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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 1,009 records · Page 56
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Concerted proton–electron transfer reactions of manganese–hydroxo and manganese–oxo complexes

The enzymes manganese superoxide dismutase and manganese lipoxygenase use MnIII–hydroxo centres to mediate proton-coupled electron transfer (PCET) reactions with substrate. As manganese is earth-abundant and inexpensive, manganese catalysts are of interest for synthetic applications. Recent years have seen exciting reports of enantioselective C–H bond oxidation by Mn catalysts supported by aminopyridyl ligands. Such catalysts offer economic and environmentally-friendly alternatives to conventional reagents and catalysts. Mechanistic studies of synthetic catalysts highlight the role of Mn–oxo motifs in attacking substrate C–H bonds, presumably by a concerted proton–electron transfer (CPET) step. (CPET is a sub-class of PCET, where the proton and electron are transferred in the same step.) Knowledge of geometric and electronic influences for CPET reactions of Mn–hydroxo and Mn–oxo adducts enhances our understanding of biological and synthetic manganese centers and informs the design of new catalysts. In this Feature article, we describe kinetic, spectroscopic, and computational studies of MnIII–hydroxo and MnIV–oxo complexes that provide insight into the basis for the CPET reactivity of these species. Systematic perturbations of the ligand environment around MnIII–hydroxo and MnIV–oxo motifs permit elucidation of structure–activity relationships. For MnIII–hydroxo centers, electron-deficient ligands enhance oxidative reactivity. However, ligand perturbations have competing consequences, as changes in the MnIII/II potential, which represents the electron-transfer component for CPET, is offset by compensating changes in the pKa of the MnII–aqua product, which represents the proton-transfer component for CPET. For MnIV–oxo systems, a multi-state reactivity model inspired the development of significantly more reactive complexes. Weakened equatorial donation to the MnIV–oxo unit results in large rate enhancements for C–H bond oxidation and oxygen-atom transfer reactions. These results demonstrate that the local coordination environment can be rationally changed to enhance reactivity of MnIII–hydroxo and MnIV–oxo adducts.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

Maximum strength and dislocation patterning in multi–principal element alloys

Multi–principal element alloys (MPEAs) containing three or more components in high concentrations render a tunable chemical short-range order (SRO). Leveraging large-scale atomistic simulations, we probe the limit of Hall-Petch strengthening and deformation mechanisms in a model CrCoNi alloy and unravel chemical ordering effects. The presence of SRO appreciably increases the maximum strength and lowers the propensity for faulting and structure transformation, accompanied by intensification of planar slip and strain localization. Deformation grains exhibit notably different microstructures and dislocation patterns that prominently depend on their crystallographic orientation and the number of active slip planes. Grain of single-planar slip attains the highest volume fraction of deformation-induced structure transformation, and grain with double-slip planes develops the densest dislocation network. These results advancing the fundamental understanding of deformation mechanisms and dislocation patterning in MPEAs suggest a mechanistic strategy for tuning mechanical behavior through simultaneously tailoring grain texture and local chemical order.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Measuring Local Turbulence Along the Optical Path: Multi-Beam Optical Seeing Sensor

Deflection of light along the optical path is a major source of image degradation for ground-based telescopes. Methods have been developed to measure upper atmospheric seeing based on models of the turbulence in the atmosphere, but due to boundary conditions, transmission within telescope enclosures is more complex. The Multi-beam Optical Seeing Sensor (MOSS) directly measures the component of the image quality degradation from inhomogeneity of the index of refraction within the telescope dome. MOSS outputs four near-parallel beams of light that travel along the optical path and are imaged by the telescope’s detector, landing like starlight on the telescope’s focal plane. By using a strobed light source, we can ‘freeze’ the instantaneous index variations transverse to the optical path. This system captures both ‘dome’ and ‘mirror’ seeing. Through plotting the standard deviation of differential motion between pairs of beams, MOSS enables characterization of the length scale of turbulence within the dome. The temporal coherence of temperature gradients can be probed with different pulse lengths, and the spatial coherence by comparing pairs at different separations across the aperture of the telescope. Optical path turbulence measurements, alongside other telemetry metrics, will guide thermal and airflow management to optimize image quality. A MOSS prototype was installed in the 1.2[Formula: see text]m Auxiliary Telescope (AuxTel) at the Vera C. Rubin Observatory in Chile, and preliminary data constrain the optical path turbulence with a lower bound of 1.4 arcsec. The optical path turbulence varied throughout the night of observing.

Astronomical seeing↗
DOE OSTI2023

Frequency Recovery in Power Grids Using High-Performance Computing

Maintaining electric power system stability is paramount, especially in extreme contingencies involving unexpected outages of multiple generators or transmission lines that are typical during severe weather events. Such outages often lead to large supply-demand mismatches followed by subsequent system frequency deviations from their nominal value. The extent of frequency deviations is an important metric of system resilience, and its timely mitigation is a central goal of power system operation and control. This paper develops a novel nonlinear model predictive control (NMPC) method to minimize frequency deviations when the grid is affected by an unforeseen loss of multiple components. Our method is based on a novel multi-period alternating current optimal power flow (ACOPF) formulation that accurately models both nonlinear electric power flow physics and the primary and secondary frequency response of generator control mechanisms. We develop a distributed parallel Julia package for solving the large-scale nonlinear optimization problems that result from our NMPC method and thereby address realistic test instances on existing high-performance computing architectures. Our method demonstrates superior performance in terms of frequency recovery over existing industry practices, where generator levels are set based on the solution of single-period classical ACOPF models.

nonlinear model predictive control↗
DOE OSTI2017

Intelligent Facades for High Performance Green Buildings. Final Technical Report

Intelligent Facades for High Performance Green Buildings: Previous research and development of intelligent facades systems has been limited in their contribution towards national goals for achieving on-site net zero buildings, because this R&D has failed to couple the many qualitative requirements of building envelopes such as the provision of daylighting, access to exterior views, satisfying aesthetic and cultural characteristics, with the quantitative metrics of energy harvesting, storage and redistribution. To achieve energy self-sufficiency from on-site solar resources, building envelopes can and must address this gamut of concerns simultaneously. With this project, we have undertaken a high-performance building- integrated combined-heat and power concentrating photovoltaic system with high temperature thermal capture, storage and transport towards multiple applications (BICPV/T). The critical contribution we are offering with the Integrated Concentrating Solar Façade (ICSF) is conceived to improve daylighting quality for improved health of occupants and mitigate solar heat gain while maximally capturing and transferring on- site solar energy. The ICSF accomplishes this multi-functionality by intercepting only the direct-normal component of solar energy (which is responsible for elevated cooling loads) thereby transforming a previously problematic source of energy into a high- quality resource that can be applied to building demands such as heating, cooling, dehumidification, domestic hot water, and possible further augmentation of electrical generation through organic Rankine cycles. With the ICSF technology, our team is addressing the global challenge in transitioning commercial and residential building stock towards on-site clean energy self-sufficiency, by fully integrating innovative environmental control systems strategies within an intelligent and responsively dynamic building envelope. The advantage of being able to use the entire solar spectrum for active and passive benefits, along with the potential savings of avoiding transmission losses through direct current (DC) transfer to all buildings systems directly from the site of solar conversion, gives the system a compounded economic viability within the commercial and institutional building markets.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2017

Intelligent Facades for High Performance Green Buildings

Progress Towards Net-Zero and Net-Positive-Energy Commercial Buildings and Urban Districts Through Intelligent Building Envelope Strategies Previous research and development of intelligent facades systems has been limited in their contribution towards national goals for achieving on-site net zero buildings, because this R&D has failed to couple the many qualitative requirements of building envelopes such as the provision of daylighting, access to exterior views, satisfying aesthetic and cultural characteristics, with the quantitative metrics of energy harvesting, storage and redistribution. To achieve energy self-sufficiency from on-site solar resources, building envelopes can and must address this gamut of concerns simultaneously. With this project, we have undertaken a high-performance building integrated combined-heat and power concentrating photovoltaic system with high temperature thermal capture, storage and transport towards multiple applications (BICPV/T). The critical contribution we are offering with the Integrated Concentrating Solar Façade (ICSF) is conceived to improve daylighting quality for improved health of occupants and mitigate solar heat gain while maximally capturing and transferring onsite solar energy. The ICSF accomplishes this multi-functionality by intercepting only the direct-normal component of solar energy (which is responsible for elevated cooling loads) thereby transforming a previously problematic source of energy into a high quality resource that can be applied to building demands such as heating, cooling, dehumidification, domestic hot water, and possible further augmentation of electrical generation through organic Rankine cycles. With the ICSF technology, our team is addressing the global challenge in transitioning commercial and residential building stock towards on-site clean energy self-sufficiency, by fully integrating innovative environmental control systems strategies within an intelligent and responsively dynamic building envelope. The advantage of being able to use the entire solar spectrum for active and passive benefits, along with the potential savings of avoiding transmission losses through direct current (DC) transfer to all buildings systems directly from the site of solar conversion, gives the system a compounded economic viability within the commercial and institutional building markets. With a team that spans multiple stakeholders across disparate industries, from CPV to A&E partners that are responsible for the design and development of District and Regional Scale Urban Development, this project demonstrates that integrating utility-scale high efficiency CPV installations with urban and suburban environments is both viable and desirable within the marketplace. The historical schism between utility scale CPV and BIPV has been one of differing scale and cultures. There is no technical reason why utility-scale CPV cannot be located within urban embedded district scale sites of energy harvesting. New models for leasing large areas of district scale roofs and facades are emerging, such that the model for utility scale energy harvesting can be reconciled to commercial and public scale building sites and campuses. This consortium is designed to unite utility scale solar harvesting into building applications for smart grid development.

14 SOLAR ENERGY↗
DOE OSTI2017

ATDM Rover Milestone Report STDA02-1 (FY2017 Q4)

We have successfully completed the MS-4/Y1 Milestone STDA02-1 for the Rover Project. This document describes the milestone and provides an overview of the technical details and artifacts of the milestone. This milestone is focused on building a GPU accelerated ray tracing package capable of doing multi-group radiography, both back-lit and with self-emission as well as serving as a volume rendering plot in VisIt and other VTK-based visualization tools. The long term goal is a package with in-situ capability, but for this first version integration into VisIt is the primary goal. Milestone Execution Plan: Create API for GPU Raytracer that supports multi-group transport (up to hundreds of groups); Implement components into one or more of: VTK-m, VisIt, and a new library/package implementation to be hosted on LLNL Bitbucket (initially), before releasing to the wider community.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2020

Compact Diffusion Bonded Heat Exchanger Fatigue Life Simulations (Final Report)

Compact diffusion bonded heat exchangers are essential for high pressure heat exchange, but they are subject to thermal fatigue and ramp rate limitations. Simulation of these geometries is challenging with a large range of length and time scales from thousands of mm-sized microchannels inside a m-sized heat exchanger. Multi-physics simulations including thermal, fluid, and solid mechanics components are being used to predict stress within the heat exchangers under these conditions. These predictions can then be used to understand thermal ramp rate limitations while keeping maximum stresses low as well as fatigue life predictions from well-known empirical models.

42 ENGINEERING↗
DOE OSTI2023

Measuring Multicomponent Adsorption of Tracer Gases on Natural Zeolites

A natural clinoptilolite sample near the Nevada National Security Site was obtained to study adsorption and retardation on gas transport. Of interest is understanding the competition for adsorption sites that may reduce tracer gas adsorption relative to single-component measurements, which may be affected by the multi-scale pore structure of clinoptilolite. Clinoptilolite has three distinct domains of pore size distributions ranging from nanometers to micrometers: micropores with 0.4–0.7 nm diameters, measured on powders by CO2 adsorption at 273 K, representing the zeolite cages; mesopores with 4–200 nm diameters, observed using liquid nitrogen adsorption at 77 K; and macropores with 300–1000 nm diameters, measured by mercury injection on rock chips (~ 100 mesh), likely representing the microfractures. These pore size distributions are consistent with X-ray computed tomography (CT) and focused ion beam scanning electron microscope (FIB-SEM) images, which are used to construct the three-dimensional (3D) pore network to be used in future gas transport modeling. To quantify tracer gas adsorption in this multi-scale pore structure and multicomponent gas species environment, natural zeolite samples initially in equilibrium in air were exposed to a mixture of tracer gases. As the tracer gases diffuse and adsorb in the sample, the remaining tracer gases outside the sample fractionate. Using a quadrupole mass spectrometer to quantify this fractionation, the degree of adsorption of tracer gases in the multicomponent gas environment and multi-scale pore structure is assessed. The major finding is that Kr reaches equilibrium much faster than Xe in the presence of ambient air, which leads to more Kr uptake than Xe over limited exposure periods. When the clinoptilolite chips were exposed to humid air, the adsorption capability decreases significantly for both Xe and Kr with relative humidity (RH) as low as 3%. Both Xe and Kr reaches equilibrium faster at higher RH. The different, unexpected, adsorption behavior for Xe and Kr is due to their kinetic diameters similar to the micropores in clinoptilolite which makes it harder for Xe to access compared to Kr.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2018

MARS15-Based System for Beam Loss and Collimation Studies

The system includes the newest version of the MARS15 code for particle production and transport in accelerator components integrated with a novel highprecision tracker/stepper for multi-turn tracking merged with MAD-X. The overall approach is described with all the essential features and programming issues highlighted. The application is illustrated for the Fermilab Recycler Ring and Integrable Optics Test Accelerator (IOTA) facilities as well as for the Higgs Factory muon collider and International $e^+e^−$ Linear Collider (ILC) projects.

43 PARTICLE ACCELERATORS↗
DOE OSTI2025

Exponential Backoff and Its Security Implications for Safety-Critical OT Protocols over TCP/IP Networks

The convergence of Operational Technology (OT) and Information Technology (IT) networks has become increasingly prevalent with the growth of Industrial Internet of Things (IIoT) applications. This shift, while enabling enhanced automation, remote monitoring, and data sharing, also introduces new challenges related to communication latency and cybersecurity. Oftentimes, legacy OT protocols were adapted to the TCP/IP stack without an extensive review of the ramifications to their robustness, performance, or safety objectives. To further accommodate the IT/OT convergence, protocol gateways were introduced to facilitate the migration from serial protocols to TCP/IP protocol stacks within modern IT/OT infrastructure. However, they often introduce additional vulnerabilities by exposing traditionally isolated protocols to external threats. This study investigates the security and reliability implications of migrating serial protocols to TCP/IP stacks and the impact of protocol gateways, utilizing two widely used OT protocols: Modbus TCP and DNP3. Our protocol analysis finds a significant safety-critical vulnerability resulting from this migration, and our subsequent tests clearly demonstrate its presence and impact. A multi-tiered testbed, consisting of both physical and emulated components, is used to evaluate protocol performance and the effects of device-specific implementation flaws. Through this analysis of specifications and behaviors during communication interruptions, we identify critical differences in fault handling and the impact on time-sensitive data delivery. The findings highlight how reliance on lower-level IT protocols can undermine OT system resilience, and they inform the development of mitigation strategies to enhance the robustness of industrial communication networks.

DNP3↗
NASA NTRS1991

Rotorcraft application of advanced computational aerodynamics

The objective was to develop the capability to compute the unsteady viscous flow around rotor-body combinations. In the interest of tractability, the problem was divided into subprograms for: (1) computing the flow around a rotor blade in isolation; (2) computing the flow around a fuselage in isolation, and (3) integrating the pieces. Considerable progress has already been made by others toward computing the rotor in isolation (Srinivasen) and this work focused on the remaining tasks. These tasks required formulating a multi-block strategy for combining rotating blades and nonrotating components (i.e., a fuselage). Then an appropriate configuration was chosen for which suitable rotor body interference test data exists. Next, surface and volume grids were generated and state-of-the-art CFD codes were modified and applied to the problem.

Stanaway, Sharon↗
NASA NTRS1998

Toward a More Robust Pruning Procedure for MLP Networks

Choosing a proper neural network architecture is a problem of great practical importance. Smaller models mean not only simpler designs but also lower variance for parameter estimation and network prediction. The widespread utilization of neural networks in modeling highlights an issue in human factors. The procedure of building neural models should find an appropriate level of model complexity in a more or less automatic fashion to make it less prone to human subjectivity. In this paper we present a Singular Value Decomposition based node elimination technique and enhanced implementation of the Optimal Brain Surgeon algorithm. Combining both methods creates a powerful pruning engine that can be used for tuning feedforward connectionist models. The performance of the proposed method is demonstrated by adjusting the structure of a multi-input multi-output model used to calibrate a six-component wind tunnel strain gage.

Stepniewski, Slawomir W.↗
NASA NTRS2014

NuSTAR Results and Future Plans for Magnetar and Rotation-Powered Pulsar Observations

The Nuclear Spectroscopic Telescope Array (NuSTAR) is the first focusing hard X-ray mission in orbit and operates in the 3-79 keV range. NuSTAR's sensitivity is roughly two orders of magnitude better than previous missions in this energy band thanks to its superb angular resolution. Since its launch in 2012 June, NuSTAR has performed excellently and observed many interesting sources including four magnetars, two rotation-powered pulsars and the cataclysmic variable AE Aquarii. NuSTAR also discovered 3.76-s pulsations from the transient source SGR J1745-29 recently found by Swift very close to the Galactic center, clearly identifying the source as a transient magnetar. For magnetar 1E 1841-045, we show that the spectrum is well fit by an absorbed blackbody plus broken power-law model with a hard power-law photon index of approximately 1.3. This is consistent with previous results by INTEGRAL and RXTE. We also find an interesting double-peaked pulse profile in the 25-35 keV band. For AE Aquarii, we show that the spectrum can be described by a multi-temperature thermal model or a thermal plus non-thermal model; a multi-temperature thermal model without a non-thermal component cannot be ruled out. Furthermore, we do not see a spiky pulse profile in the hard X-ray band, as previously reported based on Suzaku observations. For other magnetars and rotation-powered pulsars observed with NuSTAR, data analysis results will be soon available.

rotation-powered pulsars↗
NASA NTRS2014

NuSTAR Results and Future Plans for Magnetar and Rotation-Powered Pulsar Observations

The Nuclear Spectroscopic Telescope Array (NuSTAR) is the first focusing hard X-ray mission in orbit and operates in the 3-79 keV range. NuSTAR's sensitivity is roughly two orders of magnitude better than previous missions in this energy band thanks to its superb angular resolution. Since its launch in 2012 June, NuSTAR has performed excellently and observed many interesting sources including four magnetars, two rotation-powered pulsars and the cataclysmic variable AE Aquarii. NuSTAR also discovered 3.76-s pulsations from the transient source SGR J1745−29 recently found by Swift very close to the Galactic Center, clearly identifying the source as a transient magnetar. For magnetar 1E 1841−045, we show that the spectrum is well fit by an absorbed blackbody plus broken power-law model with a hard power-law photon index of approximately 1.3. This is consistent with previous results by INTEGRAL and RXTE. We also find an interesting double-peaked pulse profile in the 25-35 keV band. For AE Aquarii, we show that the spectrum can be described by a multi-temperature thermal model or a thermal plus non-thermal model; a multi-temperature thermal model without a non-thermal component cannot be ruled out. Furthermore, we do not see a spiky pulse profile in the hard X-ray band, as previously reported based on Suzaku observations. For other magnetars and rotation-powered pulsars observed with NuSTAR, data analysis results will be soon available.

stars: neutron aEuro" telescope aEuro" X-ray: star↗
NASA NTRSDate not supplied

Using remotely sensed information to support landslide hazard and exposure assessment throughout the disaster lifecycle

The global coverage and temporal frequency that satellites provide offers a unique opportunity to estimate landslide hazard and exposure throughout the disaster lifecycle, from pre-event planning and forecasting to post-event mapping and impact assessment, and finally to recovery and mitigation. The relevance of satellite-derived data and model products is largely contingent on the spatiotemporal sampling, the hazard characteristics, and the needs from the research or applications community. This work presents an advanced Landslide Hazard Assessment for Situational Awareness (LHASA) framework that brings together satellite and model products with new machine learning techniques and global inventory data to better model landslide hazard and exposure. We present several new ways to map, model, and assess landslide hazard using a range of satellite data. Two new thrusts of this work are to better account for the exacerbating impacts of fires and to provide a multi-day forecast of potential hazard. Together, these additional components blend information from a suite of satellite and model sources to improve early warning of potentially hazardous areas, identify landslide occurrence and impacts in near real-time, and better characterize the spatiotemporal patterns of landslide hazard and exposure more broadly for future awareness and planning. This suite of tools and products is open to the public and provides information to better assess the potential occurrence and impacts of landslides within different regions of the world. This presentation explores both the architecture behind this framework and examples of how the model components and products have been used by different stakeholders around the world.

Thomas Stanley↗
NASA NTRSDate not supplied

Using Polarized PCRTM-Solar Model to Validate EMIT Surface Reflectance L2A Product

Using the vector linearized discrete ordinate radiative transfer model (VLIDORT), a multiple-scattering multi-layer scattering code, coupled with a fast principal component (PC) radiative transfer model (PCRTM), we can simulate hyperspectral radiation fields from visible to shortwave infrared (VSWIR), i.e., 250 nm to 2500 nm. Since only limited accurate line-by-line calculation using VLIDORT is needed, this coupled PCRTM-VLIDORT approach is very efficient for simulating hyperspectral VSWIR spectra. These simulations incorporate accurately defined optical properties (gas absorptions, molecular and aerosol/cloud particle scattering) and detailed surface reflectance inputs. In this study we used the current L2A products of the Earth Surface Mineral Dust Source Investigation (EMIT) imaging spectrometer as the inputs to PCRTM-VLIDORT to simulate EMIT spectra. Comparing the simulated spectra with EMIT measurements provides an efficient method to validate the current EMIT product.

Xiaozhen Xiong↗