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DOE OSTI2018

Microscale-Resolution Thermal Mapping Using a Flexible Platform of Patterned Quantum Sensors

Here, temperature sensors with micro- and nanoscale spatial resolution have long been explored for their potential to investigate the details of physical systems at an unprecedented scale. In particular, the rapid miniaturization of transistor technology, with its associated steep boost in power density, calls for sensors that accurately monitor heating distributions. Here, we report on a simple and scalable fabrication approach, based on directed self-assembly and transfer-printing techniques, to constructing arrays of nanodiamonds containing temperature-sensitive fluorescent spin defects. The nano-particles are embedded within a low-thermal-conductivity matrix that allows for repeated use on a wide range of systems with minimal spurious effects. Additionally, we demonstrate access to a wide spectrum of array parameters ranging from sparser single-particle arrays, with the potential for quantum computing applications, to denser devices with 98 ± 0.8% yield and stronger photoluminescence signals, ideal for temperature measurements. With these, we experimentally reconstruct the temperature map of an operating coplanar waveguide to confirm the accuracy of these platforms.

47 OTHER INSTRUMENTATION↗

DOE OSTI2013

OH radicals distribution in an Ar-H{sub 2}O atmospheric plasma jet

Recently, plasma jet systems found numerous applications in the field of biomedicine and treatment of temperature-sensitive materials. OH radicals are one of the main active species produced by these plasmas. Present study deals with the investigation of RF atmospheric pressure plasma jet in terms of OH radicals production by admixture of H{sub 2}O into argon used as a feed gas. Generation of OH radicals is studied by laser-induced fluorescence spectroscopy. The excitation dynamics of OH radicals induced by the laser photons is studied by time-resolved spectroscopy. It is shown that vibrational and rotational energy transfer processes, which are sensitive to the surrounding species, can lead to the complication in the OH radicals diagnostics at high pressure and have to be considered during experiments. The axial and radial 2D maps of absolute densities of hydroxyl radicals at different water contents are obtained. The highest density of 1.15 × 10{sup 20} m{sup −3} is measured in the plasma core for the case of 0.3% H{sub 2}O. In the x–y-plane, the OH density steeply decreases within a range of ±2 mm from its maximum value down to 10{sup 18} m{sup −3}. The effect of H{sub 2}O addition on the generation of OH radicals is investigated and discussed.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2023

Automated characterization of spatial and dynamical heterogeneity in supercooled liquids via implementation of machine learning

Abstract A computational approach by an implementation of the principle component analysis (PCA) with K -means and Gaussian mixture (GM) clustering methods from machine learning algorithms to identify structural and dynamical heterogeneities of supercooled liquids is developed. In this method, a collection of the average weighted coordination numbers ( W C N s ‾ ) of particles calculated from particles’ positions are used as an order parameter to build a low-dimensional representation of feature (structural) space for K -means clustering to sort the particles in the system into few meso-states using PCA. Nano-domains or aggregated clusters are also formed in configurational (real) space from a direct mapping using associated meso-states’ particle identities with some misclassified interfacial particles. These classification uncertainties can be improved by a co-learning strategy which utilizes the probabilistic GM clustering and the information transfer between the structural space and configurational space iteratively until convergence. A final classification of meso-states in structural space and domains in configurational space are stable over long times and measured to have dynamical heterogeneities. Armed with such a classification protocol, various studies over the thermodynamic and dynamical properties of these domains indicate that the observed heterogeneity is the result of liquid–liquid phase separation after quenching to a supercooled state.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

DOE OSTI2025

Exact solution of the frustrated Potts model with next-nearest-neighbor interactions in one dimension via AI bootstrapping

The one-dimensional (1D) 𝐽 1 −𝐽 2 𝑞-state Potts model is solved exactly for arbitrary 𝑞 by analytically block-diagonalizing the original 𝑞 2 ×𝑞 2 transfer matrix into a simple 2 × 2 maximally symmetric subspace, based on using OpenAI's reasoning model o3-mini-high to exactly solve the 𝑞 = 3 case. Furthermore, by matching relevant subspaces, we map the Potts model onto a simpler effective 1D 𝑞-state Potts model, where 𝐽 2 acts as the nearest-neighbor interaction and 𝐽 1 as an effective magnetic field, nontrivially generalizing a 56-year-old theorem previously limited to the simplest case (𝑞 = 2, the Ising model). Our exact results provide insights to phenomena such as atomic or electronic order stacking in layered materials and the emergence of dome-shaped phases in complex phase diagrams. In conclusion, this work is anticipated to fuel both research in 1D frustrated magnets for recently discovered finite-temperature application potentials and the fast moving topic area of AI in science.

1-dimensional spin chains↗

DOE OSTI2024

Low-Flow Marine Hydrokinetic Turbine for Small Autonomous Unmanned Mobile Recharge Stations

A prototype low-flow marine current turbine for deployment from a small unmanned mobile floating platform has been developed for autonomously seeking and harnessing tidal/coastal currents. The support platform is an unmanned surface vehicle (USV), in the form of a catamaran with two electric outboard motors and with capabilities for autonomous navigation. The USV utilized is a WAM-V 16 vehicle that has been developed separately with support from the Office of Naval Research (ONR) [1]. The marine current turbine is based on a freestream waterwheel (FSWW), also known as an undershot waterwheel (FSWW), mounted on the stern of the USV. The concept of operation involves the USV autonomously navigating to a designated marine current resource. Upon arrival, the USV anchors itself, aligns with the current, and deploys the FSWW turbine using a custom cable-lift mechanism. The turbine harnesses the local current, and an onboard power-take-off (PTO) device converts the mechanical energy into electricity, which is stored in an onboard battery bank. When energy harvesting is completed, the turbine and the anchor are retrieved and the USV navigates to a selected location. These unmanned at-sea platforms can provide power to other unmanned maritime systems. Specifically, in this project, the power generated onboard can be used to charge aerial drones via a custom flight deck that has been developed for the USV. The recharging capabilities offered by a fleet of such strategically placed recharging stations can significantly benefit aerial drones operating in the maritime domain by eliminating the need to travel back and forth to land or ship based charging stations. The project has resulted in the development of subcomponents, including the FSWW turbine, a novel PTO, an automated anchoring system for the USV, an automated turbine deployment system, and a flight deck with capabilities onboard the USV for landing, direct-contact charging and takeoff of aerial drones. The design and development of these subsystems have culminated in the overall prototype marine hydrokinetic platform (MHK Platform, Fig. 1). Comprehensive lab and field testing have been conducted to validate the functionality and performance of the platform and its components. The project demonstrates the potential for autonomous, unmanned systems to harness renewable energy from marine currents, and provide sustainable power solutions for maritime applications such as coastal surveillance and environmental monitoring; shoreline mapping; search and rescue; oceanographic research; inspection and maintenance of offshore energy installations like wind turbines and oil rigs; oil spill response; maritime disaster response; and aerial surveys, as well as facilitation of data transfer drones and shore stations.

16 TIDAL AND WAVE POWER↗

DOE OSTI2026

Solar Thermal Energy Planner (STEP 1): A New Decision Support Tool for Solar Industrial Process Heat Applications

Solar thermal technologies are a promising technology to supply low-cost thermal energy to industrial processes, but there are often significant barriers to entry to industrial owners considering these technologies for their energy demands. To overcome this barrier and convey economic value to customers, NREL and Sandia National Laboratories developed Solar Thermal Energy Planner (STEP 1), a new web-based decision support tool for solar industrial process heat systems. At SolarPACES 2024, the STEP 1 tool was still under development; progress, methodologies, and a preliminary case study was presented. With the STEP 1 tool launch in May 2025, in this work, the initial version of the full public tool will be presented with demonstrations of its capabilities using a few case studies. First, the user's process heat needs such as location, process media (e.g., steam, air), process temperature, land availability, electricity and fuel costs, among other parameters. STEP 1 features a mapping interface that allows users to draw land and roof boundaries. The process media and temperature inform technology selection criteria modules that determine the appropriate solar thermal collection technologies, as well as congruent heat transfer media (e.g., hot water, oil, salt). Once the solar thermal technology selected, its nominal thermal production for the given site is characterized using NREL's System Advisor Model (SAM). Then, a modified version of NREL's REopt optimal sizing and dispatch optimization tool determines cost-optimal sizing. Within minutes, the user receives the results of the technoeconomics analysis, including the size and performance of the cost-optimal solar-plus-storage system. The cost of the system is compared to business-as-usual (e.g., an existing, standalone natural gas boiler). Users can download key results to store for sensitivity analyses. Examples of flat plate collector, parabolic trough, and molten salt tower applications with and without PV hybridization for different industrial facility types are presented in this work. The STEP 1 tool aims to reduce barriers to the adoption of solar heating solutions stemming from a lack of familiarity and technical background with solar system design options and costs among industry stakeholders.

14 SOLAR ENERGY↗

NASA NTRS2020

ICESat 2/ATLAS Onboard Flight Science Receiver Algorithms: Purpose, Process, and Performance

The Advanced Topographic Laser Altimetry System (ATLAS) is the sole instrument on the Ice, Cloud, and land Elevation Satellite 2 (ICESat-2). Without some method of reducing the transmitted data, the volume of ATLAS telemetry would far exceed the normal X-band downlink capability or require many more ground station contacts. The ATLAS Onboard Flight Science Receiver Algorithms (hereinafter Receiver Algorithms or Algorithms) control the amount of science data that is telemetered from the instrument, limiting the data volume by distinguishing surface echoes from background noise, and allowing the instrument to telemeter data from only a small vertical region about the signal. This is accomplished through the transfer of the spacecraft's location and attitude to the instrument every second, use of an onboard Digital Elevation Model, implementation of signal processing techniques, and use of onboard relief and surface type reference maps. Extensive ground testing verified the performance of the Algorithms. On-orbit analysis shows that the Algorithms are working as expected from the ground testing; they are performing well and meeting the mission requirements.

Algoritms, Signal Processing, Optimization, Flight↗

NASA NTRS2006

CCSDS Time-Critical Onboard Networking Service

The Consultative Committee for Space Data Systems (CCSDS) is developing recommendations for communication services onboard spacecraft. Today many different communication buses are used on spacecraft requiring software with the same basic functionality to be rewritten for each type of bus. This impacts on the application software resulting in custom software for almost every new mission. The Spacecraft Onboard Interface Services (SOIS) working group aims to provide a consistent interface to various onboard buses and sub-networks, enabling a common interface to the application software. The eventual goal is reusable software that can be easily ported to new missions and run on a range of onboard buses without substantial modification. The system engineer will then be able to select a bus based on its performance, power, etc and be confident that a particular choice of bus will not place excessive demands on software development. This paper describes the SOIS Intra-Networking Service which is designed to enable data transfer and multiplexing of a variety of internetworking protocols with a range of quality of service support, over underlying heterogeneous data links. The Intra-network service interface provides users with a common Quality of Service interface when transporting data across a variety of underlying data links. Supported Quality of Service (QoS) elements include: Priority, Resource Reservation and Retry/Redundancy. These three QoS elements combine and map into four TCONS services for onboard data communications: Best Effort, Assured, Reserved, and Guaranteed. Data to be transported is passed to the Intra-network service with a requested QoS. The requested QoS includes the type of service, priority and where appropriate, a channel identifier. The data is de-multiplexed, prioritized, and the required resources for transport are allocated. The data is then passed to the appropriate data link for transfer across the bus. The SOIS supported data links may inherently provide the quality of service support requested by the intra-network layer. In the case where the data link does not have the required level of support, the missing functionality is added by SOIS. As a result of this architecture, re-usable software applications can be designed and used across missions thereby promoting common mission operations. In addition, the protocol multiplexing function enables the blending of multiple onboard networks. This paper starts by giving an overview of the SOIS architecture in section 11, illustrating where the TCONS services fit into the overall architecture. It then describes the quality of service approach adopted, in section III. The prototyping efforts that have been going on are introduced in section JY. Finally, in section V the current status of the CCSDS recommendations is summarized.

Parkes, Steve↗

DOE OSTI2014

Time-domain analysis of spin-torque induced switching paths in nanoscale CoFeB/MgO/CoFeB magnetic tunnel junction devices

We performed thousands of single-shot, real-time measurements of spin-transfer-torque induced switching in nanoscale CoFeB/MgO/CoFeB magnetic tunnel junctions having in-plane magnetizations. Our investigation discovered a variety of switching paths occurring in consecutive, nominally identical switching trials of a single device. By mapping the voltage as a function of time to an effective magnetization angle, we determined that reversal of a single device occurs via a variety of thermally activated paths. Our results show a complex switching behavior that has not been captured by previous observations and cannot be fully explained within the simple macrospin model.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2016

Photodynamics of oxybenzone sunscreen: Nonadiabatic dynamics simulations

Herein we have used combined static electronic structure calculations and “on-the-fly” global-switching trajectory surface-hopping dynamics simulations to explore the photochemical mechanism of oxybenzone sunscreen. We have first employed the multi-configurational CASSCF method to optimize minima, conical intersections, and minimum-energy reaction paths related to excited-state intramolecular proton transfer (ESIPT) and excited-state decays in the {sup 1}ππ{sup ∗}, {sup 1}nπ{sup ∗}, and S{sub 0} states (energies are refined at the higher MS-CASPT2 level). According to the mapped potential energy profiles, we have identified two ultrafast excited-state deactivation pathways for the initially populated {sup 1}ππ{sup ∗} system. The first is the diabatic ESIPT process along the {sup 1}ππ{sup ∗} potential energy profile. The generated {sup 1}ππ{sup ∗} keto species then decays to the S{sub 0} state via the keto {sup 1}ππ{sup ∗}/gs conical intersection. The second is internal conversion to the dark {sup 1}nπ{sup ∗} state near the {sup 1}ππ{sup ∗} /{sup 1}nπ{sup ∗} crossing point in the course of the diabatic {sup 1}ππ{sup ∗} ESIPT process. Our following dynamics simulations have shown that the ESIPT and {sup 1}ππ{sup ∗} → S{sub 0} internal conversion times are 104 and 286 fs, respectively. Finally, our present work demonstrates that in addition to the ESIPT process and the {sup 1}ππ{sup ∗} → S{sub 0} internal conversion in the keto region, the {sup 1}ππ{sup ∗} → {sup 1}nπ{sup ∗} internal conversion in the enol region plays as well an important role for the excited-state relaxation dynamics of oxybenzone.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2025

Buffer-layer effect on the ferromagnetism of manganite heterojunctions

Identifying and understanding interfacial magnetic structures of transition-metal oxides are of great importance not only for fundamental physics but also for potential device applications. Among them, manganite and ruthenate heterostructures have attracted considerable interest due to their intriguing interfacial properties induced by complex magnetic interactions. Here, we report the observation of dramatic buffer-layer dependence of ferromagnetism in ultrathin (L⁢a 2/3 ⁢C⁢a 1/3 )⁢Mn⁢O 3 (LCMO)-based heterostructures. Though all trilayers are nonmetallic, the SrRu⁢O 3 -buffered LCMO trilayer exhibits enhanced ferromagnetism with the Curie temperature (𝑇 C ∼ 198K) much higher than for CaRu⁢O 3 (𝑇 C ∼ 99K)- and SrTi⁢O 3 (𝑇 C ∼ 42K)-buffered counterparts, as well as the monolithic LCMO films with similar thickness. Combining atomically resolved scanning transmission electron microscopy imaging with electron energy loss spectroscopy mapping, we reveal that asymmetric interfaces exist in the SrRu⁢O 3 buffered trilayer, with one exhibiting 1 unit-cell Sr diffusion into LCMO, which is responsible for the 𝑇 C enhancement. In contrast, charge transfer, which has been proposed previously as a possible mechanism, is excluded in this study. In conclusion, our results may pave a promising road toward effective atomic control of interfacial magnetism.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

NASA NTRS1984

Satellite measurement of aerosol mass over land

The estimation of aerosol optical thickness and mass from satellite observations over land is demonstrated using data from the GOES Visible/IR Spin-Scan Radiometer for the eastern U.S. The post-launch calibration technique is described; the algorithm used to derive optical thickness from the radiance of scattered sunlight (by means of a radiative-transfer model in which the optical characteristics of the aerosol are assumed) is presented; and data on aerosol S for July 31, 1980 are analyzed. The results are presented in a series of graphs and maps and compared with ground-based data. The errors in the optical thickness and columnar mass are estimated as 15 and 40 percent, respectively, and the need for independent-data-set validation of satellite-based mass, transport, and divergence values is indicated.

Fraser, R. S.↗

NASA NTRS1988

Chemical nonequilibrium and viscous flow computation for conic aerobrake bodies

Three-dimensional analyses are presented for the viscous, reactive flow over a complete entry-body configuration with a wide-angle conic surface. The predictive method uses a split approach that solves iteratively the Navier-Stokes and the continuity equations of chemical species. The finite-difference formulation and the computational grid are adapted to the bow shock and the conformally mapped body such that the velocity components are in the computational spherical-polar space. Combinations of several conic forebody and afterbody configurations have been studied using wind-tunnel, Space Shuttle, and aerobraking orbital transfer vehicle (AOTV) entry conditions. The effects of the borebody bluntness and of finite-rate chemical reactions on the shock layer, the wall catalycity on the boundary layer, the shear-layer impingement on the afterbody, and the base-flow environment are discussed.

Li, C. P.↗

NASA NTRS1992

Twenty-five years of aerodynamic research with infrared imaging

A review is presented of the commercial introduction of IR imaging systems in the midsixties that has opened the possibilities to visualize viscous interactions between a body and the surrounding airflow by mapping the surface temperature distributions on configurations of interest. The capability of IR imaging systems to produce in real-time thermograms, which can be interpreted both locally and globally, makes them useful for heat transfer and skin-friction aerodynamic studies. Attention is given to IR systems and data processing, supersonic and hypersonic studies, Space Shuttle flight experiments, subsonic and transonic studies, and propulsion studies.

Gartenberg, Ehud↗

NASA NTRS2001

Recent Monitoring of Suspended Sediment Patterns along Louisiana's Coastal Zone using ER-2 based MAS Data and Terra Based MODIS Data

The University nf Wisconsin and Louisiana State University have teamed to study the forcing of winter season cold frontal wind systems on sediment distribution patterns and geomorphology in the Louisiana coastal zone. Wind systems associated with cold fronts have been shown to model coastal circulation and resuspend sediments along the micro tidal Louisiana coast (Roberts et at. 1987, Moeller et al. 1993). Remote sensing data is being used to map and track sediment distribution patterns for various wind conditions. Suspended sediment is a building material for coastal progradation and wetlands renewal, but also restricts access to marine nursery environments and impacts oyster bed health. Transferring a suspended sediment concentration (SSC) algorithm to EOS MODerate resolution Imaging Spectroradiometer (MODIS; Barnes et al. 1998) observations may enable estimates of SSC globally.

Moeller, Christopher C.↗

NASA NTRS2015

Lunar Flashlight

The Lunar Flashlight is a Jet Propulsion Laboratory project, with NASA Marshall Space Flight Center (MSFC) serving as the principal investigator and providing the solar sail propulsion system. The goal of Lunar Flashlight is to determine the presence and abundance of exposed lunar water ice within permanently shadowed regions (PSRs) at the lunar south pole, and to map its concentration at the 1-2 kilometer scale to support future exploration and use. After being ejected in cis-lunar space by the launch vehicle, Lunar Flashlight deploys solar panels and an 85-square-meter solar sail and maneuvers into a low-energy transfer to lunar orbit. The solar sail and attitude control system work to bring the satellite into an elliptical polar orbit, spiraling down over a period of 18 months to a perilune of 30-10 kilometers above the south pole for data collection. Lunar Flashlight uses its solar sail to shine reflected sunlight onto the lunar surface, measuring surface reflectance with a four-filter point spectrometer. The spectrometer measures water ice absorption features (1.5, 1.95 microns) and the continuum between them (1.1, 1.9 microns). The ratios of water ice bands to the continuum will provide a measure of the abundance of surface frost and its variability across PSRs. Water ice abundance will be correlated with other data from previous missions, such as the Lunar Reconnaissance Orbiter and Lunar Crater Observation and Sensing Satellite, to provide future human and robotic explorers with a map of potential resources. The mission is enabled by the use of an 85-square-meter solar sail being developed by MSFC.

Baker, John↗

DOE OSTI2015

ESTIMATING BLACK HOLE MASSES IN HUNDREDS OF QUASARS

We explore the practical feasibility of active galactic nucleus (AGN) broadband reverberation mapping and present first results. We lay out and apply a rigorous approach for the stochastic reverberation mapping of unevenly sampled multi-broadband flux measurements, assuming that the broad-line region (BLR) line flux is contributing up to 15% in some bands, and is directly constrained by one spectroscopical epoch. The approach describes variations of the observed flux as the continuum, modeled as a stochastic Gaussian process, and emission line contribution, modeled as a scaled, smoothed, and delayed version of the continuum. This approach can be used not only to interpolate in time between measurements, but also to determine confidence limits on continuum—line emission delays. This approach is applied to Sloan Digital Sky Survey observations in Stripe 82 (S82), providing flux measurements that are precise to 2% at ∼60 epochs over ∼10 yr. The strong annual variations in the epoch sampling prove a serious limitation in practice. In addition, suitable redshift ranges must be identified where strong, broad emission lines contribute to one filter, but not to another. By generating and evaluating problem-specific mock data, we verify that S82-like data can constrain τ{sub delay} for a simple transfer function model. In application to real data, we estimate τ{sub delay} for 323 AGNs with 0.225 < z < 0.846, combining information for different objects through the ensemble-scaling relationships for BLR size and black hole mass. Our analysis tentatively indicates a 1.7 times larger BLR size of Hα and Mg II compared to Kaspi et al. and Vestergaard, but the seasonal data sampling casts doubt on the robustness of the inference.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2020

A comparative look at structural variation among RC–LH1 ‘Core’ complexes present in anoxygenic phototrophic bacteria

All purple photosynthetic bacteria contain RC–LH1 ‘Core’ complexes. The structure of this complex from Rhodobacter sphaeroides, Rhodopseudomonas palustris and Thermochromatium tepidum has been solved using X-ray crystallography. Recently, the application of single particle cryo-EM has revolutionised structural biology and the structure of the RC–LH1 ‘Core’ complex from Blastochloris viridis has been solved using this technique, as well as the complex from the non-purple Chloroflexi species, Roseiflexus castenholzii. It is apparent that these structures are variations on a theme, although with a greater degree of structural diversity within them than previously thought. Furthermore, it has recently been discovered that the only phototrophic representative from the phylum Gemmatimonadetes, Gemmatimonas phototrophica, also contains a RC–LH1 ‘Core’ complex. At present only a low-resolution EM-projection map exists but this shows that the Gemmatimonas phototrophica complex contains a double LH1 ring. This short review compares these different structures and looks at the functional significance of these variations from two main standpoints: energy transfer and quinone exchange.

59 BASIC BIOLOGICAL SCIENCES↗