS has been developed.

07 ISOTOPE AND RADIATION SOURCES↗
DOE OSTI2015

TU-G-BRD-02: Automated Systematic Quality Assurance Program for Radiation Oncology Information System Upgrades

Purpose: To: (1) describe an independent, automated, systematic software-based protocol for verifying clinical data accuracy/integrity for mitigation of data corruption/loss risks following radiation oncology information system (ROIS) upgrades; and (2) report on application of this approach in an academic/community practice environment. Methods: We propose a robust approach to perform quality assurance on the ROIS after an upgrade, targeting four data sources: (1) ROIS relational database; (2) ROIS DICOM interface; (3) ROIS treatment machine data configuration; and (4) ROIS-generated clinical reports. We investigated the database schema for differences between pre-/post-upgrade states. Paired DICOM data streams for the same object (such as RT-Plan/Treatment Record) were compared between pre-/post-upgrade states for data corruption. We examined machine configuration and related commissioning data files for changes and corruption. ROIS-generated treatment appointment and treatment parameter reports were compared to ensure patient encounter and treatment plan accuracy. This protocol was supplemented by an end-to-end clinical workflow test to verify essential ROI functionality and integrity of components interfaced during patient care chain of activities. We describe the implementation of this protocol during a Varian ARIA system upgrade at our clinic. Results: We verified 1,638 data tables with 2.4 billion data records. For 222 under-treatment patients, 605 DICOM RT plans and 13,480 DICOM treatment records retrieved from the ROIS DICOM interface were compared, with no differences in fractions, doses delivered, or treatment parameters. We identified 82 new data tables and 78 amended/deleted tables consistent with the upgrade. Reports for 5,073 patient encounters over a 2-week horizon were compared and were identical to those before the upgrade. Content in 12,237 xml machine files was compared, with no differences identified. Conclusion: An independent QA/validation approach for ROIS upgrades was developed and implemented at our clinic. The success of this approach ensures a robust QA of ROIS upgrades without manual paper/electronic checks and associated intensive labor.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2020

Metagenomes in the Borderline Ecosystems of the Antarctic Cryptoendolithic Communities

Antarctic cryptoendolithic communities are microbial ecosystems dwelling inside rocks of the Antarctic desert. We present the first 18 shotgun metagenomes from these communities to further characterize their composition, biodiversity, functionality, and adaptation. Future studies will integrate taxonomic and functional annotations to examine the pathways necessary for life to evolve in the extremes.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2018

Density-Dependence of Nuclear Symmetry Energy: Role of QCD Chiral Phase Transition

The density-dependence of symmetry energy is of particular importance to many problems in nuclear physics and astrophysics. By using the functional path integral method, we show explicitly the relation between nuclear symmetry energy and isospin susceptibility. The latter one is found to be a probe to the QCD chiral phase transition. We further found in the Nambu-Jona-Lasinio model calculations that, the nuclear symmetry energy has an abrupt change at the critical nuclear density where the chiral symmetry restores partially.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2017

Active phase correction of high resolution silicon photonic arrayed waveguide gratings

Arrayed waveguide gratings provide flexible spectral filtering functionality for integrated photonic applications. Achieving narrow channel spacing requires long optical path lengths which can greatly increase the footprint of devices. High index contrast waveguides, such as those fabricated in silicon-on-insulator wafers, allow tight waveguide bends which can be used to create much more compact designs. Both the long optical path lengths and the high index contrast contribute to significant optical phase error as light propagates through the device. Thus, silicon photonic arrayed waveguide gratings require active or passive phase correction following fabrication. We present the design and fabrication of compact silicon photonic arrayed waveguide gratings with channel spacings of 50, 10 and 1 GHz. The largest device, with 11 channels of 1 GHz spacing, has a footprint of only 1.1 cm 2 . Using integrated thermo-optic phase shifters, the phase error is actively corrected. We present two methods of phase error correction and demonstrate state-of-the-art cross-talk performance for high index contrast arrayed waveguide gratings. As a demonstration of possible applications, we perform RF channelization with 1 GHz resolution. In addition, we generate unique spectral filters by applying non-zero phase offsets calculated by the Gerchberg Saxton algorithm.

36 MATERIALS SCIENCE↗
DOE OSTI2019

Cell-length heterogeneity: a population-level solution to growth/virulence trade-offs in the plant pathogen Dickeya dadantii

Necrotrophic plant pathogens acquire nutrients from dead plant cells, which requires the disintegration of the plant cell wall and tissue structures by the pathogen. Infected plants lose tissue integrity and functional immunity as a result, exposing the nutrient rich, decayed tissues to the environment. One challenge for the necrotrophs to successfully cause secondary infection (infection spread from an initially infected plant to the nearby uninfected plants) is to effectively utilize nutrients released from hosts towards building up a large population before other saprophytes come. In this study, we observed that the necrotrophic pathogen Dickeya dadantii exhibited heterogeneity in bacterial cell length in an isogenic population during infection of potato tuber. While some cells were regular rod-shape (<10μm), the rest elongated into filamentous cells (>10μm). Short cells tended to occur at the interface of healthy and diseased tissues, during the early stage of infection when active attacking and killing is occurring, while filamentous cells tended to form at a later stage of infection. Short cells expressed all necessary virulence factors and motility, whereas filamentous cells did not engage in virulence, were non-mobile and more sensitive to environmental stress. However, compared to the short cells, the filamentous cells displayed upregulated metabolic genes and increased growth, which may benefit the pathogens to build up a large population necessary for the secondary infection. The segregation of the two subpopulations was dependent on differential production of the alarmone guanosine tetraphosphate (ppGpp). When exposed to fresh tuber tissues or freestanding water, filamentous cells quickly transformed to short virulent cells. The pathogen adaptation of cell length heterogeneity identified in this study presents a model for how some necrotrophs balance virulence and vegetative growth to maximize fitness during infection.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2013

Sacramento Municipal Utility District PV and Smart Grid Pilot at Anatolia

Under DE-FOA-0000085 High Penetration Solar Deployment, the U. S. Department of Energy funded agreements with SMUD and Navigant Consulting, SunPower, GridPoint, the National Renewable Energy Laboratory, and the California Energy Commission for this pilot demonstration project. Funding was $5,962,409.00. Cost share of $500,000 was also provided by the California Energy Commission. The project has strategic implications for SMUD, other utilities and the PV and energy-storage industries in business and resource planning, technology deployment and asset management. These implications include: -At this point, no dominant business models have emerged and the industry is open for new ideas. -Demonstrated two business models for using distributed PV and energy storage, and brainstormed several dozen more, each with different pros and cons for SMUD, its customers and the industry. -Energy storage can be used to manage high penetrations of PV and mitigate potential issues such as reverse power flow, voltage control violations, power quality issues, increased wear and tear on utility equipment, and system wide power supply issues. - Smart meters are another tool utilities can use to manage high penetrations of PV. The necessary equipment and protocols exist, and the next step is to determine how to integrate the functionality with utility programs and what level of utility control is required. - Time-of-use rates for the residential customers who hosted energy storage systems did not cause a significant change in energy usage patterns. However, the rates we used were not optimized for PV and energy storage. Opportunities exist for utilities to develop new structures.

14 SOLAR ENERGY↗
DOE OSTI2017

Electronic Structure-Based Discovery of Hybrid Photovoltaic Materials on Next-Generation HPC Platforms

Organic and hybrid organic-inorganic materials other significant opportunities for applications in photovoltaics (PV) and other semiconductor applications. The versatility of organic synthesis affords broad flexibility in terms of fine-tuning the properties of the molecular components. For purely organic materials, the interfaces to inorganic electrodes are a key component that determines the efficiency of eventual devices. In organic-inorganic hybrid materials, atomic-scale inorganic components are integrated with the organic functionality to form tightly integrated, crystalline semiconductor materials with potentially entirely new electronic and carrier transport characteristics. In either organic-inorganic interfaces or hybrid materials, the key properties are governed by the details of the atomic structure, which is virtually impossible to foresee based on empirical criteria. Predictive simulations of the structure and electronic properties of such materials or interfaces would thus greatly enhance our ability to identify the most promising organic-inorganic combinations faster, reducing the need for time consuming experimental synthesis attempts while navigating a complex materials space.

14 SOLAR ENERGY↗
DOE OSTI2020

Initial development for the introduction of provisions for irradiation effects in Division 5 rules

Heat pipe microreactor concept involves the use of a solid core block to encapsulate the nuclear fuel and the passive extraction of heat from the core block to the heat exchanger block by advanced heat pipes. The core block is a key component of the heat pipe microreactor design. It integrates the functions of reactor vessel, core structural components and fuel cladding of traditional Gen IV advanced reactor designs into one single structure. The effects of irradiation on the structural failure modes are outside the scope of the rules of the ASME Boiler and Pressure Vessel Code, Section III, Division 5, Subsection HB, Subpart B for metallic Class A components. Methods to account for the irradiation effect were investigated in order to develop design methods that can be applied to the core block design in the heat pipe microreactor. This report presents an initial development of an approach to account for the irradiation effects in the design rules.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2017

Using Systems Approaches to Improve Photosynthesis and Water Use Efficiency in Sorghum

Throughout the 5 years of this project, 8 labs coordinated to make significant progress on our understanding of how C4 grasses, which include some of our most important crops, can use water more efficiently. We took an integrated approach, using physiology to study how to improve photosynthesis, how to manipulate the pores that move water and CO2 in and out of leaves and the formation and structure of roots. We coupled that with genetic and computational approaches to identify the genes controlling these traits and then used modeling to understand how the genomic system integrates the functions of the genes. We then developed synthetic biology approaches to manipulate the genes and gene editing and plant transformation approaches to insert those traits into a model C4 grass and the bioenergy crop Sorghum bicolor. Through the course of the project, we developed new software tools and genetic resources, filed 5 patents and published 46 papers. We made significant contributions to the bioeconomy through the training of undergraduates, graduate students and postdoctoral researchers. In addition to addressing the specific objectives, our work on this project led to several new and exciting outcomes. We were also to use our expertise and efforts to contribute to many community efforts.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2024

SPARC-X: Quantum simulations at extreme scale - reactive dynamics from first principles

We have developed the massively parallel electronic structure code SPARC-X: a computational framework for performing Kohn-Sham Density Functional Theory (DFT) calculations that can scale linearly with the number of atoms in the system, while being able to leverage petascale and emerging exascale parallel computers to study chemical phenomena at unprecedented length and time scales. SPARC-X exploits a recent breakthrough in electronic structure methodologies: systematically improvable, strictly local, orthonormal, discontinuous real-space bases that efficiently and systematically capture the local chemistry of the system. With further adaptation using new machine-learning techniques and the use of the massively parallel Spectral Quadrature (SQ) electronic structure method, the algorithmic complexity and prefactor associated with DFT calculations involving semilocal as well as hybrid functionals are dramatically reduced. Using petascale computational resources, SPARC-X enables quantum mechanical simulations at length and time scales previously accessible only by empirical approaches, e.g., 1,000,000 atoms for a few picoseconds using semilocal functionals or 1,000 atoms for a few picoseconds using hybrid functionals. Using exascale resources, the sizes and times targeted are two orders of magnitude larger. Such a capability has applications in a wide variety of chemical sciences, including reactive interfaces where large length- and/or long time-scales are needed and traditional force fields fail. This is particularly important in dynamic catalysis, where bond breaking and formation must be understood in detail. We developed, tested, and employed the SPARC-X framework to understand the photocatalytic properties of TiO 2 nanoparticles, revealing finite size effects that cannot be captured with standard model systems or functionals. This integrated development and application strategy ensures that SPARC-X remains a robust, efficient, and scalable software package for quantum simulations on current petascale and emerging exascale computing resources.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2024

2.3.3.01- xSDK-Batched Final Report for Subcontract Partner KIT

The xSDK batched effort as focus effort of the ECP project xSDK focused on the development, deployment, and dissemination of batched functionality in the US Exascale Computing Project. Over a duration of almost three years, KIT as subcontract to LLNL provided technology development, functionality deployment, integration support, and consulting on batched iterative solvers and batched preconditioners. This final report accumulates the quarterly progress reports and most significant contributions.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2020

Crack Growth Rate and Fracture Toughness Tests on Irradiated Ex-Plant Materials

The performance of structural materials is critical for the safe and economic operation of light water reactors. Exposed to neutron irradiation during service, the reactor core internal materials can undergo significant microstructural and microchemical changes, leading to irradiation hardening and embrittlement. To ensure the structural integrity and functionality of nuclear reactor components during long-term operation, material degradation and damage mechanisms must be understood and managed adequately. In this work, irradiated materials harvested from the decommissioned Zorita reactor were studied for their cracking susceptibility and fracture resistance as a function of irradiation dose up to 47 displacement per atom (dpa). The material is a Type 304 stainless steel sectioned from the baffle plates of this pressurized water reactor with 38 years of service. Crack growth rate and fracture toughness J-resistance (J-R) curve tests were performed in low-corrosion-potential environments at ~315°C. All samples behaved similarly under cyclic loading, and no deteriorated corrosion-fatigue behavior was observed in the test environments. Under constant stress intensity factors, most samples did not show elevated crack growth rates, suggesting an adequate stress corrosion cracking resistance in the test environments. However, an unstable cracking behavior was observed in a 47-dpa sample, resulting in significantly higher crack growth rates than expected at high stress intensity factors. Crack instability was also observed in a 0.06-dpa sample but did not lead to a sustained high crack growth rate. The impact of neutron irradiation was more evident in the fracture toughness J-R curve tests. As the dose increased, the J-R curve declined considerably and became very shallow at high doses. A fully intergranular fracture morphology was also observed among the high-dose samples ruptured in an air atmosphere at room temperature. This brittle fracture mode in the absence of high temperature water environment confirmed a high degree of embrittlement of this material resulting from its service exposure to neutron irradiation.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗