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DOE OSTI2022

Merger of the Dissolved Gas Method into RELAP5-3D

The Dissolved Gas Model (DGM) was developed for Bettis Atomic Power Laboratory in their own special version of RELAP5-3D known as NUPAC by a subcontractor to. Incorporation of this important code capability in RELAP5-3D was necessary for collaboration between INL and Bettis on future code development efforts. The changes necessary to implement DGM are fundamental, changing the very solver technology at the core of RELAP5-3D, and pervasive, requiring the addition of new subprograms and data, alteration of existing data structures, and modification of more than one hundred subprograms. Moreover, NUPAC and RELAP5-3D had evolved separately and in different directions for a decade and were significantly dissimilar, so the effort was both complex and time-consuming. To ensure its correctness, a large test set comprised thousands of input cases had been constructed and had to run correctly to prove DGM was implemented correctly. A novel method for transporting and adjusting the updates for DGM into RELAP5-3D was undertaken. Tens of thousands of lines of code were either changed or added resulting in a 100% successful implementation of DGM in RELAP5-3D.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

DOE OSTI2023

BayFlux: A Bayesian method to quantify metabolic Fluxes and their uncertainty at the genome scale

Metabolic fluxes, the number of metabolites traversing each biochemical reaction in a cell per unit time, are crucial for assessing and understanding cell function. 13 C Metabolic Flux Analysis ( 13 C MFA) is considered to be the gold standard for measuring metabolic fluxes. 13 C MFA typically works by leveraging extracellular exchange fluxes as well as data from 13 C labeling experiments to calculate the flux profile which best fit the data for a small, central carbon, metabolic model. However, the nonlinear nature of the 13 C MFA fitting procedure means that several flux profiles fit the experimental data within the experimental error, and traditional optimization methods offer only a partial or skewed picture, especially in “non-gaussian” situations where multiple very distinct flux regions fit the data equally well. Here, we present a method for flux space sampling through Bayesian inference (BayFlux), that identifies the full distribution of fluxes compatible with experimental data for a comprehensive genome-scale model. This Bayesian approach allows us to accurately quantify uncertainty in calculated fluxes. We also find that, surprisingly, the genome-scale model of metabolism produces narrower flux distributions (reduced uncertainty) than the small core metabolic models traditionally used in 13 C MFA. The different results for some reactions when using genome-scale models vs core metabolic models advise caution in assuming strong inferences from 13 C MFA since the results may depend significantly on the completeness of the model used. Based on BayFlux, we developed and evaluated novel methods (P- 13 C MOMA and P- 13 C ROOM) to predict the biological results of a gene knockout, that improve on the traditional MOMA and ROOM methods by quantifying prediction uncertainty.

59 BASIC BIOLOGICAL SCIENCES↗

DOE OSTI2023

Theories and Constraints for Massive Higher Spins (Final Technical Report)

The goal of this project was to develop methods for constraining the scattering amplitudes of interacting theories containing massive higher spin particles, and to apply these methods to search for, constrain, and apply theories containing massive high spins. During the 3 year term of the project, 15 papers containing results from the project were published in peer reviewed journals. Highlights of these results include: proofs of the best possible strong coupling scales for theories with massive spin 2 particles, causality constraints on couplings in such theories, the discovery of new effective field theories with extended shift symmetries on curved space, the discovery of a new symmetry of the decoupling limit of massive gravity, a study of the possible shapes of graviton non-gaussianities during inflation, classification results of supersymmetric partially massless fields, and the development of the geometric bootstrap, a novel method to generate new mathematical results about the spectrum of various Laplacian operators on closed Einstein manifolds.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

DOE OSTI2025

Abiotic influences on continuous conifer forest structure across a subalpine watershed

Understanding the abiotic drivers of high-elevation forest physiognomy is essential for forecasting how mountain ecosystems will respond to emerging environmental pressures. Most prior studies of these relationships have relied on small samples of the full landscape, resulting in limited power to detect dominant covariates and their interactions. Here we report the first evaluation of abiotic influences on a complement of accurate, wall-to-wall estimates of conifer forest structure and composition at the watershed scale. In a subalpine conifer domain in the Colorado Rocky Mountains (USA), we developed a novel method for deriving stand structure metrics from waveform LiDAR data, which showed high fidelity with field inventory. We quantified the relationships between structural and compositional metrics and climate, topographic, edaphic, and geologic factors. Our results showed that peak snow water equivalent (SWE), snow disappearance rate, and elevation explained most of the variation in forest structure. The highest stand density, basal area, maximum canopy height, and quadratic mean diameter occurred in sites with SWE around one standard deviation below mean, but with long snow residence times. Stand density decreased linearly with elevation, while other metrics peaked between 3000 m and 3200 m. Substrate properties had weaker influence. Continuous mapping of through-canopy forest structure enabled our novel findings of the dominant role of snowpack in explaining structural and compositional variation, and of elevation thresholds. Our reproducible approach facilitates assessment of forest-topoclimate relationships in other conifer-dominated landscapes and improves understanding of the baseline patterns controlling forest structure, which is needed for predicting long-term ecological change.

forest ecology↗

DOE OSTI2020

Low Energy Implantation into Transition-Metal Dichalcogenide Monolayers to Form Janus Structures

Atomically-thin two-dimensional (2D) materials face significant energy barriers for synthesis and processing into functional metastable phases such as Janus structures. Here, in this study, the controllable implantation of hyperthermal species from pulsed laser deposition (PLD) plasmas is introduced as a top-down method to compositionally engineer 2D monolayers. The kinetic energies of Se clusters impinging on suspended monolayer WS 2 crystals were controlled in the <10 eV/atom range with in situ plasma diagnostics to determine the thresholds for selective top layer replacement of sulfur by selenium for the formation of high quality WSSe Janus monolayers at low (300 °C) temperatures, and bottom layer replacement for complete conversion to WSe 2 . Atomic-resolution electron microscopy and spectroscopy in tilted geometry confirm the WSSe Janus monolayer. Molecular dynamics simulations reveal that Se clusters implant to form disordered metastable alloy regions, which then recrystallize to form highly ordered structures, opening the door for low-energy implantation by PLD as a novel method to explore the synthesis of 2D Janus layers and alloys of variable composition.

2D materials↗

NASA NTRS1982

A simple test for the interlaminar fracture toughness of composites

A simple test method for the measurement of delamination resistance is assessed through its application to 11-ply graphite-epoxy laminates whose matrices employ the F185 and 205 resins. The F185 resin has the same base epoxy as the 205, to which liquid and solid elastomers have been added. The critical value of the mixed mode energy release rate, calculated from a closed form equation employing nominal strain measurements from the onset of edge delamination, show that addition of the elastomers to the base epoxy increases interlaminar fracture toughness. Comparison of these results with those of width-tapered double cantilever beam (WTDCB) test data for the two materials shows a similar strain energy release rate, establishing the accuracy of the novel method. Both tests are found to be needed, however, for the quantitative characterization of interlaminar fracture toughness.

Obrien, T. K.↗

NASA NTRSDate not supplied

Data Fusion and Mining Techniques to Map Water Use and Drought across Spatial and Temporal Scales

As the world’s water resources come under increasing tension due to dual stressors of climate change and population growth, accurate knowledge of water consumption through evapotranspiration (ET) over a range in spatial scales will be critical in developing adaptation strategies. Remote sensing methods for monitoring consumptive water use (e.g, ET) are becoming increasingly important, especially in areas of significant water and food insecurity. One method to estimate ET from satellite-based methods, the Atmosphere Land Exchange Inverse (ALEXI) model uses the change in mid-morning land surface temperature to estimate the partitioning of sensible and latent heat fluxes which are then used to estimate daily ET. This presentation will outline several recent enhancements to the ALEXI modeling system, with a focus on global ET and drought monitoring. Until recently, ALEXI has been limited to areas with high resolution temporal sampling of geostationary sensors. The use of geostationary sensors makes global mapping a complicated process, especially for real-time applications, as data from as many as five different sensors are required to be ingested and harmonized to create a global mosaic. However, our research team has developed a new and novel method of using twice-daily observations from polar-orbiting sensors such as MODIS and VIIRS to estimate the mid-morning rise in LST that is used to drive the energy balance estimations within ALEXI. This allows the method to be applied globally using a single sensor (in this case, initially MODIS with a planned transition to VIIRS) rather than a global compositing of all available geostationary data. Other advantages of this new method include the higher spatial resolution provided by MODIS and VIIRS and the increased sampling at high latitudes where oblique view angles limit the utility of geostationary sensors. This presentation will focus on global applications for mapping water use and drought using data mining and data fusion across spatial scales extending from 5-km to 30-m “field-scale” estimates.

Christopher Hain↗

DOE OSTI2024

Bipolar Blobs as Evidence of Hidden AGN Activities in the Low-mass Galaxies

Abstract We report evidence of a hidden black hole (BH) in a low-mass galaxy, MaNGA 9885-9102, and provide a new method to identify active BHs in low-mass galaxies. This galaxy is originally selected from the MaNGA survey with distinctive bipolar Hαblobs at the minor axis. The bipolar feature can be associated with active galactic nuclei (AGN) activity, while the two blobs are classified as the Hiiregions on the BPT diagram, making the origins confusing. The Swift UV continuum shows that the two blobs do not have UV counterparts, suggesting that the source of ionization is out of the blobs. Consistent with this, the detailed photoionization models prefer AGN rather than the star-forming origin with a significance of 5.8σ. The estimated BH mass isM BH ∼ 7.2 × 10 5 M ⊙ from theM BH –σ * relationship. This work introduces a novel method for detecting the light echo of BHs, potentially extending to intermediate mass, in low-metallicity environments where the traditional BPT diagram fails.

Astronomy & Astrophysics↗

NASA NTRS1990

Loop current eddy shedding estimated using Geosat altimeter data

A method for extracting periodic signals from altimeter data is applied in the Gulf of Mexico using data from the first two years of the Geosat Exact Repeat Mission. The least squares fitting of selected frequencies of sine and cosine functions to the time series of sea surface height at each point of the Geosat ground track is used to estimate the dominant frequency in the gulf for this time period. Optimal interpolation of the sine and cosine coefficients at the dominant frequency to a uniformly spaced grid allows reconstruction of the time series in the gulf and shows eddies shedding from the Loop Current with a period of approximately 10.5 months, consistent with shedding periods determined from numerical models and analysis of satellite infrared data. This technique is a novel method for investigation of periodic signals in Geosat altimetry and is not severely affected by the data outages present in the time series.

Jacobs, Gregg A.↗

NASA NTRS2011

Modeling of Coronal Mass Ejections that Caused Particularly Large Geomagnetic Storms Using ENLIL Heliosphere Cone Model

In our previous paper we reported the results of modeling of 14 selected well -observed strong halo coronal mass ejection (CME) events using the WSA -ENLIL cone model combination. Cone model input parameters were obtained from white light coronagraph images of the CME events using the analytical method developed by Xie et al. This work verified that coronagraph input gives reasonably good results for the CME arrival time prediction. In contrast to Taktakishvili et al., where we started the analysis by looking for clear CME signatures in the data and then proceeded to model the interplanetary consequences at 1 AU, in the present paper we start by generating a list of observed geomagnetic storm events and then work our way back to remote solar observations and carry out the corresponding CME modeling. The approach used in this study is addressing space weather forecasting and operational needs. We analyzed 36 particularly strong geomagnetic storms, then tried to associate them with particular CMEs using SOHO/LASCO catalogue, and finally modeled these CMEs using WSA-ENLIL cone model. Recently, Pulkkinen et al. developed a novel method for automatic determination of cone model parameters. We employed both analytical and automatic methods to determine cone model input parameters. We examined the CME arrival times and magnitude of impact at 1 AU for both techniques. The results of the simulations are compared with the ACE satellite observations. This comparison demonstrated that WSA -ENLIL model combination with coronagraph input gives reasonably good results for the CME arrival times for this set of 'geoeffective" CME events as well.

Taktakishvili, A.↗

DOE OSTI2025

Light-Induced Reorientation Transition in an Antiferromagnetic Semiconductor

Because of the lack of a net magnetic moment, antiferromagnets possess a unique robustness to external magnetic fields and are thus predicted to play an important role in future magnetic technologies. However, this robustness also makes them quite difficult to control, and the development of novel methods to manipulate these systems with external stimuli is a fundamental goal of antiferromagnetic spintronics. In this work, we report evidence for a metastable reorientation of the order parameter in an antiferromagnetic semiconductor triggered by an ultrafast quench of the equilibrium order via photoexcitation above the band gap. The metastable state forms less than 10 ps after the excitation pulse, and persists for longer than 150 ps before decaying to the ground state via thermal fluctuations. Importantly, this transition cannot be induced thermodynamically, and requires the system to be driven out of equilibrium. Broadly speaking, this phenomenology is ultimately the result of large magnetoelastic coupling in combination with a relatively low symmetry of the magnetic ground state. Since neither of these properties are particularly uncommon in magnetic materials, the observations presented here imply a generic path toward novel device technology enabled by ultrafast dynamics in antiferromagnets.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

NASA NTRS2008

Electroconductive PET/SWNT Films by Solution Casting

The market for electrically conductive polymers is rapidly growing, and an emerging pathway for attaining these materials is via polymer-carbon nanotube (CNT) nanocomposites, because of the superior properties of CNTs. Due to their excellent electrical properties and anisotropic magnetic susceptibility, we expect CNTs could be easily aligned to maximize their effectiveness in imparting electrical conductivity to the polymer matrix. Single-walled carbon nanotubes (SWNT) were dispersed in a polyethylene terephthalate (PET) matrix by solution blending then cast onto a glass substrate to create thin, flexible films. Various SWNT loading concentrations were implemented (0.5, 1.0, and 3.0 wt.%) to study the effect of additive density. The processing method was repeated to produce films in the presence of magnetic fields (3 and 9.4 Tesla). The SWNTs showed a high susceptibility to the magnetic field and were effectively aligned in the PET matrix. The alignment was characterized with Raman spectroscopy. Impedance spectroscopy was utilized to study the electrical behavior of the films. Concentration and dispersion seemed to play very important roles in improving electrical conductivity, while alignment played a secondary and less significant role. The most interesting result proved to be the effect of a magnetic field during processing. It appears that a magnetic field may improve dispersion of unmodified SWNTs, which seems to be more important than alignment. It was concluded that SWNTs offer a good option as conductive, nucleating filler for electroconductive polymer applications, and the utilization of a magnetic field may prove to be a novel method for CNT dispersion that could lead to improved nanocomposite materials.

Steinert, Brian W.↗

DOE OSTI2024

Thermal Transport and Mechanical Stress Mapping of a Compression Bonded GaN/Diamond Interface for Vertical Power Devices

Bonding diamond to the back side of gallium nitride (GaN) electronics has been shown to improve thermal management in lateral devices; however, engineering challenges remain with the bonding process and characterizing the bond quality for vertical device architectures. Here, in this study, integration of these two materials is achieved by room-temperature compression bonding centimeter-scale GaN and a diamond die via an intermetallic bonding layer of Ti/Au. Recent attempts at GaN/diamond bonding have utilized a modified surface activation bonding (SAB) method, which requires Ar fast atom bombardment immediately followed by bonding within the same tool under ultrahigh vacuum (UHV) conditions. The method presented here does not require a dedicated SAB tool yet still achieves bonding via a room-temperature metal–metal compression process. Imaging of the buried interface and the total bonding area is achieved via transmission electron microscopy (TEM) and confocal acoustic scanning microscopy (C-SAM), respectively. The thermal transport quality of the bond is extracted from spatially resolved frequency-domain thermoreflectance (FDTR) with the bonded areas boasting a thermal boundary conductance of >100 MW/m 2 ·K. Additionally, Raman maps of GaN near the GaN–diamond interface reveal a low level of compressive stress, <80 MPa, in well-bonded regions. FDTR and Raman were coutilized to map these buried interfaces and revealed some poor thermally bonded areas bordered by high-stress regions, highlighting the importance of spatial sampling for a complete picture of bond quality. Overall, this work demonstrates a novel method for thermal management in vertical GaN devices that maintains low intrinsic stresses while boasting high thermal boundary conductances.

Raman↗

DOE OSTI2023

Utilizing Conjugated Imine Polymers to Stabilize Nanoparticle Silicon Anodes

Silicon anodes provide a compelling route towards delivering high-capacity lithium-ion batteries, however they are notoriously difficult to stabilize in conventional liquid electrolytes that are compatible with high performance cathodes. Furthermore, the drastic changes in volume that occur as silicon is lithiated and delithiated can lead to rapid cell failure and novel polymeric binders are known to help mitigate mechanical issues. We have recently developed a novel method to synthesize the conjugated polymer phenylmethylimine (polyPMI) using an imine metathesis reaction. We have demonstrated that this polymer can be used to stabilize silicon nanoparticles to produce a composite lithium-ion battery anode that is electrochemically stable for hundreds of lithiation and delithiation cycles with a Coulombic efficiency that is greater than 99.95% in a traditional carbonate liquid electrolyte. This work covers the structure and properties of polyPMI within the context of the unique mechanical and electrochemical requirements of nanoparticle silicon anodes. The electrochemical behavior of this polymer also offers new opportunities as an organic lithium-coordinating material that can be used to stabilize a variety of other battery electrodes. More broadly, we posit that this solution-processed, ionically conductive, and electronically conductive polymer is applicable for a variety of energy storage and conversion technologies. Finally, this work demonstrates how this novel polymer chemistry provides additional opportunities for tuning electrode architecture to target high energy full cells.

conjugated polymers↗

NASA NTRS2003

SpaceDock: A Performance Task Platform for Spaceflight Operations

Preliminary evidence during both short- and long-duration spaceflight indicates that perceptual-motor coordination changes occur and persist in-flight. However, there is presently no in-flight method for evaluating astronaut performance on mission-critical tasks such as docking. We present a portable platform we have developed for attempting and evaluating docking, and describe the results of a pilot study wherein flight novices learned the docking task. Methods: A dual-joystick, six degrees of freedom platform-called SpaceDock-was developed to enable portable, adaptable performance testing in a spaceflight operations setting. Upon this platform, a simplified docking task was created, involving a constant rate of approach towards a docking target and requiring the user to correct translation in two dimensions and attitude orientation along one dimension (either pitch or roll). Ten flight naive subjects performed the task over a 45 min period and all joystick inputs and timings were collected, from which we could successfully reconstruct travel paths, input profiles and relative target displacements. Results: Subjects exhibited significant improvements in docking over the course of the experiment. Learning to compensate for roll-alterations was robust, whereas compensation for pitch-alterations was not in evidence in this population and relatively short training period. Conclusion: The SpaceDock platform can provide a novel method for training and testing subjects, on a spaceflight-relevant task, and can be used to examine behavioral learning, strategy use, and has been adapted for use in brain imaging experiments.

Marshburn, Thomas H.↗

DOE OSTI2024

Influenza A viral burst size from thousands of infected single cells using droplet quantitative PCR (dqPCR)

An important aspect of how viruses spread and infect is the viral burst size, or the number of new viruses produced by each infected cell. Surprisingly, this value remains poorly characterized for influenza A virus (IAV), commonly known as the flu. In this study, we screened tens of thousands of cells using a microfluidic method called droplet quantitative PCR (dqPCR). The high-throughput capability of dqPCR enabled the measurement of a large population of infected cells producing progeny virus. By measuring the fully assembled and successfully released viruses from these infected cells, we discover that the viral burst sizes for both the seasonal H3N2 and the 2009 pandemic H1N1 strains vary significantly, with H3N2 ranging from 10 1 to 10 4 viruses per cell, and H1N1 ranging from 10 1 to 10 3 viruses per cell. Some infected cells produce average numbers of new viruses, while others generate extensive number of viruses. In fact, we find that only 10% of the single-cell infections are responsible for creating a significant portion of all the viruses. This small fraction produced approximately 60% of new viruses for H3N2 and 40% for H1N1. On average, each infected cell of the H3N2 flu strain produced 709 new viruses, whereas for H1N1, each infected cell produced 358 viruses. This novel method reveals insights into the flu virus and can lead to improved strategies for managing and preventing the spread of viruses.

60 APPLIED LIFE SCIENCES↗

DOE OSTI2022

The Use of Thermal Cameras for Pedestrian Detection

Visible-range camera sensors have been widely used for pedestrian detection. However, most of the methods, which employ visible-range color cameras, do not perform well under low-light and no-light conditions, e.g. during night time. Since the working principle of thermal camera sensors is mainly based on temperature and not light, they have been employed for person detection to overcome the drawbacks of visible-range sensors under these conditions. Every object gives off thermal energy, which is captured by a thermal camera sensor. When an object becomes hotter, it emits more thermal energy, and is therefore captured as much brighter or vice versa. Yet, compared to visible-range cameras, there are many additional challenges that need to be addressed when detecting pedestrians from thermal camera images. These challenges include bright hot objects close to humans, similar pixel values in an image due to weather conditions, or objects that block thermal cameras such as concrete or glass. Glass acts like a mirror for infrared radiation and reflects whatever is in front of the camera. Thus, novel methods are still required to accomplish pedestrian detection task from thermal camera images. To contribute to these efforts, we propose a new method and a modified object detection network incorporating saliency maps of thermal camera images. The features obtained from thermal images and their corresponding saliency maps are combined to obtain richer representations of pedestrian regions, and better detection performance. We perform extensive evaluations on five different datasets to compare the performance of the proposed approach with two baselines. Moreover, we evaluate and compare the transferability of these approaches by doing leave-one-out cross validation across different datasets. Furthermore, the results show that the proposed approach outperforms the baselines, and has better transferability properties across different thermal image datasets.

47 OTHER INSTRUMENTATION↗

DOE OSTI2021

Proceedings from the State of the Science and Technology for Minimizing Impacts to Bats from Wind Energy

The U.S. Department of Energy Wind Energy Technologies Office (DOE WETO), and the National Renewable Energy Laboratory convened a workshop entitled the State of the Science and Technology for Minimizing Impacts to Bats from Wind Energy on 13–14 November 2019. The objectives of the workshop were to (1) Identify the current impact minimization measures that are, or can be, used to reduce bat fatalities at wind energy facilities, (2) Assess the current effectiveness of those minimization measures, (3) Identify and assess the research and development (R&D) opportunities needed to optimize and improve the effectiveness of current minimization and deterrent technologies and inform the development of future solutions; and (4) Identify potential emerging or novel methods for informing impact minimization measures at or around wind energy facilities. Specifically, the workshop focused on deterrent and curtailment strategies. For deterrents, the discussion centered on the existing technology (i.e., ultrasonic deterrents, dim-UV light, and texture coating), integration with wind turbines (either retrofitting or out of the box installation), effectiveness, validation studies, and cost (e.g., technology, installation, validation, and maintenance). For curtailment, the conversation was divided into blanket curtailment (i.e., based on time and wind speed) and smart curtailment (i.e., blanket curtailment plus additional variables such as temperature or bat activity). The workshop included plenary presentations, panels, and breakout sessions to share data and stakeholder perspectives, and engage participants. Although there are several priority topics related to bat and wind energy, this workshop focused the discussion on the current technologies and strategies that are, or can be, used to reduce bat fatalities at wind energy facilities, status of research and development (R&D) of minimization measures, opportunities to optimize costs and improve effectiveness, and potential emerging or novel approaches to explore. This workshop took a holistic approach and discussed all aspects associated with advancing deterrent technologies and curtailment strategies, including the technological, biological, economic, and regulatory barriers faced by the wind energy and wildlife community.

13 HYDRO ENERGY↗