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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 1,135 records · Page 63
All sourcesNASA NTRSDOE OSTI
DOE OSTI2018

A Surveillance Infrastructure for Malaria Analytics: Provisioning Data Access and Preservation of Interoperability

Background: According to the World Health Organization, malaria surveillance is weakest in countries and regions with the highest malaria burden. A core obstacle is that the data required to perform malaria surveillance are fragmented in multiple data silos distributed across geographic regions. Furthermore, consistent integrated malaria data sources are few, and a low degree of interoperability exists between them. As a result, it is difficult to identify disease trends and to plan for effective interventions. Objective: We propose the Semantics, Interoperability, and Evolution for Malaria Analytics (SIEMA) platform for use in malaria surveillance based on semantic data federation. Using this approach, it is possible to access distributed data, extend and preserve interoperability between multiple dynamic distributed malaria sources, and facilitate detection of system changes that can interrupt mission-critical global surveillance activities. Methods: We used Semantic Automated Discovery and Integration (SADI) Semantic Web Services to enable data access and improve interoperability, and the graphical user interface-enabled semantic query engine HYDRA to implement the target queries typical of malaria programs. We implemented a custom algorithm to detect changes to community-developed terminologies, data sources, and services that are core to SIEMA. This algorithm reports to a dashboard. Valet SADI is used to mitigate the impact of changes by rebuilding affected services. Results: We developed a prototype surveillance and change management platform from a combination of third-party tools, community-developed terminologies, and custom algorithms. We illustrated a methodology and core infrastructure to facilitate interoperable access to distributed data sources using SADI Semantic Web services. This degree of access makes it possible to implement complex queries needed by our user community with minimal technical skill. We implemented a dashboard that reports on terminology changes that can render the services inactive, jeopardizing system interoperability. Using this information, end users can control and reactively rebuild services to preserve interoperability and minimize service downtime. Conclusions: We introduce a framework suitable for use in malaria surveillance that supports the creation of flexible surveillance queries across distributed data resources. The platform provides interoperable access to target data sources, is domain agnostic, and with updates to core terminological resources is readily transferable to other surveillance activities. A dashboard enables users to review changes to the infrastructure and invoke system updates. The platform significantly extends the range of functionalities offered by malaria information systems, beyond the state-of-the-art.

60 APPLIED LIFE SCIENCES↗
NASA NTRS2016

Phase Retrieval Implementation for the WFIRST Coronagraph Development Testbed

The Wide-Field Infrared Survey Telescope (WFIRST) is a 2.4m diameter space telescope NASA program. The payload will include two instruments, including a coronagraph instrument (CGI). The CGI will be the first active, high-contrast stellar coronagraph in space intended for imaging, discovery, and spectral characterization of exoplanets and debris discs. The CGI designs under development use deformable mirrors (DM) to create a point spread function (PSF) with a dark region around the obscured star object. Each DM consists of an array of actuators, and each actuator causes a local displacement to a thin, mirror-coated, glass face sheet. The actuator displacements are designed to create the PSF. Typically, phase retrieval is used to set the DM actuator displacements to their designed pattern, and then the actuators are further modified by an iterative control loop to correct for system non-idealities. To observe an exoplanet near the star object, the contrast in the annular region must be better than 10^8 (10^9 after post processing) relative to the unobstructed image of the star [1,2]. The coronagraph testbed at Jet Propulsion Laboratory is used to test coronagraph design and control algorithms. The optical system (Fig. 1) is maintained in a vacuum tank so that the PSF is stable for long integration times. Phase retrieval is an important tool for the testbed and serves several purposes, in addition to setting initial DM actuator displacements. Other uses include evaluation of systematic wavefront error introduced by system components, and alignment of the DMs and pupil masks. For example, the location of specific DM actuators relative to the Lyot mask can be determined by displacing the actuator, then measuring the location of the phase disturbance in the pupil plane with phase retrieval. In the next section we further describe the optical train of the testbed and the collection of source and pupil images available as inputs for phase retrieval, as well as one phase retrieval algorithm employed. Section 3 shows example phase retrieval results.

Marx, David↗
DOE OSTI2026

High-throughput validation of phase formability and simulation accuracy of Cantor alloys

High-throughput methods enable accelerated discovery of novel materials in complex systems such as high-entropy alloys, which exhibit intricate phase stability across vast compositional spaces. Computational approaches, including Density Functional Theory (DFT) and calculation of phase diagrams (CALPHAD), facilitate screening of phase formability as a function of composition and temperature. However, the integration of computational predictions with experimental validation remains challenging in high-throughput studies. In this work, we introduce a quantitative confidence metric to assess the agreement between predictions and experimental observations, providing a quantitative measure of the confidence of machine learning models trained on either DFT or CALPHAD input in accounting for experimental evidence. The experimental dataset was generated via high-throughput in-situ synchrotron X-ray diffraction on compositionally varied FeNiMnCr alloy libraries, heated from room temperature to ~1000 °C. Agreement between the observed and predicted phases was evaluated using either temperature-independent phase classification or a model that incorporates a temperature-dependent probability of phase formation. This integrated approach demonstrates where strong overall agreement between computation and experiment exists, while also identifying key discrepancies, particularly in FCC/BCC predictions at Mn-rich regions to inform future model refinement.

36 - MATERIALS SCIENCE↗
DOE OSTI2022

Fluid-Kinetic Coupling: Advanced Discretizations for Simulations on Emerging Heterogeneous Architectures (LDRD FY20-0643)

Plasma physics simulations are vital for a host of Sandia mission concerns, for fundamental science, and for clean energy in the form of fusion power. Sandia's most mature plasma physics simulation capabilities come in the form of particle-in-cell (PIC) models and magnetohydrodynamics (MHD) models. MHD models for a plasma work well in denser plasma regimes when there is enough material that the plasma approximates a fluid. PIC models, on the other hand, work well in lower-density regimes, in which there is not too much to simulate; error in PIC scales as the square root of the number of particles, making high-accuracy simulations expensive. Real-world applications, however, almost always involve a transition region between the high-density regimes where MHD is appropriate, and the low-density regimes for PIC. In such a transition region, a direct discretization of Vlasov is appropriate. Such discretizations come with their own computational costs, however; the phase-space mesh for Vlasov can involve up to six dimensions (seven if time is included), and to apply appropriate homogeneous boundary conditions in velocity space requires meshing a substantial padding region to ensure that the distribution remains sufficiently close to zero at the velocity boundaries. Moreover, for collisional plasmas, the right-hand side of the Vlasov equation is a collision operator, which is non-local in velocity space, and which may dominate the cost of the Vlasov solver. The present LDRD project endeavors to develop modern, foundational tools for the development of continuum-kinetic Vlasov solvers, using the discontinuous Petrov-Galerkin (DPG) methodology, for discretization of Vlasov, and machine-learning (ML) models to enable efficient evaluation of collision operators. DPG affords several key advantages. First, it has a built-in, robust error indicator, allowing us to adapt the mesh in a very natural way, enabling a coarse velocity-space mesh near the homogeneous boundaries, and a fine mesh where the solution has fine features. Second, it is an inherently high-order, high-intensity method, requiring extra local computations to determine so-called optimal test functions, which makes it particularly suited to modern hardware in which floating-point throughput is increasing at a faster rate than memory bandwidth. Finally, DPG is a residual-minimizing method, which enables high-accuracy computation: in typical cases, the method delivers something very close to the $L^2$ projection of the exact solution. Meanwhile, the ML-based collision model we adopt affords a cost structure that scales as the square root of a standard direct evaluation. Moreover, we design our model to conserve mass, momentum, and energy by construction, and our approach to training is highly flexible, in that it can incorporate not only synthetic data from direct-simulation Monte Carlo (DSMC) codes, but also experimental data. We have developed two DPG formulations for Vlasov-Poisson: a time-marching, backward-Euler discretization and a space-time discretization. We have conducted a number of numerical experiments to verify the approach in a 1D1V setting. In this report, we detail these formulations and experiments. We also summarize some new theoretical results developed as part of this project (published as papers previously): some new analysis of DPG for the convection-reaction problem (of which the Vlasov equation is an instance), a new exponential integrator for DPG, and some numerical exploration of various DPG-based time-marching approaches to the heat equation. As part of this work, we have contributed extensively to the Camellia open-source library; we also describe the new capabilities and their usage. We have also developed a well-documented methodology for single-species collision operators, which we applied to argon and demonstrated with numerical experiments. We summarize those results here, as well as describing at a high level a design extending the methodology to multi-species operators. We have released a new open-source library, MLC, under a BSD license; we include a summary of its capabilities as well.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
NASA NTRS2019

Human Performance Contributions to Safety in Commercial Aviation

Every day in aviation, pilots, air traffic controllers, and other front-line personnel perform countless correct judgments and actions in a variety of operational environments. These judgments and actions are often the difference between an accident and a non-event. Ironically, data on these behaviors are rarely collected or analyzed. Data-driven decisions about safety management and design of safety-critical systems are limited by the available data, which influence how decision makers characterize problems and identify solutions. Large volumes of data are collected on the failures and errors that result in infrequent incidents and accidents, but in the absence of data on behaviors that result in routine successful outcomes, safety management and system design decisions are based on a small sample of nonrepresentative safety data. This assessment aimed to find and document “safety successes” made possible by human operators. With many Aeronautics Research Mission Directorate (ARMD) Programs and Projects focusing on increased automation and autonomy and decreased human involvement, failure to fully consider the human contributions to successful system performance in civil aviation represents a significant risk — a risk that has not been recognized to date. Without understanding how humans contribute to safety, any estimate of predicted safety of autonomous capabilities is incomplete and inherently suspect. Furthermore, understanding the ways in which humans contribute to safety can promote strategic interactions among safety technologies, functions, procedures and the people using them. Without this understanding, the full benefits of an integrated, optimized human/technology or autonomous system will not be realized. Historically, safety has been consistently defined in terms of the occurrence of accidents or recognized risks (i.e., in terms of things that go wrong). These adverse outcomes are explained by identifying their causes, and safety is restored by eliminating or mitigating these causes. An alternative to this approach is to focus on what goes right and identify how to replicate that process. Focusing on the rare cases of failures attributed to “human error” provides little information about why human performance routinely prevents adverse events. Hollnagel has proposed that things go right because people continuously adjust their work to match their operating conditions. These adjustments become increasingly important as systems continue to grow in complexity. Thus, the definition of safety should reflect not only “avoiding things that go wrong” but “ensuring that things go right.” The basis for safety management requires developing an understanding of everyday activities. However, few mechanisms to monitor everyday work exist in the aviation domain, which limits opportunities to learn how designs function in reality. This concept of safety thinking and safety management is reflected in the emerging field of resilience engineering. According to Hollnagel, a system is resilient if it can sustain required operations under expected and unexpected conditions by adjusting its functioning prior to, during, or following changes, disturbances, and opportunities. To explore “positive” behaviors that contribute to resilient performance in commercial aviation, the assessment team examined a range of existing sources of data about pilot and air traffic control (ATC) tower controller performance, including subjective interviews with domain experts and objective aircraft flight data records. These data were used to identify strategies that support resilient performance, methods for exploring and refining those strategies in existing data, and proposed methods for capturing and analyzing new data.

Null, Cynthia H.↗
DOE OSTI2025

Designing a Framework for Solving Multiobjective Simulation Optimization Problems

Multiobjective simulation optimization (MOSO) problems are optimization problems with multiple conflicting objectives, where evaluation of at least one of the objectives depends on a black-box numerical code or real-world experiment, which we refer to as a simulation. Whereas an extensive body of research is dedicated to developing new algorithms and methods for solving these and related problems, it is challenging and time-consuming to integrate these techniques into real-world production-ready solvers. This is partly because of the diversity and complexity of modern state-of-the-art MOSO algorithms and methods and partly because of the complexity and specificity of many real-world problems and their corresponding computing environments. The complexity of this problem is only compounded when introducing potentially complex and/or domain-specific surrogate-modeling techniques, problem formulations, design spaces, and data acquisition functions. Here, this paper carefully surveys the current state of the art in MOSO algorithms, techniques, and solvers, as well as problem types and computational environments where MOSO is commonly applied. We then present several key challenges in the design of a parallel multiobjective simulation optimization framework (ParMOO) and how they have been addressed. Finally, we provide two case studies demonstrating how customized ParMOO solvers can be quickly built and deployed to solve real-world MOSO problems.

engineering design optimization↗
NASA NTRS2026

Spacecraft Radiator Protection from Ionizing Radiation, Dust, and Excessive Heat Loss

Under a Phase II SBIR project funded by NASA Johnson Space Center (Contract No. 80NSSC25C0088), Analytical Scientific Products LLC (ASP) has been developing an actively controlled louver to protect spacecraft radiators from degradation due to exposure to various types of environmental conditions. Of particular interest are ionizing radiation during spacecraft transit through the Van Allen belts, dust during spacecraft landing and surface operations on the moon, and excessive heat loss during the long lunar night especially near the poles where the local ambient temperatures can drop below -200°C. Exposure to ionizing radiation and dust can degrade the optical properties of the radiator coating that in turn reduces its ability to reject excess heat from the spacecraft into the environment. Exposure to the extremely low temperature conditions during the lunar night near the poles can freeze the radiator fluids that can compromise the integrity of the radiator. Passive louvers constructed using thick aluminum vanes are used currently to protect spacecraft radiators from some of the above effects, but they have several drawbacks: (i) their high aerial density makes it impractical to scale them to protect the much larger spacecraft radiators needed for future manned missions to the moon and beyond, (ii) the bimetallic actuators used to open and close the vanes in passive louvers rely on external temperature alone and so the louver cannot offer protection from dust and ionizing radiation when the ambient temperatures are high, and (iii) the bimetallic actuators need time scales of the order of hours to open and close. We have addressed the above limitations of passive louvers through the development of a low aerial density and rapidly actuating actively controlled louver. It is constructed from a custom alloy that offers much higher levels of protection against the ionizing radiation, dust and excessive heat loss at a fraction of weight compared to passive louvers while providing opening and closing time scales of the order of a second. Our modular design makes it easy to scale the system up or down depending on the application. We have recently constructed a 31 inch × 31 inch module of this louver and tested its functionality and effectiveness. These tests have shown that the louver can be opened and closed in less than 2 s. It reduces the transmission of ionizing radiation by 78% to 100% (depending on the radiation source), dust transmission by more than 93%, and heat loss by more than 97%. We are currently preparing to evaluate this device at the Johnson Space Center’s cryogenic vacuum chamber where it can be subjected to simulated lunar surface conditions. This paper provides a detailed discussion of the test designs as well as the data from tests that demonstrate the effectiveness in reducing the transmission of ionizing radiation, dust, and heat under laboratory conditions.

Radiator↗
NASA NTRSDate not supplied

Spacecraft Radiator Protection from Ionizing Radiation, Dust, and Excessive Heat Loss

Under a Phase II SBIR project funded by NASA Johnson Space Center (Contract No. 80NSSC25C0088), Analytical Scientific Products LLC (ASP) has been developing an actively controlled louver to protect spacecraft radiators from degradation due to exposure to various types of environmental conditions. Of particular interest are ionizing radiation during spacecraft transit through the Van Allen belts, dust during spacecraft landing and surface operations on the moon, and excessive heat loss during the long lunar night especially near the poles where the local ambient temperatures can drop below -200°C. Exposure to ionizing radiation and dust can degrade the optical properties of the radiator coating that in turn reduces its ability to reject excess heat from the spacecraft into the environment. Exposure to the extremely low temperature conditions during the lunar night near the poles can freeze the radiator fluids that can compromise the integrity of the radiator. Passive louvers constructed using thick aluminum vanes are used currently to protect spacecraft radiators from some of the above effects, but they have several drawbacks: (i) their high aerial density makes it impractical to scale them to protect the much larger spacecraft radiators needed for future manned missions to the moon and beyond, (ii) the bimetallic actuators used to open and close the vanes in passive louvers rely on external temperature alone and so the louver cannot offer protection from dust and ionizing radiation when the ambient temperatures are high, and (iii) the bimetallic actuators need time scales of the order of hours to open and close. We have addressed the above limitations of passive louvers through the development of a low aerial density and rapidly actuating actively controlled louver. It is constructed from a custom alloy that offers much higher levels of protection against the ionizing radiation, dust and excessive heat loss at a fraction of weight compared to passive louvers while providing opening and closing time scales of the order of a second. Our modular design makes it easy to scale the system up or down depending on the application. We have recently constructed a 31 inch × 31 inch module of this louver and tested its functionality and effectiveness. These tests have shown that the louver can be opened and closed in less than 2 s. It reduces the transmission of ionizing radiation by 78% to 100% (depending on the radiation source), dust transmission by more than 93%, and heat loss by more than 97%. We are currently preparing to evaluate this device at the Johnson Space Center’s cryogenic vacuum chamber where it can be subjected to simulated lunar surface conditions. This paper provides a detailed discussion of the test designs as well as the data from tests that demonstrate the effectiveness in reducing the transmission of ionizing radiation, dust, and heat under laboratory conditions.

Radiator↗
DOE OSTI2021

AENET–LAMMPS and AENET–TINKER : Interfaces for accurate and efficient molecular dynamics simulations with machine learning potentials

Machine-learning potentials (MLPs) trained on data from quantum-mechanics based first-principles methods can approach the accuracy of the reference method at a fraction of the computational cost. To facilitate efficient MLP-based molecular dynamics and Monte Carlo simulations, an integration of the MLPs with sampling software is needed. Here, we develop two interfaces that link the atomic energy network (ænet) MLP package with the popular sampling packages TINKER and LAMMPS. The three packages, ænet, TINKER, and LAMMPS, are free and open-source software that enable, in combination, accurate simulations of large and complex systems with low computational cost that scales linearly with the number of atoms. Scaling tests show that the parallel efficiency of the ænet–TINKER interface is nearly optimal but is limited to shared-memory systems. The ænet–LAMMPS interface achieves excellent parallel efficiency on highly parallel distributed memory systems and benefits from the highly optimized neighbor list implemented in LAMMPS. We demonstrate the utility of the two MLP interfaces for two relevant example applications: the investigation of diffusion phenomena in liquid water and the equilibration of nanostructured amorphous battery materials.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2020

Optimization of Energy Flow through Synthetic Metabolic Modules and Regulatory Networks in a Model Photosynthetic Eukaryotic Microbe

Photosynthetic organisms have recently gained considerable attention for a role in development of renewable energy sources. Genome-enabled systems biology methods, coupled with functional and synthetic genomics, present opportunities to develop sustainable and economical applications such as fuel production within the next 10 to 15 years. However, optimization of light-driven metabolism for biomass or biofuel production will require a detailed systems biology understanding of photosynthetic processes and cellular metabolism. Genome-scale metabolic models (GEMs) are at the core of systems analysis of cellular processes and form a common organizational framework for analyses of data resulting from functional genomics experimental work and computational studies. Therefore, there is a clear demand for high quality photosynthetic model organisms and the appropriate computational tools that enable systems analysis of light-driven metabolism. Through research conducted we expanded the currently available repertoire of photosynthetic GEMs to include the commercially valuable model diatom Phaeoctylum tricornutum. Diatoms have a peculiar and distinct evolutionary footprint and represent a major eukaryotic lineage that is taxonomically and functionally distinct from green and red algae and vascular plants. Therefore, the true potential for light-driven metabolism aimed at biofuel production remains poorly understood at a systems level for a large subset of the global diversity of photosynthetic organisms. The metabolic capabilities of P. tricornutum were comparatively modeled with those from other photosynthetic groups in order to elucidate the occurrence of metabolic traits within and between phototrophs. Additionally, this research resulted in significant extension of the COnstraints Based Reconstruction and Analysis (COBRA) Toolbox to accommodate the crucial need for infrastructure required for ‘omics data integration and analysis in the context of genome-scale models. Therefore, the proposed research achieved two important goals. First, within the broad scope of photosynthetic organisms, we functionally compared and, as a result, identified cellular processes that require optimization in order to enable deployment as biofuel feedstock. Second, the proposed research resulted in development of key computational infrastructure, which can be further extended to other biological systems, that is currently lacking but necessary for multiple ‘omics data integration.

59 BASIC BIOLOGICAL SCIENCES↗
NASA NTRS2004

Formations of Tethered Spacecraft as Stable Platforms for Far IR and Sub-mm Astronomy

In this paper we describe current research in tethered formations for interferometry, and a roadmap to demonstrating the required key technologies via on-ground and in-orbit testing. We propose an integrated kilometer-size tethered spacecraft formation flying concept which enables Far IR and Sub-mm astronomy observations from space. A rather general model is used to predict the dynamics, control, and estimation performance of formations of spacecraft connected by tethers in LEO and deep space. These models include the orbital and tethered formation dynamics, environmental models, and models of the formation estimator/controller/commander. Both centralized and decentralized control/sensing/estimation schemes are possible, and dynamic ranges of interest for sensing/control are described. Key component/subsystem technologies are described which need both ground-based and in-orbit demonstration prior to their utilization in precision space interferometry missions using tethered formations. Defining an orbiting formation as an ensemble of orbiting spacecraft performing a cooperative task, recent work has demonstrated the validity of the tethering the spacecraft to provide both the required formation rigidity and satisfy the formation reconfiguration needs such as interferometer baseline control. In our concept, several vehicles are connected and move along the tether, so that to reposition them the connecting tether links must vary in length. This feature enables variable and precise baseline control while the system spins around the boresight. The control architecture features an interferometer configuration composed of one central combiner spacecraft and two aligned collector spacecraft. The combiner spacecraft acts as the formation leader and is also where the centralized sensing and estimation functions reside. Some of the issues analyzed with the model are: dynamic modes of deformation of the distributed structure, architecture of the formation sensor, and sources of dynamical perturbation that need to be mitigated for precision operation in space. Examples from numerical simulation of an envisioned scenario in heliocentric orbit demonstrate the potential of the concept for space interferometry.

Quadrelli, Marco B.↗
NASA NTRS2009

Internet Protocol Display Sharing Solution for Mission Control Center Video System

With the advent of broadcast television as a constant source of information throughout the NASA manned space flight Mission Control Center (MCC) at the Johnson Space Center (JSC), the current Video Transport System (VTS) characteristics provides the ability to visually enhance real-time applications as a broadcast channel that decision making flight controllers come to rely on, but can be difficult to maintain and costly. The Operations Technology Facility (OTF) of the Mission Operations Facility Division (MOFD) has been tasked to provide insight to new innovative technological solutions for the MCC environment focusing on alternative architectures for a VTS. New technology will be provided to enable sharing of all imagery from one specific computer display, better known as Display Sharing (DS), to other computer displays and display systems such as; large projector systems, flight control rooms, and back supporting rooms throughout the facilities and other offsite centers using IP networks. It has been stated that Internet Protocol (IP) applications are easily readied to substitute for the current visual architecture, but quality and speed may need to be forfeited for reducing cost and maintainability. Although the IP infrastructure can support many technologies, the simple task of sharing ones computer display can be rather clumsy and difficult to configure and manage to the many operators and products. The DS process shall invest in collectively automating the sharing of images while focusing on such characteristics as; managing bandwidth, encrypting security measures, synchronizing disconnections from loss of signal / loss of acquisitions, performance latency, and provide functions like, scalability, multi-sharing, ease of initial integration / sustained configuration, integration with video adjustments packages, collaborative tools, host / recipient controllability, and the utmost paramount priority, an enterprise solution that provides ownership to the whole process, while maintaining the integrity of the latest technological displayed image devices. This study will provide insights to the many possibilities that can be filtered down to a harmoniously responsive product that can be used in today's MCC environment.

Brown, Michael A.↗
NASA NTRS1968

Predicted vibration responses of Apollo structure and effects of pressure correlation lengths on response

Progressive wove and reverberant acoustic fields ore often used in the laboratory for qualification testing of aerospace structures that are subjected to unsteady aerodynamic environments which occur during flight through the atmosphere. Acoustic simulation of these in-flight environments i s achieved i f the structural vibration response to acoustic excitation is equivalent, over the frequency range of interest, to the response caused by aerodynamic turbulence. To determine the degree of response simulation that could be expected for such qualification testing of the Apollo Spacecraft, responses of a segment of the Apollo structure were estimated theoretically for both acoustic and flight environments. The vibration analysis presented in this report was performed for the Spacecraft Lunar Module Adaptor; and the three environments treated are turbulence at Mach 1 and Mach 2, a reverberant acoustic field, and a modified acoustic progressive wave field. The progressive wave field is assumed to be generated within a specially designed shroud of sixteen axially oriented ducts which is constructed around and contoured to the external skin of the vehicle. Each duct is open on the side adjacent to the skin and is driven acoustically at one end by an independent noise source, thus allowing for different pressure correlation patterns around the circumference of the vehicle. The purpose of the analysis was to determine the effects of surface pressure correlation lengths on the response characteristics of representative Apollo structure, and to select on this basis, the optimum acoustic environment for structural vibration qualification tests of the Apollo in the Spacecraft Acoustic Laboratory at MSC. The method of analysis employed consists of determining, independently, the space average, mean-square acceleration spectral density for each of the significant modes of vibration of an equivalent cylindrical shell, and then expressing the total structural response as a linear summation of these modal responses. Approximately 570 classical modes of a pinned-end cylinder were used in order to find the spectral response characteristics of the structure throughout the frequency range of 10 - 1,000 Hz. The effective forcing functions or joint acceptances of the various modes of vibration were computed and are presented graphically for each of the pressure excitation environments. A brief development of the response equations used is presented in the report. Space average acceleration response spectra were computed for twelve different cases including aerodynamic turbulence at Mach 1 and Mach 2, reverberant acoustic field, five duct correlation patterns, two cases of an axially damped progressive wave field, and two cases in which the structural damping constant was varied from the expected value. The response spectra were computed and plotted by a high speed digital computer far a flat excitation pressure spectrum; and the response spectra were numerically integrated to give one-third octave bond average responses. A complete set of digital computer programs has been developed for both flat plate and cylindrical shell structures for the above environments, and each requires run times of three minutes or less. Thus, the work presented herein, along with the results, constitutes a practical advancement to the existing state-of-the-art of vibration prediction.

R W White↗
DOE OSTI2018

Functional characterization of three GH10 xylanases

Decreased availability of fossil fuels has driven an increased demand for sustainable energy sources such as biofuels. One area of bioenergy research involves development of biocatalysts able to efficiently degrade biomass “waste”‐products, such as substrates derived from corn stover, rather than easily‐fermentable biomass used for food, such as starch from corn kernels. Xylanases are of interest for their ability to hydrolyze hemicellulosic sugars found in plant cell walls, allowing utilization of waste‐derived biomass. In this study, three xylanases of glycoside hydrolase family 10 (GH10) are functionally characterized and optimized for temperature and pH, as well as kinetically analyzed for xylose monomer and oligomer production. These enzymes, GH10‐4, GH10‐9, and GH10‐15, demonstrate activity upon substrates xylan and arabinoxylan. For GH10‐4, optima are 50°C at pH 8 on xylan and 45°C at pH 8 on arabinoxylan. For GH10‐9, optima are 70°C at pH 5 on xylan and 70°C at pH 5 on arabinoxylan. For GH10‐15, optima are 50°C at pH 8 on xylan and 45°C at pH 5 on arabinoxylan. Kinetic analysis reveals GH10‐4 produces xylose (X1), xylobiose (X2), xylotriose (X3), xylotetraose (X4), and xylopentaose (X5) from xylan, while GH10‐9 and GH10‐15 produce X1, X2, and X3. From arabinoxylan, GH10‐4 produces X1, X2, X3, X4, while GH10‐9 and GH10‐15 produce X1, X2, X3. Conclusive kinetic data may suggest applicability of these enzymes for industrial use within biocatalysts and contribute further insight to the functionality of enzymes within GH10. Support or Funding Information The authors are grateful for financial support by the Integrated Biological Sciences Summer Research Program (IBS‐SRP, NSF) at the University of Wisconsin‐Madison and the Great Lakes Bioenergy Research Center (GLBRC) of the U.S. Department of Energy. Presentation travel support is provided by the Ronald E. McNair Scholars Program of Winthrop University. The authors also thank Lai Bergeman, Craig Bingman, Bob Smith, Emily Beebe, Kirk Vander Meulen, Amber Smith, David Wassarman, and John Greenler for professional support.

Park, Jesslyn↗
DOE OSTI2024

Proton Quenching in Rare-Earth Inorganic Scintillators: GAGG:Ce and YSO:Ce

Scintillator detectors are an integral component of radiation detection systems for a variety of applications such as medical imaging, accelerator diagnostics, and space science. Typically, a scintillator detector’s response is characterized using gamma sources to understand the detection response to different types of radiation, including charged particle detection. However, there exists a nonlinearity of the amount of light produced from an incident gamma ray of specific energy and the light produced from an incident charged particle of the same energy. This important effect, known as quenching, must be accounted for to interpret energies from charged particles incident on detectors. In this article, we present results of quenching parameterization for two types of cerium-doped inorganic scintillators, Y2SiO5:Ce (YSO:Ce) and Gd3Al2Ga3O12:Ce (GAGG:Ce). We measured the light output from incident proton energies from 1 to 25 MeV using a 3-MV tandem accelerator and two reactions: Au(p,p)Au and 3He(d,p)⁴He. Using gamma-ray sources to calibrate the detectors, we compared the measured electron-equivalent energy versus the incident energy expected. Using an adaptation of the Birks semi-empirical formula, we extracted the Birks parameter (kB) to understand quenching. For one of the GAGG:Ce samples, the kB parameter of 0.0072 [g cm-2 MeV-1] is comparable to a similar study where the value of kB was 0.0065 [g cm-2 MeV-1]. For YSO:Ce, no other kB values were found in the literature. Three different types of GAGG:Ce were used to collect measurements of kB as a function of dopant concentration.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2025

Spatial Signatures of Electron Correlation in Least-Squares Tensor Hypercontraction

Least Squares Tensor Hypercontraction (LS-THC) has received some attention in recent years as an approach to reduce the significant computational costs of wavefunc- tion based methods in quantum chemistry. However, previous work has demonstrated that the LS-THC factorization performs disproportionately worse in the description of wavefunction components (e.g. cluster amplitudes T 2 ) than Hamiltonian compo- nents (e.g. electron repulsion integrals (pq|rs)). This work develops novel theoretical methods to study the source of these errors in the context of the real-space T 2 kernel, and reports, for the first time, the existence of a “correlation feature” in the errors of the LS-THC representation of the “exchange-like” correlation energy EX and T 2 that is remarkably consistent across ten molecular species, three correlated wavefunctions, and four basis sets. This correlation feature portends the existence of a “pair-point kernel” missing in the usual LS-THC representation of the wavefunction, which critically depends upon pairs of grid points situated close to atoms and with inter-pair distances between one and two Bohr radii. These findings point the way for future LS-THC developments to address these shortcomings.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2026

Reconstruction and Dissolution of Copper Catalysts during Electrocatalytic Nitrate Reduction

Copper-based electrocatalysts are widely explored for electrochemical nitrate remediation, yet their stability under operating conditions remains poorly understood. While nanoscale and subnanoscale Cu motifs are known to restructure during the nitrate reduction reaction (NO 3 RR), how these transformations translate into irreversible material loss remains unclear. Here, we quantify Cu dissolution during NO 3 RR as a function of catalyst architecture and electrolyte chemistry using two model systems: single-atom Cu (Cu 1 ) and Cu nanoparticles (Cu NP ). Time-resolved leaching measurements, integrated with in situ X-ray absorption spectroscopy (XAS), reveal measurable Cu loss for both catalysts during NO 3 RR. Dissolution is concentrated at the initiation of electrolysis, coinciding with rapid restructuring, and depends strongly on morphology, with Cu NP consistently exhibiting greater Cu loss than Cu 1 . In situ XAS reveals that Cu 1 forms transient metallic clusters under reduction that largely redisperse upon returning to open-circuit voltage, whereas Cu NP undergoes reduction of an oxidized surface layer accompanied by sustained Cu loss during electrolysis. Notably, the presence of nitrate significantly intensifies restructuring and Cu loss, highlighting the critical role of electrolyte composition. Furthermore, these findings establish a direct link between electrochemical restructuring and Cu dissolution, unveiling electrolyte-dependent interactions as key determinants of catalyst durability in electrochemical nitrate conversion.

36 MATERIALS SCIENCE↗
DOE OSTI2020

MoorDyn V2: New Capabilities in Mooring System Components and Load Cases

MoorDyn, an open-source mooring dynamics model, is being expanded with capabilities for additional mooring system features and load cases. As floating wind turbine technology matures, mooring systems are becoming more sophisticated and more complex scenarios need to be considered in the design process. Mooring systems may have synthetic line materials, ballast/buoyancy bodies along the lines, or interconnections between platforms. Failure modes may involve multiple cascading line failures that depend on mooring system dynamics. Features recently added to MoorDyn aim to address these emerging needs. MoorDyn’s linear elasticity model has been supplemented to support user-defined stress-strain curves, which can be adjusted to represent synthetic mooring materials. Rigid six-degree-of-freedom bodies in the mooring system can now be modeled using two new model objects. “Rod” objects provide an option for rigid cylindrical bodies. They use the existing Morison equation-based hydrodynamics model and can be connected to mooring lines at either end. “Body” objects provide a generic six-degree-of-freedom rigid-body representation based on a lumped-parameter model of translational and rotational properties. Rod objects can be added to Body objects and mooring lines can be attached at any location, allowing a wide variety of submerged structures to be integrated into the mooring system. Lastly, a means of dynamically simulating mooring line failures has been implemented. These new features, currently in the C++ version of MoorDyn, are described and then demonstrated on a two-turbine shared-mooring array. A qualitative view of the results suggests the new features are functioning as expected.

49 EE - Wind and Water Power Program - Wind (EE-4W↗