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NASA NTRS2000

An Indirect Mixed-Sensitivity Approach to Microgravity Vibration Isolation: The Exploitation of Kinematic Coupling In Frequency-Weighting Design-Filter Selections

Many space science experiments need an active isolation system to provide them with the requisite microgravity environment. The isolation systems planned for use with the International Space Station have been appropriately modeled using relative position, relative velocity, and acceleration states. In theory, frequency design filters can be applied to these state-space models, in order to develop optimal H, or mixed-norm controllers with desired stability- and performance characteristics. In practice. however, the kinematic coupling among the various states can lead, through the associated frequency-weighting-filters, to conflicting demands on the Riccati design "machinery." The results can be numerically ill-conditioned regulator and estimator Riccati equations and/or reduced intuition in the design process. In addition, kinematic coupling can result in a redundancy in the demands imposed by the frequency weights. Failure properly to account for this type of coupling can lead to an unnecessary increase in controller dimensionality and, in turn, controller complexity. This paper suggests a rational approach to the assignment of frequency weighting design filters, in the presence of the kinematic coupling among states that exists in the microgravity vibration isolation problem.

Hampton, R. David↗

DOE OSTI2011

FINAL TECHNICAL REPORT

NIST has played a key role in many of the one-on-one, domestic, and international interlaboratory comparisons of measurements on superconductors. The history of interlaboratory comparisons of measurements on superconductors tells us that careful measurement methods are needed to obtain consistent results. Inconsistent results can lead to many problems including: a mistrust of the results of others, unfair advantages in commerce, and erroneous feedback in the optimization of conductor performance. NIST has experience in many interlaboratory comparisons; a long-term commitment to measurement accuracy; and independent, third-party laboratory status. The principal investigator's direct involvement in the measurements and daily supervision of sample mounting is the unique situation that has allowed important discoveries and evolution of our capabilities over the last 30 years. The principal investigator's research and metrology has helped to improve the accuracy of critical-current (I{sub c}) measurements in laboratories throughout the world. As conductors continue to improve and design limits are tested, the continuation of the long-term commitment to measurement accuracy could be vitally important to the success of new conductor development programs. It is extremely important to the U.S. wire manufacturers to get accurate (high certainty) I{sub c} measurements in order to optimize conductor performance. The optimization requires the adjustment of several fabrication parameters (such as reaction time, reaction temperature, conductor design, doping, diffusion barrier, Cu to non-Cu ratio, and twist pitch) based on the I{sub c} measurement of the conductor. If the I{sub c} measurements are made with high variability, it may be unclear whether or not the parameters are being adjusted in the optimal direction or whether or not the conductor meets the target specification. Our metrology is vital to the U.S. wire manufacturers in the highly competitive international arena and to meet the aggressive performance goals. The latest high-performance Nb{sub 3}Sn wires are being designed with higher current densities, larger effective filament diameter, less Cu stabilizer, and, in some cases, larger wire diameters than ever before. In addition, some of the conductor designs and heat treatments cause the residual resistivity ratio (RRR, ratio of room temperature resistivity to the resistivity at 20 K) of the stabilizer to be less than 20. These parameters are pushing the conductors towards less intrinsic stability, into a region we call marginally stable. These parameters also create a whole series of challenges for routine I{sub c} testing on short-samples, even when tested with the sample immersed in liquid helium. High-current, variable-temperature I{sub c} measurements are even more difficult than those made in liquid helium because the sample is only cooled by flowing helium gas. Providing accurate I{sub c} results under these conditions requires a complex system that provide adequate cooling as well as uniform sample temperature. We have been make variable-temperature measurements for about 15 years, but we started to design the first high-current (at least 500 A), variable-temperature, variable-strain apparatus in late 2006. Our first critical-current measurements as a function of strain, temperature, and magnetic field, I{sub c}(B,T,{var_epsilon}), in a new single, unified apparatus (full matrix characterization) were made in the summer of 2008. This is the only such facility in the U.S. and it has some unique components that are not duplicated anywhere in the world. The compounding of all three variables (H, T, {var_epsilon}) makes an already labor and time intensive characterization very formidable; however, the results cannot be generated any other way and are needed to answer key questions about strain and temperature safety margins and about the reliability of using scaling laws based on small data sets to predict performance. In the future, this new apparatus will allow NIST to create a database on strands that would benefit U.S. superconductor wire manufacturers, national research laboratories, and programs using superconductor strands such as HEP and International Thermonuclear Experimental Reactor (ITER).

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

DOE OSTI2026

DTLMod: A simulation framework for in situ workflow optimization

In situ processing workflows have become essential for coping with the explosion in data volume and velocity in large-scale scientific computing, providing domain scientists with early insights at runtime. Multiple frameworks implement this paradigm through a data transport layer (DTL), offering different data access modes and deployment schemes, but researchers currently lack the appropriate tools to assess design and deployment options before committing to costly real experiments. We introduce DTLMod, an open-source simulated DTL that enables performance evaluation of in situ workflow configurations at scale. Built on SimGrid, it links into any SimGrid-based simulator and is available in C++ and Python. We evaluate DTLMod along four axes: scalability (tens of thousands of simulated processes across interconnected clusters in seconds, with linear memory scaling), versatility (three implementation variants trading fidelity for speed), accuracy (simulated times faithfully reflecting real behavior), and practical utility (two use cases demonstrating evidence-based workflow design decisions).

Suter, Fred [ORNL] (ORCID:0000000319021955)↗

DOE OSTI2025

Exploring scenarios for enhanced fuel compression and performance on the National Ignition Facility with machine-learning-aided design techniques

Recent fusion experiments on the National Ignition Facility (NIF) have achieved ignition, producing multi-MJ fusion yields for input laser energies of roughly 2 MJ [Abu-Shawareb et al., Phys. Rev. Lett. 132, 065102 (2024)]. Building on the success of the target designs that have achieved ignition, we explore new implosion scenarios predicted to generate significantly more compression of the dense DT ice layer and correspondingly higher yields while preserving many of the key physics characteristics of present-day ignition designs. Our main result is a novel 3-shock implosion scheme that effectively minimizes the shock-induced entropy in the dense, accelerating DT shell and maximizes the resulting fuel compression subject to a fixed leading shock strength consistent with present-day ignition experiments, which is necessary to melt the crystalline high-density carbon ablator. Compared to the first NIF experiment to fulfill Lawson's ignition criterion, shot N210808 [Abu-Shawareb et al., Phys. Rev. Lett. 129, 075001 (2022)], our design exhibits a 40% increase in simulated peak areal density (ρR) and a 5× increase in 1D fusion yield using a 4% lighter ablator and identical DT payloads. We also present a complete integrated 2D hohlraum design and laser pulse specifications capable of generating the desired 3-shock drive and maintaining control of the low-mode capsule implosion symmetry, where the increase in simulated 2D yield relative to N210808 is > 10×. This new implosion regime was discovered with help from a machine-learning-enabled capsule design optimization framework. We outline the workflow this automated tool uses to identify improved design candidates by running several rounds of capsule simulations, constructing a surrogate model mapping input variations to key physics output quantities, and querying the resulting statistical model to propose adjustments to the x-ray drive and capsule to reach a set of physics objectives prescribed by the designer.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2014

SU-E-I-43: Pediatric CT Dose and Image Quality Optimization

Purpose: To design an approach to optimize radiation dose and image quality for pediatric CT imaging, and to evaluate expected performance. Methods: A methodology was designed to quantify relative image quality as a function of CT image acquisition parameters. Image contrast and image noise were used to indicate expected conspicuity of objects, and a wide-cone system was used to minimize scan time for motion avoidance. A decision framework was designed to select acquisition parameters as a weighted combination of image quality and dose. Phantom tests were used to acquire images at multiple techniques to demonstrate expected contrast, noise and dose. Anthropomorphic phantoms with contrast inserts were imaged on a 160mm CT system with tube voltage capabilities as low as 70kVp. Previously acquired clinical images were used in conjunction with simulation tools to emulate images at different tube voltages and currents to assess human observer preferences. Results: Examination of image contrast, noise, dose and tube/generator capabilities indicates a clinical task and object-size dependent optimization. Phantom experiments confirm that system modeling can be used to achieve the desired image quality and noise performance. Observer studies indicate that clinical utilization of this optimization requires a modified approach to achieve the desired performance. Conclusion: This work indicates the potential to optimize radiation dose and image quality for pediatric CT imaging. In addition, the methodology can be used in an automated parameter selection feature that can suggest techniques given a limited number of user inputs. G Stevens and R Singh are employees of GE Healthcare.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

NASA NTRS2014

Extravehicular Activity Asteroid Exploration and Sample Collection Capability

One of the challenging primary objectives associated with NASA's Asteroid Redirect Crewed Mission (ARCM) is to demonstrate deep space Extravehicular Activity (EVA) and tools and to obtain asteroid samples to return to Earth for further study. Prior Shuttle and International Space Station (ISS) spacewalks have benefited from engineered EVA interfaces which have been designed and manufactured on Earth. Rigid structurally mounted handrails, and tools with customized interfaces and restraints optimize EVA performance. For ARCM, EVA complexity increases due to the uncertainty of the asteroid properties. The variability of rock size, shape and composition, as well as behavior of the asteroid capture mechanism will complicate EVA translation, tool restraint, and body stabilization. The unknown asteroid hardness and brittleness will complicate tool use. The rock surface will introduce added safety concerns for cut gloves and debris control. Feasible solutions to meet ARCM EVA objectives were identified using experience gained during Apollo, Shuttle, and ISS EVAs, terrestrial mountaineering practices, NASA Extreme Environment Mission Operations (NEEMO) 16 mission, and during Neutral Buoyancy Laboratory testing in the Modified Advanced Crew Escape Suit (MACES) suit. This paper will summarize the overall operational concepts for conducting EVAs for the ARCM mission including translation paths and body restraint methods, potential tools used to extract the samples, design implications for the Asteroid Redirect Vehicle (ARV) for EVA, and the results of early development testing of potential EVA tasks.

Sipila, Stephanie A.↗

NASA NTRS2014

Extravehicular Activity Asteroid Exploration and Sample Collection Capability

Sipila, Stephanie A.↗

DOE OSTI2018

Accelerated Discovery of Large Electrostrains in BaTiO 3 ‐Based Piezoelectrics Using Active Learning

Abstract A key challenge in guiding experiments toward materials with desired properties is to effectively navigate the vast search space comprising the chemistry and structure of allowed compounds. Here, it is shown how the use of machine learning coupled to optimization methods can accelerate the discovery of new Pb‐free BaTiO 3 (BTO‐) based piezoelectrics with large electrostrains. By experimentally comparing several design strategies, it is shown that the approach balancing the trade‐off between exploration (using uncertainties) and exploitation (using only model predictions) gives the optimal criterion leading to the synthesis of the piezoelectric (Ba 0.84 Ca 0.16 )(Ti 0.90 Zr 0.07 Sn 0.03 )O 3 with the largest electrostrain of 0.23% in the BTO family. Using Landau theory and insights from density functional theory, it is uncovered that the observed large electrostrain is due to the presence of Sn, which allows for the ease of switching of tetragonal domains under an electric field.

Yuan, Ruihao↗

DOE OSTI2021

Evaluating Gaussian process metamodels and sequential designs for noisy level set estimation

Abstract We consider the problem of learning the level set for which a noisy black-box function exceeds a given threshold. To efficiently reconstruct the level set, we investigate Gaussian process (GP) metamodels. Our focus is on strongly stochastic simulators, in particular with heavy-tailed simulation noise and low signal-to-noise ratio. To guard against noise misspecification, we assess the performance of three variants: (i) GPs with Student- t observations; (ii) Student- t processes (TPs); and (iii) classification GPs modeling the sign of the response. In conjunction with these metamodels, we analyze several acquisition functions for guiding the sequential experimental designs, extending existing stepwise uncertainty reduction criteria to the stochastic contour-finding context. This also motivates our development of (approximate) updating formulas to efficiently compute such acquisition functions. Our schemes are benchmarked by using a variety of synthetic experiments in 1–6 dimensions. We also consider an application of level set estimation for determining the optimal exercise policy of Bermudan options in finance.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2011

A shock tube with a high-repetition-rate time-of-flight mass spectrometer for investigations of complex reaction systems

A conventional membrane-type stainless steel shock tube has been coupled to a high-repetition-rate time-of-flight mass spectrometer (HRR-TOF-MS) to be used to study complex reaction systems such as the formation of pollutants in combustion processes or formation of nanoparticles from metal containing organic compounds. Opposed to other TOF-MS shock tubes, our instrument is equipped with a modular sampling unit that allows to sample with or without a skimmer. The skimmer unit can be mounted or removed in less than 10 min. Thus, it is possible to adjust the sampling procedure, namely, the mass flux into the ionization chamber of the HRR-TOF-MS, to the experimental situation imposed by species-specific ionization cross sections and vapor pressures. The whole sampling section was optimized with respect to a minimal distance between the nozzle tip inside the shock tube and the ion source inside the TOF-MS. The design of the apparatus is presented and the influence of the skimmer on the measured spectra is demonstrated by comparing data from both operation modes for conditions typical for chemical kinetics experiments. The well-studied thermal decomposition of acetylene has been used as a test system to validate the new setup against kinetics mechanisms reported in literature.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2015

ISPyB for BioSAXS, the gateway to user autonomy in solution scattering experiments

The ISPyB information-management system for crystallography has been adapted to include data from small-angle X-ray scattering of macromolecules in solution experiments. Logging experiments with the laboratory-information management system ISPyB (Information System for Protein crystallography Beamlines) enhances the automation of small-angle X-ray scattering of biological macromolecules in solution (BioSAXS) experiments. The ISPyB interface provides immediate user-oriented online feedback and enables data cross-checking and downstream analysis. To optimize data quality and completeness, ISPyBB (ISPyB for BioSAXS) makes it simple for users to compare the results from new measurements with previous acquisitions from the same day or earlier experiments in order to maximize the ability to collect all data required in a single synchrotron visit. The graphical user interface (GUI) of ISPyBB has been designed to guide users in the preparation of an experiment. The input of sample information and the ability to outline the experimental aims in advance provides feedback on the number of measurements required, calculation of expected sample volumes and time needed to collect the data: all of this information aids the users to better prepare for their trip to the synchrotron. A prototype version of the ISPyBB database is now available at the European Synchrotron Radiation Facility (ESRF) beamline BM29 and is already greatly appreciated by academic users and industrial clients. It will soon be available at the PETRA III beamline P12 and the Diamond Light Source beamlines I22 and B21.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

DOE OSTI2022

Ultrafast Error-bounded Lossy Compression for Scientific Datasets

Today's scientific high-performance computing applications and advanced instruments are producing vast volumes of data across a wide range of domains, which impose a serious burden on data transfer and storage. Error-bounded lossy compression has been developed and widely used in the scientific community because it not only can significantly reduce the data volumes but also can strictly control the data distortion based on the user-specified error bound. Existing lossy compressors, however, cannot offer ultrafast compression speed, which is highly demanded by numerous applications or use cases (such as in-memory compression and online instrument data compression). In this paper, we propose a novel ultrafast error-bounded lossy compressor that can obtain fairly high compression performance on both CPUs and GPUs and with reasonably high compression ratios. The key contributions are threefold. (1) We propose a generic error-bounded lossy compression framework---called SZx---that achieves ultrafast performance through its novel design comprising only lightweight operations such as bitwise and addition/subtraction operations, while still keeping a high compression ratio. (2) We implement SZx on both CPUs and GPUs and optimize the performance according to their architectures. (3) We perform a comprehensive evaluation with six real-world production-level scientific datasets on both CPUs and GPUs. Experiments show that SZx is 2~16x faster than the second-fastest existing error-bounded lossy compressor (either SZ or ZFP) on CPUs and GPUs, with respect to both compression and decompression.

Yu, Xiaodong↗

DOE OSTI2024

Binder-Coated Carbon Cloth Electrodes for All-Vanadium Redox Flow Batteries

Vanadium redox flow batteries (VRFBs) are a promising solution for integrating intermittent renewable energy sources into the existing power grid. However, enhancing the electrochemical performance of VRFBs is critical for their widespread adoption in grid-scale energy storage. This study investigates the impact of adding a porous binder to a carbon-cloth electrode, with a focus on optimizing thermal activation conditions. The electrochemical performance of the binder-coated electrodes compared to uncoated electrodes is evaluated through electrochemical impedance spectroscopy, polarization curve measurements, and charge-discharge cycling. The surface morphology and structural integrity of the binder-coated electrodes at each activation stage are examined using various material characterization techniques to assess the effects of thermal activation. The results are benchmarked against the experiments using non-coated electrodes to determine the performance improvements offered by the binder coating. Notably, the study reveals that binder-coated electrodes exhibit significantly lower resistance and improved efficiency compared to their uncoated counterparts, with optimal activation conditions enhancing performance metrics crucial for VRFB applications. These findings provide valuable insights for further optimizing electrode design and activation strategies, advancing the development of more efficient VRFB systems for large-scale energy storage.

Caiado, Ashley A.↗

DOE OSTI2023

Leveraging Application Data Constraints to Optimize Database-Backed Web Applications

Exploiting the relationships among data is a classical query optimization technique. As persistent data is increasingly being created and maintained programmatically, prior work that infers data relationships from data statistics misses an important opportunity. We present Coco, the first tool that identifies data relationships by analyzing database-backed applications. Once identified, Coco leverages the constraints to optimize the application's physical design and query execution. Instead of developing a fixed set of predefined rewriting rules, Coco employs an enumerate-test-verify technique to automatically exploit the discovered data constraints to improve query execution. Each resulting rewrite is provably equivalent to the original query. Using 14 real-world web applications, our experiments show that Coco can discover numerous data constraints from code analysis and improve real-world application performance significantly.

Computer Science↗

DOE OSTI2013

Experimental and Numerical Studies on the Proposed Application of Hollow Electron Beam Collimation for the LHC at CERN

This thesis work was carried out in the framework of the U.S. LHC Accelerator Research Program (USLARP), a collaboration between the European Organization for Nuclear Research (CERN) and the U.S. Department of Energy. The first half of the work was completed at Fermilab (USA), the location of the Tevatron, a proton-antiproton collider and the second largest particle collider in the world. The second half was completed at CERN (Switzerland), the location of the largest proton collider in the world (Large Hadron Collider (LHC)). This thesis characterizes a Hollow Electron Beam (HEB) for possible usage at the LHC to enhance its collimation through Hollow Electron Beam Lenses (HEBLs). Collimation is a long established principle in high energy particle accelerators. Hollow Electron Beam Collimation (HEBC) aims to enhance current collimation systems by controlling diffusion of primary halo particles into the limiting aperture. It works on the principle of a transverse radial electric field that kicks the primary halo particles outwards upon each pass in a multi-pass system. The transverse field is produced by a HEB that is coaxially aligned with the accelerator beam, producing a negligible electric field in the center and a strong transverse electric field at amplitudes higher than the inner radius of the electron beam. Ideally, halo particles are affected without perturbation of the beam core. One of the main advantages of this system is to decrease the dependence on instantaneous loss spikes and beam jitter. A solid experimental basis of HEBC was accumulated at the Tevatron. The application of this technique at the LHC is now under investigation. The aim of this thesis is to present a preliminary report to support a future optimal conceptual design report. It characterizes the available hardware in order to facilitate the design of a Hollow Electron Gun (HEG) for the LHC, characterizes the effect on beam diffusion by determining the transverse electric fields of the electron beam and initiates 3D simulations in order to determine the effect of the HEBL on the beam core. Experiments were conducted in the Tevatron Electron Lens Test Stand (TELTS) at Fermi National Accelerator Lab (Fermilab) (USA) in the lower Linear Accelerator (LINAC) gallery.

43 PARTICLE ACCELERATORS↗

NASA NTRS1992

An integrated modeling and design tool for advanced optical spacecraft

Consideration is given to the design and status of the Integrated Modeling of Optical Systems (IMOS) tool and to critical design issues. A multidisciplinary spacecraft design and analysis tool with support for structural dynamics, controls, thermal analysis, and optics, IMOS provides rapid and accurate end-to-end performance analysis, simulations, and optimization of advanced space-based optical systems. The requirements for IMOS-supported numerical arrays, user defined data structures, and a hierarchical data base are outlined, and initial experience with the tool is summarized. A simulation of a flexible telescope illustrates the integrated nature of the tools.

Briggs, Hugh C.↗

NASA NTRS1995

Risks and reliability of manufacturing processes as related to composite materials for spacecraft structures

Fabricating primary aircraft and spacecraft structures using advanced composite materials entail both benefits and risks. The benefits come from much improved strength-to-weight ratios and stiffness-to-weight ratios, potential for less part count, ability to tailor properties, chemical and solvent resistance, and superior thermal properties. On the other hand, the risks involved include high material costs, lack of processing experience, expensive labor, poor reproducibility, high toxicity for some composites, and a variety of space induced risks. The purpose of this project is to generate a manufacturing database for a selected number of materials with potential for space applications, and to rely on this database to develop quantitative approaches to screen candidate materials and processes for space applications on the basis of their manufacturing risks including costs. So far, the following materials have been included in the database: epoxies, polycyanates, bismalemides, PMR-15, polyphenylene sulfides, polyetherimides, polyetheretherketone, and aluminum lithium. The first four materials are thermoset composites; the next three are thermoplastic composites, and the last one is is a metal. The emphasis of this database is on factors affecting manufacturing such as cost of raw material, handling aspects which include working life and shelf life of resins, process temperature, chemical/solvent resistance, moisture resistance, damage tolerance, toxicity, outgassing, thermal cycling, and void content, nature or type of process, associate tooling, and in-process quality assurance. Based on industry experience and published literature, a relative ranking was established for each of the factors affecting manufacturing as listed above. Potential applications of this database include the determination of a delta cost factor for specific structures with a given process plan and a general methodology to screen materials and processes for incorporation into the current conceptual design optimization of future spacecrafts as being coordinated by the Vehicle Analysis Branch where this research is being conducted.

Bao, Han P.↗

NASA NTRS1999

Protein crystal growth and the International Space Station

Protein structural information plays a key role in understanding biological structure-function relationships and in the development of new pharmaceuticals for both chronic and infectious diseases. The Center for Macromolecular Crystallography (CMC) has devoted considerable effort studying the fundamental processes involved in macromolecular crystal growth both in a 1-g and microgravity environment. Results from experiments performed on more than 35 U.S. space shuttle flights have clearly indicated that microgravity can provide a beneficial environment for macromolecular crystal growth. This research has led to the development of a new generation of pharmaceuticals that are currently in preclinical or clinical trials for diseases such as cutaneous T-cell lymphoma, psoriasis, rheumatoid arthritis, AIDS, influenza, stroke and other cardiovascular complications. The International Space Station (ISS) provides an opportunity to have complete crystallographic capability on orbit, which was previously not possible with the space shuttle orbiter. As envisioned, the x-ray Crystallography Facility (XCF) will be a complete facility for growing protein crystals; selecting, harvesting, and mounting sample crystals for x-ray diffraction; cryo-freezing mounted crystals if necessary; performing x-ray diffraction studies; and downlinking the data for use by crystallographers on the ground. Other advantages of such a facility include crystal characterization so that iterations in the crystal growth conditions can be made, thereby optimizing the final crystals produced in a three month interval on the ISS.

STS Shuttle Project↗