Engineering Papers⌕ Search

SEARCH · Engineering Papers

Results for “leverage points”

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.

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

At least 613 records · Page 34
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Direct Evidence of Visible Light-Induced Homolysis in Chlorobis(2,9-dimethyl-1,10-phenanthroline)copper(II)

Developments in the field of photoredox catalysis that leveraged the long-lived excited states of Ir(III) and Ru(II) photosensitizers to enable radical coupling processes paved the way for explorations of synthetic transformations that would otherwise remain unrealized. While first row transition metal photocatalysts have not been as extensively investigated, valuable synthetic transformations covering broad scopes of olefin functionalization have been recently reported featuring photoactivated chlorobis(phenanthroline) Cu(II) complexes. In this study, the photochemical processes underpinning the catalytic activity of [Cu(dmp) 2 Cl]Cl (dmp = 2,9-dimethyl-1,10-phenanthroline) were studied. The combined results from static spectroscopic measurements and conventional photochemistry, ultrafast transient absorption, and electron paramagnetic resonance spin trapping experiments strongly support blue light (λ ex = 427 or 470 nm)-induced Cu–Cl homolytic bond cleavage in [Cu(dmp) 2 Cl] + occurring in <100 fs. On the basis of electronic structure calculations, this bond-breaking photochemistry corresponds to the Cl → Cu(II) ligand-to-metal charge transfer transition, unmasking a Cu(I) species [Cu(dmp) 2 ] + and a Cl atom, thereby serving as a departure point for both Cu(I)- or Cu(II)-based photoredox transformations. No net photochemistry was observed through direct excitation of the ligand-field transitions in the red (λ ex = 785 or 800 nm), and all combined experiments indicated no evidence of Cu–Cl bond cleavage under these conditions. As a result, the underlying visible light-induced homolysis of a metal–ligand bond yielding a one-electron-reduced photosensitizer and a radical species may form the basis for novel transformations initiated by photoinduced homolysis featuring in situ-formed metal–substrate adducts utilizing first row transition metal complexes.

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

Promoting CO 2 Release from CO 3 2- -Containing Solvents during Water Electrolysis for Direct Air Capture

The pH swings from water electrolysis are leveraged to condition OH – -based facile CO 2 capture solvents using an electrochemical flow cell for direct air capture (DAC). Besides demonstrating the DAC using a membrane contactor, promoting CO 2 release from a CO 3 2– solution at the anode is specifically studied by adjusting the volumetric flow rate, anode chamber volume, residence time, and K 2 CO 3 concentration. Through case-by-case comparisons coupled with modeled results, increasing current, reducing volumetric flow rate, and/or reducing CO 3 2– concentration are the effective methods to promote CO 2 release from a CO 3 2– -containing solvent, whereas enlarging the anode chamber volume poses a minor effect. Moreover, the discrepancies between the experimental and modeled results may be caused by H + crossover rather than K + transport through the Nafion membrane during water electrolysis based upon the total alkalinity measurements for the K 2 CO 3 solutions gleaned from the anode. Here, it is believed that such results will provide guidance to design and operate an electrochemical flow cell for electrochemistry-assisted DAC and point source CO 2 capture.

20 FOSSIL-FUELED POWER PLANTS↗
NASA NTRS2012

Integrated Simulation Design Challenges to Support TPS Repair Operations

During the Orbiter Repair Maneuver (ORM) operations planned for Return to Flight (RTF), the Shuttle Remote Manipulator System (SRMS) must grapple the International Space Station (ISS), undock the Orbiter, maneuver it through a long duration trajectory, and orient it to an EVA crewman poised at the end of the Space Station Remote Manipulator System (SSRMS) to facilitate the repair of the Thermal Protection System (TPS). Once repair has been completed and confirmed, then the SRMS proceeds back through the trajectory to dock the Orbiter to the Orbiter Docking System. In order to support analysis of the complex dynamic interactions of the integrated system formed by the Orbiter, ISS, SRMS, and SSMS during the ORM, simulation tools used for previous ‘nominal’ mission support required substantial enhancements. These upgrades were necessary to provide analysts with the capabilities needed to study integrated system performance. Prevalent throughout this ORM operation is a dynamically varying topology. In other words, the ORM starts with the SRMS grappled to the mated Shuttle/ISS stack (closed loop topology), moves to an open loop chain topology consisting of the Shuttle, SRMS, and ISS, and then, at the repair configuration, extends the chain topology to one consisting of the Shuttle, SMS, ISS, and SSRMS/EVA crewman. The resulting long dynamic chain of vehicles and manipulators may exhibit significant motion between the Shuttle worksite and the EVA crewman due to the system flexibility throughout the topology (particularly within the SRMS/SSRMS joints and links). Since the attachment points of both manipulators span the flexible structure of the ISS, simulation analysis may also need to take that into consideration. Moreover, due to the lengthy time duration associated with the maneuver and repair, orbital effects become a factor and require the ISS vehicle control system to maintain active attitude control. Several facets of the ORM operation make the associated analytical efforts different from previous mission support, including: (1) the magnitude of the SRMS handled payload (Le., Orbiter class), (2) the orbital effects induced on the integrated system consisting of the large Shuttle and ISS masses connected by a light flexible SRMS, (3) long duration environmental consequences due to the lengthy operational times associated with the maneuver and repair of the TPS, (4) active attitude control (as opposed to free drift) interacting with the SRMS and SSRMS manipulators (also due to the length of the maneuver and repair), (5) relative dynamics between the EVA crewman and thc worksite influenced by the extended flexible topology. In order to meet these analysis challenges, an ORM simulation architecture was developed leveraging upon numerous pre-existing simulation elements to analyze the various subsystems individually. For example, core manipulator subsystem simulations for both the SRMS and SSRMS were originally combined to provide the dual-arm dynamics topology simulation (in the absence of orbital dynamics and vehicle control). This capability was later merged with the simulation used to analyze SRMS loading with a heavy payload in the orbital environment with an active payload control system (in this case, the ISS Attitude Control System (ACS)), configured for the ORM. The resulting worksite dynamics simulation, based off of the modified ORM simulation, provided the extended topological chain of vehicles and manipulators, while taking into account the orbital effects of both the Shuttle and ISS (as well as its ACS). Verification and validation (V&V) of these integrated simulations became a challenge in itself. A systematic approach needed to be developed such that integration simulation results could be tested against previous constituent simulations upon which these simulations were built. General V&V categories included: (1) core orbital state propagation, (2), stand-alone SRMS, (3) stand-alone SSRMS, (4) stand-alone ISS ACS, (5) integrated Shuttle, SRMS, ISS (with active ACS) in the orbital environment, and (5) dual-arm SRMS/SSRMS dynamics topology. Integrated simulation V&V run suites were created and correlated to verification runs from subsystem simulations, in order to establish the validity of the results. This paper discusses the simulation design challenges encountered while developing simulation capabilities to mirror the ORM operations. The paper also describes the incremental build approach that was utilized, starting with the subsystem simulation elements and integration into increasing more complex simulations until the resulting ORM worksite dynamics simulation had been assembled. Furthermore, the paper presents an overall integrated simulation V&V methodology based upon a subsystem level testing, integrated comparisons, and phased checkout.

Thermal Protection System↗
DOE OSTI2023

Quantifying neptunium oxidation states in nitric acid through spectroelectrochemistry and chemometrics

Controlled-potential in situ thin-layer spectropotentiometry was leveraged to generate visible/near-infrared (VIS/NIR) absorption spectral data sets for the development of chemometric models to quantify Np(III/IV/V/VI) oxidation states in HNO 3 . This technology would be valuable in laboratory studies and when monitoring process solutions to guide feed adjustments for radiochemical separations—the performance of which depends on oxidation state. This approach successfully isolated and stabilized Np species in pure (~99%) oxidation states without compromising solution optical properties. Multivariate curve resolution–alternating least squares models were evaluated to resolve spectral and component concentrations from a scan that sequentially produced Np(VI), Np(V), Np(IV), and Np(III) spectra with mixtures of two valences at a time. Although it provided a useful approximation, the method was not able to quantitively resolve each component likely because of rotational ambiguity. Additionally, partial least squares regression models were built from artificial and electrochemically generated VIS/NIR spectral training sets to study the effect of interionic interactions on spectral characteristics. Models built with true Bi-chemical mixtures of coexisting Np oxidation states and spectra generated from additive combinations of pure end points had similar prediction performance. This methodology can be used to directly quantify Np concentration and the ratio of Np oxidation states and other actinides in remote settings such as hot cells.

38 RADIATION CHEMISTRY, RADIOCHEMISTRY, AND NUCLEA↗
DOE OSTI2022

Toward a More Complete Optical Census of Active Galactic Nuclei via Spatially Resolved Spectroscopy

While emission line flux ratio diagnostics are the most common technique for identifying active galactic nuclei (AGNs) in optical spectra, applying this approach to single-fiber spectra of galaxies can omit entire subpopulations of AGNs. Here, we use spatially resolved spectroscopy from the Mapping Nearby Galaxies at Apache Point Observatory (MaNGA) survey to construct a sample of 10 galaxies where Baldwin–Philips–Terlevich line flux ratio diagnostics classify each galaxy’s central 3" spectrum as LINER or star-forming, while >10% of the spaxels in the galaxy’s MaNGA footprint are classified as Seyfert. We obtain Chandra observations of these 10 galaxies with off-nuclear Seyfert regions to determine whether AGNs are actually present in them. Our main result is that 7–10 (depending on strictness of criteria) of the galaxies host one or more X-ray AGNs, even though none of them were classified as AGNs based on their single-fiber optical spectra. We find that these AGNs were not identified in the single-fiber spectra because they are AGNs in the nuclei of companion galaxies, low-luminosity AGNs, dust-obscured AGNs, and/or flickering AGNs. In summary, we find that off-nuclear AGN signatures may increase the number of known AGNs by a factor of two over what conventional single nuclear fiber spectra identify. Our results show that spatially resolved spectroscopy can be leveraged to reveal a more complete census of AGNs that are traditionally missed by single-fiber spectra.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2025

Unraveling nonperturbative QCD with transverse momentum hadronic structures

The main purpose of this thesis is to investigate the theoretical foundations of the factorization theorems that involve transverse quark and gluon momentum distributions, and to better understand the interface between foundational questions and phenomenological applications. Many of these applications involve using transverse parton momentum dependent (TMD) correlation functions as tools for probing the complex nonperturbative structures of the hadrons. We first introduce the concepts of collinear and TMD factorization in a toy-model theory and, by leveraging the comparative simplicity of such a model, we test the range of validity and limitations of the factorization approach. At the same time, we introduce the conventional approaches that are adopted for the phenomenological extractions of the TMD distributions, and catalog the advantages and disadvantages. Following the general theoretical framework of factorization, we then develop a different approach to TMD phenomenology that is able to systematically integrate the perturbative and non perturbative information in parametrizations of TMD distributions, while being completely consistent with their operator definitions and the predictions of QCD, including their nontrivial evolution. The name Hadron Structure Oriented approach, or HSO, is coined in order to emphasize the central role of the nonperturbative nature of QCD and its relation to the partonic structure of hadrons. Finally, we provide a first phenomenological implementation of the HSO approach by extracting TMD distributions relying on low-to-moderate energy Drell-Yan data. The quality and robustness of the results are then compared against higher energy processes like high-Q2 Z0 boson production. Our analysis demonstrates the feasibility of this novel approach and points the way toward the improvements it can achieve in future applications.

Rainaldi, Tommaso [Old Dominion Univ., Norfolk, VA↗
DOE OSTI2023

Evaluating 3 decades of precipitation in the Upper Colorado River basin from a high-resolution regional climate model

Abstract. Convection-permitting regional climate models (RCMs) have recently become tractable for applications at multi-decadal timescales. These types of models have tremendous utility for water resource studies, but better characterization of precipitation biases is needed, particularly for water-resource-critical mountain regions, where precipitation is highly variable in space, observations are sparse, and the societal water need is great. This study examines 34 years (1987–2020) of RCM precipitation from the Weather Research and Forecasting model (WRF; v3.8.1), using the Climate Forecast System Reanalysis (CFS; CFSv2) initial and lateral boundary conditions and a 1 km × 1 km innermost grid spacing. The RCM is centered over the Upper Colorado River basin, with a focus on the high-elevation, 750 km2 East River watershed (ERW), where a variety of high-impact scientific activities are currently ongoing. Precipitation is compared against point observations (Natural Resources Conservation Service Snow Telemetry or SNOTEL), gridded climate datasets (Newman, Livneh, and PRISM), and Bayesian reconstructions of watershed mean precipitation conditioned on streamflow and high-resolution snow remote-sensing products. We find that the cool-season precipitation percent error between WRF and 23 SNOTEL gauges has a low overall bias (x^ = 0.25 %, s = 13.63 %) and that WRF has a higher percent error during the warm season (x^ = 10.37 %, s = 12.79 %). Warm-season bias manifests as a high number of low-precipitation days, though the low-resolution or SNOTEL gauges limit some of the conclusions that can be drawn. Regional comparisons between WRF precipitation accumulation and three different gridded datasets show differences on the order of ± 20 %, particularly at the highest elevations and in keeping with findings from other studies. We find that WRF agrees slightly better with the Bayesian reconstruction of precipitation in the ERW compared to the gridded precipitation datasets, particularly when changing SNOTEL densities are taken into account. The conclusions are that the RCM reasonably captures orographic precipitation in this region and demonstrates that leveraging additional hydrologic information (streamflow and snow remote-sensing data) improves the ability to characterize biases in RCM precipitation fields. Error characteristics reported in this study are essential for leveraging the RCM model outputs for studies of past and future climates and water resource applications. The methods developed in this study can be applied to other watersheds and model configurations. Hourly 1 km × 1 km precipitation and other meteorological outputs from this dataset are publicly available and suitable for a wide variety of applications.

Geology↗
NASA NTRSDate not supplied

Volumetric Assessment of UPRITE Exercises From Marker-Based Motion Capture

BACKGROUND Lack of volumetric data on full-body movement of exercises presents a challenge to ensuring the fit of crew member’s full range of motion on the International Space Station (ISS). The Upright Proprioception Retention via In-flight Training and Evaluation (UPRITE) is a sensorimotor countermeasure device designed for maintaining crew members’ proprioception in a microgravity environment. A footplate—attached to a static base—rotates in two degrees of freedom (pitch and roll) up to a 20 deg angle. An initial volumetric assessment assuming an upright standing posture produced a cone-like shape with a narrow bottom and wide top. Such general volumetric assessments risk creating an overly conservative volume estimate, taking up more space than is necessary on the already limited interior space of the ISS, and neglecting necessary volume due to oversimplifying assumptions. Rather, higher-fidelity volumetric assessments offer more comprehensive insights in an environment where every area counts. The main objective of this work is to provide the spatial parameters of exercises on the UPRITE such that it is placed on the ISS according to its volumetric demands or that usage is adjusted to fit the available space. METHODS In 2023, a data collection was performed originally to inform loads and dynamics of system use and was recently leveraged for volumetric assessment. Three human subjects representing different body types (~63-76 inches in stature) performed a variety of board manipulations using UPRITE with body weight offload. The test collected the 3D positional data of a modified full-body Plug-in Gait marker set [1] via a 16-camera OptiTrack MoCap system. After processing – filling marker gaps and trimming data – in OptiTrack Motive, the recorded marker location data, which included device markers, was exported to a readable trajectory file. To accurately represent the full volume defining landmarks, additional markers were digitally added to an unscaled Modified Full Body Model [2]. The model was then scaled according to its subject parameters upon which an inverse kinematics analysis was performed. A custom plugin yielded model marker location data files. Volumetric analyses were performed on the recorded trajectory and model trajectory files using a custom Python-built tool that extracted the marker location data and plotted it in a 3D space. Concerned with only the maximum volume of the motion, a 3D convex hull analysis was applied to the plot, extracting the vertices or external points of the eventual 3D CAD output, dubbed aptly as a “volume shell”. This overall approach was based on guidance in a NASA-STD-3001 Technical Brief [3]. RESULTS AND DISCUSSION Batch volumetric assessment on the exercises for each subject was performed, producing high-fidelity volume shells in minimal time. Preliminary results highlighted the value in higher-fidelity volumes based on collected data when possible. For example, revolving a single posture in the cone assessment would not have sufficiently captured a single leg stance; rather, it would need to involve swinging the leg both forward and back. Additional observations and the maximal dimensions of the volumes, including those based on scaled data for ISS anthropometric requirements, will be presented at the Human Research Program Investigator’s Workshop. CONCLUSIONS While this work’s primary objective was for the UPRITE-to-ISS integration, the tool built to conduct this analysis has wide applications for future exercise systems as an informational tool for optimal device placement. The tool and its findings also have implications for exercise device design and spacecraft interior considerations on Gateway, the Lunar Pressurized Rover, and beyond. REFERENCES [1] Bell, C. A., et al. (2023) Recent Improvements and Verification of a Full Body Model in OpenSim. NASA Human Research Program Investigator’s Workshop. https://ntrs.nasa.gov/citations/20230001080 [2] Lostroscio, K., et al (2023) The Digital Astronaut Simulation. AHFE International Conference on Human Factors in Design, Engineering, and Computing for All. [3] Exercise Overview. (2023) NASA-STD-3001 Technical Brief. https://www.nasa.gov/wp-content/uploads/2023/12/ochmo-tb-031-exercise-overview.pdf?emrc=9d454c?emrc=9d454c

L D Quinto↗
DOE OSTI2021

A KBase Case Study on Genome-wide Transcriptomics and Plant Primary Metabolism in Sorghum

A better understanding of the genetic and metabolic mechanisms that confer stress resistance and tolerance in plants is key to engineering new crops through advanced breeding technologies. This requires a systems biology approach that builds on a genome-wide understanding of the regulation of gene expression, plant metabolism, physiology and growth. In this study, we examine the response to drought stress in Sorghum, as we leverage the tools for transcriptomics and plant metabolic modeling we have implemented at the U.S. Department of Energy Systems Biology Knowledgebase (KBase). KBase enables researchers worldwide to collaborate and advance research by allowing them to upload private or public data into the KBase Narrative Interface, empowering them to analyze this data using a rich, extensible array of computational and data-analytics tools, and allows them to securely share scientific workflows and conclusions. We demonstrate how to use the current RNA-seq tools in KBase, applicable to both plants and microbes, to assemble and quantify long transcripts and identify differentially expressed genes effectively. More specifically, we demonstrate the utility of the platform by identifying key genes that are differentially expressed during drought-stress in Sorghum bicolor, which is an important sustainable production crop plant. We then show how to use KBase tools to predict the membership of genes in metabolic pathways and examine expression data in the context of metabolic subsystems. We demonstrate the power of the platform by making the data analysis and interpretation available to the biologists in the reproducible, re-usable, point-and-click format of a KBase Narrative thus promoting FAIR (Findable, Accessible, Interoperable and Reusable) guiding principles for scientific data management and stewardship.

59 BASIC BIOLOGICAL SCIENCES↗
NASA NTRS2010

Cruise-Efficient Short Takeoff and Landing (CESTOL): Potential Impact on Air Traffic Operations

The National Aeronautics and Space Administration (NASA) is investigating technological and operational concepts for introducing Cruise-Efficient Short Takeoff and Landing (CESTOL) aircraft into a future US National Airspace System (NAS) civil aviation environment. CESTOL is an aircraft design concept for future use to increase capacity and reduce emissions. CESTOL provides very flexible takeoff, climb, descent and landing performance capabilities and a high-speed cruise capability. In support of NASA, this study is a preliminary examination of the potential operational impact of CESTOL on airport and airspace capacity and delay. The study examines operational impacts at a subject site, Newark Liberty Intemational Airport (KEWR), New Jersey. The study extends these KEWR results to estimate potential impacts on NAS-wide network traffic operations due to the introduction of CESTOL at selected major airports. These are the 34 domestic airports identified in the Federal Aviation Administration's Operational Evolution Plan (OEP). The analysis process uses two fast-time simulation tools to separately model local and NAS-wide air traffic operations using predicted flight schedules for a 24-hour study period in 2016. These tools are the Sen sis AvTerminal model and NASA's Airspace Concept Evaluation System (ACES). We use both to simulate conventional-aircraft-only and CESTOL-mixed-with-conventional-aircraft operations. Both tools apply 4-dimension trajectory modeling to simulate individual flight movement. The study applies AvTerminal to model traffic operations and procedures for en route and terminal arrival and departures to and from KEWR. These AvTerminal applications model existing arrival and departure routes and profiles and runway use configurations, with the assumption jet-powered, large-sized civil CESTOL aircraft use a short runway and standard turboprop arrival and departure procedures. With these rules, the conventional jet and CESTOL aircraft are procedurally separated from each other geographically and in altitude during tenninal airspace approach and departure operations, and each use a different arrival runway. AvTeminal implements its unique Focal-point Scheduling Process to sequence, space and delay aircraft to resolve spacing and overtake conflicts among flights in the airspace and airport system serving KEWR. This Process effectively models integrated arrival and departure operations. AvTerminal assesses acceptance rates and delay magnitude and causality at selected locations, including en route outer boundary fixes, tenninal airspace arrival and departure boundary fixes, terminal airspace arrival merge and departure diverge fixes, and runway landing and takeoff runways. The analysis compares the resulting capacity impacts, flight delays and delay sources between CESTOL and conventional KEWR operations. AvTerminal quantitative results showed that CESTOL has significant capability to increase airport arrival acceptance rates (35-40% at KEWR) by taking advantage of otherwise underused airspace and runways where available. The study extrapolates the AvTerminal-derived KEWR peak arrival and departure acceptance rates to estimate capacity parameter values for each of the OEP airports in the ACES modeling of traffic through the entire NAS network. The extrapolations of acceptance rates allow full, partial or no achievement of CESTOL capacity gains at an OEP airport as determined by assessments of the degree to which local procedures allow leveraging of CESTOL capabilities. These assessments consider each OEP airport's runway geometries, runway system configurations, airport and airspace operations, and potential CESTOL traffic loadings. The ACES modeling, simulates airport and airspace spacing constraints imposed by airport runway system, terminal and en route air traffic control and traffic flow management operations using airport acceptance rates representing conventional-aircraft-only and CESTOL-mixed operations. CEOL aircraft are assumed to have Mach 0.8, and alternatively Mach 0.7, cruise speeds to examine compatibility with conventional aircraft operations in common airspace. The ACES results provides estimates of CESTOL delay impact NAS-wide and at OEP airports due to changes in OEP airport acceptance rates and changes in en route airspace potential conflict rates. Preliminary results show meaningful nationwide delay reductions (20%) due to CESTOL operations at 34 major domestic airports.

Couluris, G. J.↗
DOE OSTI2024

Advanced multimaterial shape optimization methods as applied to advanced manufacturing of wind turbine generators

Abstract Currently, many utility‐scale wind turbine generator original equipment manufacturers are dependent on imported rare earth permanent magnets, which are susceptible to market risks from cost instability. To lower the production costs of these generators and stay competitive in the market, several small wind manufacturers are pursuing continuous improvements to both generator design and manufacturing. However, traditional design and manufacturing methods have yielded marginal improvements in wind power performance. This work presents novel methods to redesign a baseline 15‐kW wind turbine generator with reduced rare‐earth permanent magnets by leveraging cutting‐edge three‐dimensional (3D) printed polymer‐bonded permanent magnets and steel. Symmetric, asymmetric, and multimaterial‐magnet parametrization methods are introduced for shape optimization. We extend the symmetric and asymmetric methods to the back iron in the stator to further investigate the impact and opportunities for performance improvements with lesser active materials. We employ a design‐of‐experiments approach with parametric computer‐aided design for shape generation and evaluate different designs by magneto‐thermal modeling and finite‐element analysis. We use adaptive sampling technique to identify better performing designs with lesser magnet mass, higher efficiency, and lower cogging torque when compared with the baseline generator. Asymmetric pole designs resulted in a magnet mass in the range of 4.77–5.37 kg, which was 27%–35% lighter than the baseline generator, suggesting that a new design freedom exists that can be enabled by advanced manufacturing, such as 3D printing. Shaping the back iron in the stator resulted in material savings in electrical steel of up to 14.62 kg, which was 20% lighter than the baseline stator. We conducted a structural analysis to evaluate an optimized asymmetric rotor design from the point of view of mechanical integrity and air‐gap stiffness. The magnetically optimal shape profile was shown as having a positive impact on the radial stiffness, and an optimal solution was discovered to reduce the structural mass by nearly 30 kg, which was 29% lighter than the baseline.

17 WIND ENERGY↗
DOE OSTI2023

Full forward model of galaxy clustering statistics with AbacusSummit light cones

ABSTRACT Novel summary statistics beyond the standard 2-point correlation function (2PCF) are necessary to capture the full astrophysical and cosmological information from the small-scale (r < 30h−1Mpc) galaxy clustering. However, the analysis of beyond-2PCF statistics on small scales is challenging because we lack the appropriate treatment of observational systematics for arbitrary summary statistics of the galaxy field. In this paper, we develop a full forward modelling pipeline for a wide range of summary statistics using the large high-fidelity AbacusSummit light cones that account for many systematic effects as well as remain flexible and computationally efficient to enable posterior sampling. We apply our forward model approach to a fully realistic mock galaxy catalog and demonstrate that we can recover unbiased constraints on the underlying galaxy–halo connection model using two separate summary statistics: the standard 2PCF and the novel k-th nearest neighbour (kNN) statistics, which are sensitive to correlation functions of all orders. We will demonstrate its strong constraining power on extended galaxy–halo connection models and cosmology in follow up papers. We expect this to become a powerful approach when applying to upcoming surveys such as DESI where we can leverage a multitude of summary statistics across a wide redshift range to maximally extract information from the non-linear scales.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2026

Robust Containment Queries over Collections of Trimmed NURBS Surfaces via Generalized Winding Numbers

Here, we propose a containment query that is robust to the watertightness of regions bound by trimmed NURBS surfaces, as this property is difficult to guarantee for in-the-wild CAD models. Containment is determined through the generalized winding number (GWN), a mathematical construction that is indifferent to the arrangement of surfaces in the shape. Applying contemporary techniques for the 3D GWN to trimmed NURBS surfaces requires some form of geometric discretization, introducing computational inefficiency to the algorithm and even risking containment misclassifications near the surface. In contrast, our proposed method leverages properties of the 3D solid angle to solve the relevant surface integral using a boundary formulation with rapidly converging adaptive quadrature. Batches of queries are further accelerated by memoizing (i.e., caching and reusing) quadrature node positions and tangents as they are evaluated. We demonstrate that our GWN method is robust to complex trimming geometry in a CAD model, and is accurate up to arbitrary precision at arbitrary distances from the surface. The derived containment query is therefore robust to model non-watertightness while respecting all curved features of the input shape.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2022

Data-driven model for divertor plasma detachment prediction

We present a fast and accurate data-driven surrogate model for divertor plasma detachment prediction leveraging the latent feature space concept in machine learning research. Our approach involves constructing and training two neural networks: an autoencoder that finds a proper latent space representation (LSR) of plasma state by compressing the multi-modal diagnostic measurements and a forward model using multi-layer perception (MLP) that projects a set of plasma control parameters to its corresponding LSR. By combining the forward model and the decoder network from autoencoder, this new data-driven surrogate model is able to predict a consistent set of diagnostic measurements based on a few plasma control parameters. In order to ensure that the crucial detachment physics is correctly captured, highly efficient 1D UEDGE model is used to generate training and validation data in this study. The benchmark between the data-driven surrogate model and UEDGE simulations shows that our surrogate model is capable of providing accurate detachment prediction (usually within a few per cent relative error margin) but with at least four orders of magnitude speed-up, indicating that performance-wise, it has the potential to facilitate integrated tokamak design and plasma control. Comparing with the widely used two-point model and/or two-point model formatting, the new data-driven model features additional detachment front prediction and can be easily extended to incorporate richer physics. This study demonstrates that the complicated divertor and scrape-off-layer plasma state has a low-dimensional representation in latent space. Understanding plasma dynamics in latent space and utilising this knowledge could open a new path for plasma control in magnetic fusion energy research.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2022

An Activity-Based Oxaziridine Platform for Identifying and Developing Covalent Ligands for Functional Allosteric Methionine Sites: Redox-Dependent Inhibition of Cyclin-Dependent Kinase 4

Activity-based protein profiling (ABPP) is a versatile strategy for identifying and characterizing functional protein sites and compounds for therapeutic development. However, the vast majority of ABPP methods for covalent drug discovery target highly nucleophilic amino acids such as cysteine or lysine. Here, we report a methionine-directed ABPP platform using Redox-Activated Chemical Tagging (ReACT), which leverages a biomimetic oxidative ligation strategy for selective methionine modification. Application of ReACT to oncoprotein cyclin-dependent kinase 4 (CDK4) as a representative high-value drug target identified three new ligandable methionine sites. We then synthesized a methionine-targeting covalent ligand library bearing a diverse array of heterocyclic, heteroatom, and stereochemically rich substituents. ABPP screening of this focused library identified 1oxF11 as a covalent modifier of CDK4 at an allosteric M169 site. This compound inhibited kinase activity in a dose-dependent manner on purified protein and in breast cancer cells. Further investigation of 1oxF11 found prominent cation-π and H-bonding interactions stabilizing the binding of this fragment at the M169 site. Quantitative mass-spectrometry studies validated 1oxF11 ligation of CDK4 in breast cancer cell lysates. Further biochemical analyses revealed cross-talk between M169 oxidation and T172 phosphorylation, where M169 oxidation prevented phosphorylation of the activating T172 site on CDK4 and blocked cell cycle progression. Finally, by identifying a new mechanism for allosteric methionine redox regulation on CDK4 and developing a unique modality for its therapeutic intervention, this work showcases a generalizable platform that provides a starting point for engaging in broader chemoproteomics and protein ligand discovery efforts to find and target previously undruggable methionine sites.

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

Environmental Flow Requirements from FERC Licenses Across the US

Environmental flow requirements included in Federal Energy Regulatory Commission (FERC) hydropower licenses are important for balancing natural properties and benefits of river ecosystems (e.g., healthy species, recreation, water supply, flood control) supporting hydropower production. In some cases, environmental flow requirements may limit operational flexibility given current operational schemes and make a hydropower plant less able to provide power to the electric grid on demand. Hydropower plants may gain some flexibility as hydropower scheduling time periods are made to be more responsive to the short-term needs of an energy grid increasingly reliant on intermittent renewables. However, many flow requirements focus on the daily, monthly, or seasonal flow fluctuations which matches the time scale of most paradigms linking flow alterations to the health of river ecosystems. This dataset seeks to provide a greater understanding of how flexibility in environmental requirements can be leveraged to create positive outcomes for both the power system and the environment. It contains information on environmental flow requirements from the Protection, Mitigation, and Enhancement section of 50 randomly selected FERC licenses: 25 issued from 1998-2013 that were also included in the ORNL Mitigation Database (Schramm et al. 2015) and 25 issued from 2014-present. The information on environmental flow requirements was extracted from the PM&E section of 50 randomly selected FERC licenses: 25 issued from 1998-2013 that were also included in the ORNL Mitigation Database (Schramm et al. 2015) and 25 issued from 2014-present. The flow requirements were then categorized into flow augmentation categories based on whether the license stated a specific water management purpose for the given requirement called augmentation categories (i.e., fisheries or habitat, recreation or boating, industry, and general or unspecified; Table B). Requirements were also grouped into flow type categories (e.g., minimum flow rate, maximum flow rate, ramping rate). Additional information related to flow requirements such as the augmentation time-period and whether the flow rate was continuous (i.e., condition must be present at all-times) or instantaneous (i.e., condition present at a point in time) was also extracted from the licenses. Some licenses had specific flow requirements based on whether the project was in a wet, dry, or normal water year. If that information was presented in the license, it was also included in the data set. The location within the project was noted, hereafter, zone, in the dataset for flow requirements relating to specific areas of hydropower projects (Dam, Powerhouse, Bypass Reach). Maximum discharge capacities of hydropower facilities were also extracted from both the Existing Hydropower Assets (EHA) data set and the National Inventory of Dams (NID) databases. Each facility was coded with project identification codes from the EHA dataset to facilitate cross-referencing between datasets.

13 HYDRO ENERGY↗
NASA NTRS2009

Ares V: Game Changer for National Security Launch

NASA is designing the Ares V cargo launch vehicle to vastly expand exploration of the Moon begun in the Apollo program and enable the exploration of Mars and beyond. As the largest launcher in history, Ares V also represents a national asset offering unprecedented opportunities for new science, national security, and commercial missions of unmatched size and scope. The Ares V is the heavy-lift component of NASA's dual-launch architecture that will replace the current space shuttle fleet, complete the International Space Station, and establish a permanent human presence on the Moon as a stepping-stone to destinations beyond. During extensive independent and internal architecture and vehicle trade studies as part of the Exploration Systems Architecture Study (ESAS), NASA selected the Ares I crew launch vehicle and the Ares V to support future exploration. The smaller Ares I will launch the Orion crew exploration vehicle with four to six astronauts into orbit. The Ares V is designed to carry the Altair lunar lander into orbit, rendezvous with Orion, and send the mated spacecraft toward lunar orbit. The Ares V will be the largest and most powerful launch vehicle in history, providing unprecedented payload mass and volume to establish a permanent lunar outpost and explore significantly more of the lunar surface than was done during the Apollo missions. The Ares V consists of a Core Stage, two Reusable Solid Rocket Boosters (RSRBs), Earth Departure Stage (EDS), and a payload shroud. For lunar missions, the shroud would cover the Lunar Surface Access Module (LSAM). The Ares V Core Stage is 33 feet in diameter and 212 feet in length, making it the largest rocket stage ever built. It is the same diameter as the Saturn V first stage, the S-IC. However, its length is about the same as the combined length of the Saturn V first and second stages. The Core Stage uses a cluster of five Pratt & Whitney Rocketdyne RS-68B rocket engines, each supplying about 700,000 pounds of thrust. Its propellants are liquid hydrogen and liquid oxygen. The two solid rocket boosters provide about 3.5 million pounds of thrust at liftoff. These 5.5-segment boosters are derived from the 4-segment boosters now used on the Space Shuttle, and are similar to those used in the Ares I first stage. The EDS is powered by one J-2X engine. The J-2X, which has roughly 294,000 pounds of thrust, also powers the Ares I Upper Stage. It is derived from the J-2 that powered the Saturn V second and third stages. The EDS performs two functions. Its initial suborbital burns will place the lunar lander into a stable Earth orbit. After the Orion crew vehicle, launched separately on an Ares I, docks with the lander/EDS stack, EDS will ignite a second time to put the combined 65-metric ton vehicle into a lunar transfer orbit. When it stands on the launch pad at Kennedy Space Center late in the next decade, the Ares V stack will be approximately 381 feet tall and have a gross liftoff mass of 8.1 million pounds. The current point-of-departure design exceeds Saturn V s mass capability by approximately 40 percent. Using the current payload shroud design, Ares V can carry 315,000 pounds to 29-degree low Earth orbit (LEO) or 77,000 pounds to a geosynchronous orbit. Another unique aspect of the Ares V is the 33-foot-diameter payload shroud, which encloses approximately 30,400 cubic feet of usable volume. A larger hypothetical shroud for encapsulating larger payloads has been studied. While Ares V makes possible larger payload masses and volumes, it may alternately make possible more cost-effective mission design if the relevant payload communities are willing to consider an alternative to the existing approach that has driven them to employ complexity to solve current launch vehicle mass and volume constraints. By using Ares V s mass and volume capabilities as margin, payload designers stand to reduce development risk and cost. Significant progress has been made on the Ares V to support a plaed fiscal 2011 authority-to-proceed (ATP) milestone. The Ares V team is actively reaching out to external organizations during this early concept phase to ensure that the Ares V vehicle can be leveraged for national security, science, and commercial development needs. This presentation will discuss Ares V vehicle configuration, the path to the current concept, accomplishments to date, and potential payload utilization opportunities.

Sumrall, Phil↗
DOE OSTI2025

Omnigenous stellarators with improved ideal and kinetic ballooning stability

Omnigenity is a property of a magnetic field which ensures confinement of trapped particles. It is a necessary requirement for any high-performance stellarator. After creating an omnigenous equilibrium, one must also ensure reduced transport resulting from kinetic and magnetohydrodynamic (MHD) instabilities. To this end, we leverage the GPU-accelerated DESC optimization suite, which is used to design stable, finite-β omnigenous equilibria with poloidal, toroidal, and helical symmetry, achieving Mercier, ideal ballooning, and as a consequence, improved kinetic ballooning stability. We discover stellarators with second stability, a regime of large pressure gradient where an equilibrium becomes ideal ballooning stable, and demonstrate and explore both using theory and gyrokinetic simulations the connection between ideal and kinetic ballooning stability.

optimization↗