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DOE OSTI2024

Co-Active Subspace Methods for the Joint Analysis of Adjacent Computer Models

Active subspace (AS) methods are a valuable tool for understanding the relationship between the inputs and outputs of a Physics simulation. In this article, an elegant generalization of the traditional ASM is developed to assess the co-activity of two computer models. This generalization, which we refer to as a Co-Active Subspace (Co-AS) Method, allows for the joint analysis of two or more computer models allowing for thorough exploration of the alignment (or non-alignment) of the respective gradient spaces. We define co-active directions, co-sensitivity indices, and a scalar “concordance” metric (and complementary “discordance” pseudo-metric) and we demonstrate that these are powerful tools for understanding the behavior of a class of computer models, especially when used to supplement traditional AS analysis. Details for efficient estimation of the Co-AS and an accompanying R package (concordance) are provided. Practical application is demonstrated through analyzing a set of simulated rate stick experiments for PBX 9501, a high explosive, offering insights into complex model dynamics.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2024

Distributed Magnetic Field and Temperature Monitoring for Superconducting Radio Frequency Cavities

The overall objective of the proposed Phase I program was to design, construct and demonstrate a fiber optic sensing system capable of providing temperature and magnetic field measurements with an enhanced spatial resolution that can be implemented over a large surface area (cryomodules) to survey superconducting radio frequency cavities and magnets. A magnetic field sensor capable of detecting fluxes on the order of 1 μT is required to detect the distribution of trapped flux on the cavity surface. A unique distributed magnetic field sensor was successfully designed and constructed to demonstrate the detection of magnetic fluxes less than 500 nT. The sensor leveraged the ultra-high sensitivity of Sentek’s picoDAS to measure the magnetostriction induced vibrations in a commercially available Metglas 2605 SC ribbon that was in physical contact with sensing fiber. Static magnetic fields were detected by applying an alternating current a copper wire proximate to the Metglas 2605SC ribbon to create an AC bias magnetic field. In an alternative approach, an AC bias magnetic field was applied to a special magnetic field sensing fiber with Metglas 2605SC cladding successfully detect a magnetic field flux of a 3 μT. Exhaustive testing was performed to characterize the dependency of sensor response on the direction of the applied magnetic field. Although the special sensing fiber based magnetic field sensor did not exhibit an observable dependence on the direction of the magnetic field, the Metglas 2605SC ribbon sensor exhibited a clear directional dependence. A wide variety of polymer materials were evaluated to enhance the temperature response of an FBG based sensor at cryogenic temperatures. The processing and performance challenges provided the motivation to develop a new simple cryogenic temperature sensor that uses a commercially available fiber optic splice protector. The EVA hot melt tube that becomes adhered to the optical fiber and the polyolefin outer tube that shrinks upon heating in the fusion splicer heater provide the high thermal expansion coefficient necessary to impart a significant strain on the FBG when exposed to cryogenic temperatures. The temperature sensitivity (Δ𝜆𝐵𝑟𝑎𝑔𝑔~ 62 𝑝𝑝𝑚/℃) of the FBG-based sensor was on par with the best reported to date. The simple design, use of readily available cost-effective materials, and well-established processing techniques lends this approach to the creation of hundreds to thousands of temperature sensors on one single optical fiber length. The inherently small form factor also allows for co-location with the distributed magnetic field sensor. In preparation for field testing of the prototype sensing system at the Jefferson Labs in potential Phase II program, several different cable designs were evaluated to package the sensors. The preliminary successful demonstration of fully functional sensing cables provides the foundation for subsequent development efforts to advance the Technology Readiness Level of the technology. The technical feasibility of the proposed approach was successfully demonstrated in this Phase I effort.

43 PARTICLE ACCELERATORS↗

DOE OSTI2021

A unifying modeling abstraction for infinite-dimensional optimization

Infinite-dimensional optimization (InfiniteOpt) problems involve modeling components (variables, objectives, and constraints) that are functions defined over infinite-dimensional domains. Examples include continuous-time dynamic optimization (time is an infinite domain and components are functions of time), PDE optimization problems (space and time are infinite domains and components are functions of space-time), as well as stochastic and semi-infinite optimization (random space is an infinite domain and components are a function of such random space). InfiniteOpt problems also arise from combinations of these problem classes (e.g., stochastic PDE optimization). Given the infinite-dimensional nature of objectives and constraints, one often needs to define appropriate quantities (measures) to properly pose the problem. Moreover, InfiniteOpt problems often need to be transformed into a finite dimensional representation so that they can be solved numerically. Here in this work, we present a unifying abstraction that facilitates the modeling, analysis, and solution of InfiniteOpt problems. The proposed abstraction enables a general treatment of infinite-dimensional domains and provides a measure-centric paradigm to handle associated variables, objectives, and constraints. This abstraction allows us to transfer techniques across disciplines and with this identify new, interesting, and useful modeling paradigms (e.g., event constraints and risk measures defined over time domains). Our abstraction serves as the backbone of an intuitive Julia-based modeling package that we call InfiniteOpt.jl. We demonstrate the developments using diverse case studies arising in engineering.

42 ENGINEERING↗

DOE OSTI2022

Fourier-based methods for removing mesh anomalies from angle resolved photoemission spectra

Recent improvements to spatial resolution in angle-resolved photo-emission spectroscopy (ARPES) have made it common to perform measurements with a very brief dwell time, for the purpose of mapping the spectral function over large surface regions. However, rapid measurement modalities can suffer a grid-like intensity modulation due to a wire mesh that is typically placed in front of the ARPES detector to block stray electrons. Here, we explore Fourier-based methods that can effectively remove this artifact, and improve the quality of ARPES images obtained in rapid scanning modes. In conclusion, an open source software package is provided containing implementations of demonstrated algorithms.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

DOE OSTI2022

Subcutaneous power supply by NIR-II light

Implantable medical devices are wished to be recharged via contactless power transfer technologies without interventional operations. Superior to subcutaneous power supply by visible light or electromagnetic wave, second near-infrared (NIR-II) light is predicted to possess 60 times subcutaneous power transmission but hard to be utilized. Here we report a photo-thermal-electric converter via the combination of photothermal conversion and thermoelectric conversion. It is able to generate an output power as high as 195 mW under the coverage of excised tissues, presenting advantages of non-invasion, high output power, negligible biological damage, and deep tissue penetration. As an in vivo demonstration, the output power of a packaged converter in the abdominal cavity of a rabbit reaches 20 mW under NIR-II light irradiation through the rabbit skin with a thickness of 8.5 mm. This value is high enough to recharge an implanted high-power-consumption wireless camera and transfer video signal out of body in real-time.

60 APPLIED LIFE SCIENCES↗

DOE OSTI2024

rNets: a standalone package to visualize reaction networks

In the study of chemical processes, visualizing reaction networks is pivotal for identifying crucial compounds and transformations. Traditional methods, such as network schematics and reaction path linear plots, often struggle to effectively represent complex reaction networks due to their size and intricate connectivity. Alternatives capable of leading with complexity include graph methods, but they are not user-friendly, lacking simplicity and modularity, which hinders their integration with widely-used research software. This work introduces rNets an innovative tool designed for the efficient visualization of reaction networks with a user-friendly interface, modularity, and seamless integration with existing software packages. The effectiveness of rNets is demonstrated through its application in analyzing three catalytic reactions, showcasing its potential to significantly enhance research both in homogeneous and heterogeneous catalysis fields. This tool not only simplifies the visualization process but also opens new avenues for exploring complex reaction networks in diverse research contexts.

Pablo-García, Sergio↗

DOE OSTI2021

Demonstration of TNSA proton radiography on the National Ignition Facility Advanced Radiographic Capability (NIF-ARC) Laser

We report that proton radiography using short-pulse laser drivers is an important tool in high-energy density (HED) science for dynamically diagnosing key characteristics in plasma interactions. Here we detail the first demonstration of target-normal sheath acceleration (TNSA)-based proton radiography the NIF-ARC laser system aided by the use of compound parabolic concentrators (CPCs). The multi-kJ energies available at the NIF-ARC laser allows for a high-brightness proton source for radiography and thus enabling a wide range of applications in HED science. In this demonstration, proton radiography of a physics package was performed and this work details the spectral properties of the TNSA proton probe as well as description of the resulting radiography quality.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2024

Efficient end-to-end simulation of time-dependent coherent X-ray scattering experiments

Physical optics simulations for beamlines and experiments allow users to test experiment feasibility and optimize beamline settings ahead of beam time in order to optimize valuable beam time at synchrotron light sources like NSLS-II. Further, such simulations also help to develop and test experimental data processing methods and software in advance. The Synchrotron Radiation Workshop ( SRW ) software package supports such complex simulations. We demonstrate how recent developments in SRW significantly improve the efficiency of physical optics simulations, such as end-to-end simulations of time-dependent X-ray photon correlation spectroscopy experiments with partially coherent undulator radiation (UR). The molecular dynamics simulation code LAMMPS was chosen to model the sample: a solution of silica nanoparticles in water at room temperature. Real-space distributions of nanoparticles produced by LAMMPS were imported into SRW and used to simulate scattering patterns of partially coherent hard X-ray UR from such a sample at the detector. The partially coherent UR illuminating the sample can be represented by a set of orthogonal coherent modes obtained by simulation of emission and propagation of this radiation through the coherent hard X-ray (CHX) scattering beamline followed by a coherent-mode decomposition. GPU acceleration is added for several key functions of SRW used in propagation from sample to detector, further improving the speed of the calculations. The accuracy of this simulation is benchmarked by comparison with experimental data.

36 MATERIALS SCIENCE↗

DOE OSTI2024

A Novel Noise-Aware Classical Optimizer for Variational Quantum Algorithms

A key component of variational quantum algorithms (VQAs) is the choice of classical optimizer employed to update the parameterization of an ansatz. It is well recognized that quantum algorithms will, for the foreseeable future, necessarily be run on noisy devices with limited fidelities. Thus, the evaluation of an objective function (e.g., the guiding function in the quantum approximate optimization algorithm (QAOA) or the expectation of the electronic Hamiltonian in variational quantum eigensolver (VQE)) required by a classical optimizer is subject not only to stochastic error from estimating an expected value but also to error resulting from intermittent hardware noise. Model-based derivative-free optimization methods have emerged as popular choices of a classical optimizer in the noisy VQA setting, based on empirical studies. However, these optimization methods were not explicitly designed with the consideration of noise. In this work we adapt recent developments from the “noise-aware numerical optimization” literature to these commonly used derivative-free model-based methods. We introduce the key defining characteristics of these novel noise-aware derivative-free model-based methods that separate them from standard model-based methods. In conclusion, we study an implementation of such noise-aware derivative-free model-based methods and compare its performance on demonstrative VQA simulations to classical solvers packaged in scikit-quant.

classical optimizers↗

DOE OSTI2024

Reduce, reuse, reinterpret: An end-to-end pipeline for recycling particle physics results

Searches for new physics at the Large Hadron Collider have constrained many models of physics beyond the Standard Model. Many searches also provide resources that allow them to be reinterpreted in the context of other models. We describe a reinterpretation pipeline that examines previously untested models of new physics using supplementary information from ATLAS Supersymmetry (SUSY) searches in a way that provides accurate constraints even for models that differ meaningfully from the benchmark models of the original analysis. The public analysis information, such as public analysis routines and serialized probability models, is combined with common event generation and simulation toolkits MADGRAPH, PYTHIA8, and DELPHES into workflows steered by TOML configuration files, and bundled into the mapyde Python package. The use of mapyde is demonstrated by constraining previously untested SUSY models with compressed sleptons and electroweakinos using ATLAS results.

Stark, Giordon↗

DOE OSTI2024

Codebase release 0.5 for mapyde

Stark, Giordon↗

NASA NTRS1972

A Flying Ejection Seat

To increase aircrewmen's chances for safe rescue in combat zones, the armed forces are investigating advanced escape and rescue concepts that will provide independent flight after ejection and thus reduce the risk of capture. One of the candidate concepts is discussed; namely, a stowable autogyro that serves as the crewman's seat during normal operations and automatically converts to a flight vehicle after ejection. Discussed are (1) the mechanism subsystems that the concept embodies to meet the weight and cockpit-packaging constraints and (2) tests that demonstrated the technical feasibility of the stowage, deployment, and flight operation of the rotor lift system.

Hollrock, R. H.↗

NASA NTRS1997

Solar and Magnetic Attitude Determination for Small Spacecraft

During the Phase B development of the NASA New Millennium Program (NMP) Earth Orbiter-1 (EO-1) spacecraft, detailed analyses were performed for on-board attitude determination using the Sun and the Earth's magnetic field. This work utilized the TRMM 'Contingency Mode' as a starting point but concentrated on implementation for a small spacecraft without a high performance mechanical gyro package. The analyses and simulations performed demonstrate a geographic dependence due to diurnal variations in the Earth magnetic field with respect to the Sun synchronous, nearly polar orbit. Sensitivity to uncompensated residual magnetic fields of the spacecraft and field modeling errors is shown to be the most significant obstacle for maximizing performance. Performance has been evaluated with a number of inertial reference units and various mounting orientations for the two-axis Fine Sun Sensors. Attitude determination accuracy using the six state Kalman Filter executing at 2 Hz is approximately 0.2 deg, 3-sigma, per axis. Although EO-1 was subsequently driven to a stellar-based attitude determination system as a result of tighter pointing requirements, solar/magnetic attitude determination is demonstrated to be applicable to a range of small spacecraft with medium precision pointing requirements.

Woodham, Kurt↗

NASA NTRS2000

Dam Failure Inundation Map Project

At the end of the first year, we remain on schedule. Property owners were identified and contacted for land access purposes. A prototype software package has been completed and was demonstrated to the Division of Land and Natural Resources (DLNR), National Weather Service (NWS) and Pacific Disaster Center (PDC). A field crew gathered data and surveyed the areas surrounding two dams in Waimea. (A field report is included in the annual report.) Data sensitivity analysis was initiated and completed. A user's manual has been completed. Beta testing of the software was initiated, but not completed. The initial TNK and property owner data collection for the additional test sites on Oahu and Kauai have been initiated.

Johnson, Carl↗

NASA NTRS2002

Structural Modeling of a Five-Meter Thin Film Inflatable Antenna/Concentrator

Inflatable structures have been the subject of renewed interest in recent years for space applications such as communications antennas, solar thermal propulsion, and space solar power. A major advantage of using inflatable structures in space is their extremely light weight. An obvious second advantage is on-orbit deployability and related space savings in the launch configuration. A recent technology demonstrator flight for inflatable structures was the Inflatable Antenna Experiment (IAE) that was deployed on orbit from the Shuttle Orbiter. Although difficulty was encountered in the inflation/deployment phase, the flight was successful overall and provided valuable experience in the use of such structures. Several papers on static structural analysis of inflated cylinders have been written, describing different techniques such as linear shell theory, and nonlinear and variational methods, but very little work had been done in dynamics of inflatable structures until recent years. In 1988 Leonard indicated that elastic beam bending modes could be utilized in approximating lower-order frequencies of inflatable beams. Main, et al. wrote a very significant 1995 paper describing results of modal tests of inflated cantilever beams and the determination of effective material properties. Changes in material properties for different pressures were also discussed, and the beam model was used in a more complex structure. The paper demonstrated that conventional finite element analysis packages could be very useful in the analysis of complex inflatable structures. The purposes of this paper are to discuss the methodology for dynamically characterizing a large 5-meter thin film inflatable reflector, and to discuss the test arrangement and results. Nonlinear finite element modal results are compared to modal test data. The work is significant and of considerable interest to researchers because of 1) the large size of the structure, making it useful for scaling studies, and 2) application of commercially available finite element software for modeling pressurized thin-film structures.

Smalley, Kurt B.↗

NASA NTRS2003

Interface Finite Elements for the Analysis of Fracture Initiation and Progression

Progressive failure analyses (PFA) are important for the prediction of residual strength and damage tolerance of vehicle structures, and to predict the energy absorbing capability of vehicle structures under crash-type loads. Typically continuum damage mechanics (CDM) and fracture mechanics (FM) are the methods used for PFA. The method of interfacial damage mechanics (IDM) is used for PFA in this research. IDM has capabilities intermediate between CDM and FM, and is used to numerically model the initiation, growth, and arrest of cracks. IDM smooths the stress singularity at the crack tip, and is easily adaptable with other nonlinearties such as plasticity and material damage. IDM is implemented by user-defined interface elements in the ABAQUS/ Standard structural analysis software package. The structural components selected to demonstrate the effectiveness PFA using interface elements are, for the most part, those with published test data. These structural components were subjected to quasi-static loading in the tests. Thus, the ABAQUS analyses are used to predict geometrically and materially nonlinear equilibrium states. Impact loading, dynamic fracture, reflected stress waves, inertia, and time dependent material behavior are not considered.

Ambur, Damodar R.↗

NASA NTRS2014

Venus High Temperature Atmospheric Dropsonde and Extreme-Environment Seismometer (HADES)

The atmospheric composition and geologic structure of Venus have been identified by the US National Research Council's Decadal Survey for Planetary Science as priority targets for scientific exploration, however the high temperature and pressure at the surface, along with the highly corrosive chemistry of the Venus atmosphere, present significant obstacles to spacecraft design that have severely limited past and proposed landed missions. Following the methodology of the NASA Innovative Advanced Concepts (NIAC) proposal regime and the Collaborative Modeling and Parametric Assessment of Space Systems (COMPASS) design protocol, this paper presents a conceptual study and initial feasibility analysis for a Discovery-class Venus lander capable of an extended-duration mission at ambient temperature and pressure, incorporating emerging technologies within the field of high temperature electronics in combination with novel configurations of proven, high Technology Readiness Level (TRL) systems. Radioisotope Thermal Power (RTG) systems and silicon carbide (SiC) communications and data handling are examined in detail, and various high-temperature instruments are proposed, including a seismometer and an advanced photodiode imager. The study combines this technological analysis with proposals for a descent instrument package and a relay orbiter to demonstrate the viability of an integrated atmospheric and in-situ geologic exploratory mission that differs from previous proposals by greatly reducing the mass, power requirements, and cost, while achieving important scientific goals.

HADES↗

NASA NTRSDate not supplied

Bridging the Last Mile with Open-Source Advancements: Empowering Communities through Fusion of Aerosol Optical Depth (AOD) Products from Multi-Satellite Sensors

Aerosol Optical Depth (AOD) is a crucial parameter for understanding atmospheric aerosol distribution and their impact on climate and air quality. With the growing number of Earth observation satellites, there is an abundance of AOD products derived from various sensors onboard both geostationary and low-orbit satellites. The availability of multiple datasets provides an opportunity to harness the strengths of each sensor and create comprehensive and accurate AOD datasets for climate and air quality studies at different temporal and spatial scales. Our NASA aerosol MEaSURES project has made significant strides in recent years by undertaking the ambitious task of developing an open-source package tailored for fusing AOD products from different sources. The package is based on OOP (Object-Oriented Programming) design and is implemented in Python modules. Generic interfaces enable easy inclusion of large and heterogeneous data. The package may be utilized to produce harmonized AOD datasets with enhanced spatial and temporal coverage. The latest version of the package is able to process and integrate the dark-target AOD data from six different sensors: AHI Himawari-8, ABI GOES-West, ABI GOES-East, MODIS AQUA, MODIS TERRA, and VIIRS SNPP. Rigorous validation and intercomparison studies have been performed to assess the accuracy and reliability of the fused AOD product against ground-based measurements and reference datasets. The open-source nature of the developed package ensures transparency, reproducibility, and community engagement. The research community and stakeholders can access, contribute to, and further improve the fusion methodology, making it adaptable to other studies, or expanding it to include new satellite data as they become available. In this poster presentation, we will introduce the accomplishments and challenges faced during the development of the open-source package for AOD data fusion, and demonstrate the advantages of combining AOD products from the six aforementioned satellite sensors. The presentation aims to foster discussions, collaborations, and future directions in integrating Earth observation and remote sensing data, which may contribute to a better understanding of atmospheric aerosols and their impacts on our environment.

Zhaohui Zhang↗