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DOE OSTI2018

PDFgetN3: Atomic Pair Distribution Functions From Neutron Powder Diffraction Data Using ad hoc Corrections

We describe PDFgetN3, a new software tool for the extraction of PDF from neutron powder diffraction intensity data. We demonstrate its use with constant wavelength neutron data measured at the new powder diffractometer PEARL at the Delft University of Technology (TU), Delft. PDFgetN3 uses an ad hoc data collection protocol similar to PDFgetX3. Here, the quality of the resulting PDFs is assessed by structure refinement and by comparison with established results from synchrotron x-ray scattering.

97 MATHEMATICS AND COMPUTING↗

NASA NTRS2023

Turbulence Model Validation Through Joint Experimental /Computational Studies of Separated Flow Over A Three-Dimensional Tapered Bump: Part I - Experimental Investigation

The results of a three-year experimental campaign aimed at comprehensively documenting the separated flow over a three-dimensional bump are presented with the purpose of generating a benchmark experimental database useful in validating computational fluid dynamics (CFD) flow simulations. The bump model geometry was designed to provide well-defined and repeatable smooth-body flow separation conditions that were suitable for both experiments and simulations. The bump had a Gaussian streamwise profile with a constant height equal to 8.5% of its width over the central 60% of the test section width. The remaining 40% were outboard spanwise portions that gradually taper to zero using an error function profile to minimize side-wall boundary layer effects. The model was immersed in a turbulent boundary layer that was developed on a suspended flat plate in the Notre Dame Mach 0.6 Wind Tunnel. In order to document the effect of the incoming boundary layer thickness on the flow separation, the bump model could be located at two streamwise positions. The mean velocity and turbulence intensity of the wind tunnel freestream flow field and approaching turbulent boundary layer were fully documented. The measurements of the flow separation region included surface visualization, wall shear stress using oil-film interferometry, mean and dynamic surface pressure, and planar and stereoscopic particle image velocimetry. The experiments were conducted over a range of Mach numbers from 0.05 to 0.2 corresponding to a range of Reynolds numbers based on the test section spanwise dimension (0.914m) of 1.0 × 10 6 ≤ Re L = U ∞ L/ν ≤ 4.0 × 10 6 . The bulk of the results are presented for the higher Mach number conditions of 0.1 and 0.2 with Re L = 2.0 × 10 6 and 4.0 × 10 6 , respectively. Extensive uncertainty analysis of the data was performed. The data is archived in the NASA Langley Turbulence Modeling Resource website at https://turbmodels.larc.nasa.gov/Other_exp_Data/speedbump_sep_exp.html. In addition to the experiments, a computational effort was made in parallel by the CFD group at Boeing Research & Technology highlighting the usefulness of the data set, which is outlined in the accompanying CFD report.

Flow separation↗

DOE OSTI2015

WE-AB-BRB-05: Toward a 2D Water-Equivalent Dosimetry Panel Using KCl:Eu2+

Purpose: KCl:Eu2+ storage phosphor shows promise for radiation therapy dosimetry. The purpose of this work is to investigate several important aspects of this material for potential commercial use. Methods: KCl:Eu2+ chips were fabricated and a conformal coating using Parylene was applied. Material’s dose response in a 6 MV beam was investigated using Monte-Carlo simulations. We attempted to micronize the materials using a spiral jet mill. As we did not have a water-free glovebox, we used commercially available non-hygroscopic BaFBr0.85I0.15:Eu2+ computed radiography material to test if a homogeneous panel can be made using micron-sized phosphors. Results: Dosimeters remained intact and showed no change in PSL intensity after eight hrs of submersion in water. We then optically bleached the samples for reuse, irradiated and immersed for another 24 hrs. We observed marginal worsening of the PSL signal for both the soaked and un-soaked chips. By contrast, we were unable to measure PSL intensity of the un-coated pellets due to these pellets dissolving within minutes of being immersed in water. MC data indicate that the micron-sized KCl:Eu2+ is predicted to have a nearly water-equivalent response. KCl:Eu2+ particles with a median size of 3 microns can be produced using a jet mill, which could be reduced further if necessary. While the particles tend to agglomerate over time when stored in a desiccator, they still possess favorable d50’s and d99’s even after 100 minutes, providing an adequate time window for making a panel via tape casting. A panel cast using optimized methods exhibits nearly perfect particle arrangement. Conclusions: Data shown here support ongoing efforts in fabricating a reusable, high resolution dosimetry panel in a water-free glovebox using micron-sized KCl:Eu2+ particles separated by water-equivalent polymers. The conformal coating thereafter will provide good humidity resistance. HL is the founder of DoseImaging, LLC that is exclusively dedicated to commercializing this technology.

60 APPLIED LIFE SCIENCES↗

DOE OSTI2025

PyCMG-based Simulation of Volumetric Concrete Microstructure

Concrete is a complex, heterogeneous material with a microstructure composed of aggregates, cement paste, and pores spanning multiple length scales. Understanding this microstructure is critical for advancing the performance, durability, and modeling of concrete-based systems. While experimental imaging such as X-ray computed tomography (XCT) provides valuable insights, generating large datasets with detailed ground truth annotations is both costly and labor-intensive due to challenges in segmenting similar phases, such as aggregates and cement paste, that often share similar attenuation properties. To address this, we developed a pipeline to simulate realistic 3D concrete microstructures using the open-source Python package PyCMG. This simulation effort focuses on generating high-fidelity, annotated microstructures that can serve as training or benchmarking datasets for image analysis, segmentation algorithms, and machine learning models, particularly in scenarios where experimental data is scarce.

Ziabari, Amir [Oak Ridge National Laboratory; ORNL↗

DOE OSTI2024

Optimization Studies of Radiation Shielding for PIP-II Project at Fermilab

The Proton Improvement Plan-II (PIP-II) at Fermilab represents a significant advancement in the quest to answer some of the most profound questions about our universe using the world's most intense high-energy neutrino beam. The project requires the construction of a new addition to the Fermilab accelerator complex – an 800-MeV high-intensity superconducting linear accelerator. Ensuring the safety and regulatory compliance of this ambitious project is paramount, necessitating thorough dose rate assessments under both normal operational and accidental scenarios to align with the Fermilab Radiological Control Manual (FRCM) standards. Our approach included a shielding optimization used for the simulations with the Monte Carlo code MARS [1,2,3] to incorporate new magnet and collimator designs, essential for reflecting the current state of PIP-II infrastructure. The implementation of high-resolution detector planes, despite their computational demands, enabled us to gather detailed radiation field data crucial for optimizing shielding configurations. To overcome the significant computational demands, we developed a branching code that drastically reduced simulation runtimes while maintaining statistical integrity. This was achieved through geometry splitting and the application of Russian Roulette techniques, tailored to prioritize regions of interest based on predefined importances and weight limits.

43 PARTICLE ACCELERATORS↗

DOE OSTI2024

Optimization Studies of Radiation Shielding for PIP-II Project at Fermilab

Makovec, Alajos↗

NASA NTRS1987

Forbidden coronal iron line images of Puppis A - Cloud evaporation or shocked cloud?

Calibrated CCD images of the eastern X-ray knot in Puppis A, made in the forbidden red and green coronal Fe lines, are discussed. They show the high-temperature gas to have a rich morphology, with the scale of some features approaching the 2.6 arcsec resolution of the data. The pictures have been compared with an Einstein HRI soft X-ray image; there is close correspondence in the position and size of structures seen in the optical forbidden lines and in the X-rays. Located near the shock front a cloud of about 0.4 pc x 0.9 pc dimension shines brilliantly in the 5303 A line. To test the hypothesis that the cloud might be evaporating into the remnant interior, the 5303 A and 6374 A intensity distributions expected for a steady state, one-fluid evaporatig model have been computed.

Teske, Richard G.↗

NASA NTRS2011

Sleep Disruption Medical Intervention Forecasting (SDMIF) Module for the Integrated Medical Model

The NASA Integrated Medical Model (IMM) assesses the risk, including likelihood and impact of occurrence, of all credible in-flight medical conditions. Fatigue due to sleep disruption is a condition that could lead to operational errors, potentially resulting in loss of mission or crew. Pharmacological consumables are mitigation strategies used to manage the risks associated with sleep deficits. The likelihood of medical intervention due to sleep disruption was estimated with a well validated sleep model and a Monte Carlo computer simulation in an effort to optimize the quantity of consumables. METHODS: The key components of the model are the mission parameter program, the calculation of sleep intensity and the diagnosis and decision module. The mission parameter program was used to create simulated daily sleep/wake schedules for an ISS increment. The hypothetical schedules included critical events such as dockings and extravehicular activities and included actual sleep time and sleep quality. The schedules were used as inputs to the Sleep, Activity, Fatigue and Task Effectiveness (SAFTE) Model (IBR Inc., Baltimore MD), which calculated sleep intensity. Sleep data from an ISS study was used to relate calculated sleep intensity to the probability of sleep medication use, using a generalized linear model for binomial regression. A human yes/no decision process using a binomial random number was also factored into sleep medication use probability. RESULTS: These probability calculations were repeated 5000 times resulting in an estimate of the most likely amount of sleep aids used during an ISS mission and a 95% confidence interval. CONCLUSIONS: These results were transferred to the parent IMM for further weighting and integration with other medical conditions, to help inform operational decisions. This model is a potential planning tool for ensuring adequate sleep during sleep disrupted periods of a mission.

Lewandowski, Beth↗

DOE OSTI2020

Enabling Highly Efficient Capsule Networks Processing Through A PIM-Based Architecture Design

In recent years, the CNNs have achieved great successes in the image processing tasks, e.g., image recognition and object detection. Unfortunately, traditional CNN's classication is found to be easily misled by increasingly complex image features due to the usage of pooling operations, hence unable to preserve accurate position and pose information of the objects. To address this challenge, a novel neural network structure called Capsule Network has been proposed, which introduces equivariance through capsules to signicantly enhance the learning ability for image segmentation and object detection. Due to its requirement of performing a high volume of matrix operations, CapsNets have been generally accelerated on modern GPU platforms that provide highly optimized software library for common deep learning tasks. However, based on our performance characterization on modern GPUs, CapsNets exhibit low effciency due to the special program and execution features of their routing procedure, including massive unshareable intermediate variables and intensive syn- chronizations, which are very dicult to optimize at software level. To address these challenges, we propose a hybrid computing architecture design named PIM-CapsNet. It preserves GPU's on-chip computing capability for accelerating CNN types of layers in CapsNet, while pipelining with an off-chip in-memory acceleration solution that effectively tackles routing procedure's ineffciency by leveraging the processing-in-memory capability of today's 3D stacked memory. Using routing procedure's inherent parallellization feature, our design enables hierarchical improvements on CapsNet inference effciency through minimizing data movement and maximizing parallel processing in memory. Evaluation results demonstrate that our proposed design can achieve substantial improvement on both performance and energy savings for CapsNet inference, with almost zero accuracy loss. The results also suggest good performance scalability in optimizing the routing procedure with increasing network size.

Zhang, Xingyao↗

NASA NTRS1998

Study of Boundary Layer Development in a Two-Stage Low-Pressure Turbine

Experimental data from jet-engine tests have indicated that unsteady blade row (wake) interactions and separation can have a significant impact on the efficiency of turbine stages. The effects of these interactions can be intensified in low-pressure turbine stages because of the low Reynolds number operating environment. Measured turbine efficiencies at takeoff can be as much as two points higher than those at cruise conditions. Thus, during the last decade a significant amount of effort has been put into determining the effects of transition and turbulence on the performance of low pressure turbine stages. Experimental investigations have been performed, for example, by Hodson et al. and Halstead et al. These investigations have helped identify/clarify the roles that factors such as the Reynolds number, free stream turbulence intensity, pressure gradient and curvature have in the generation of losses. In parallel to the experimental investigations, there have been significant analytical efforts to improve the modeling of transition. Examples of such efforts include the works of Mayle and Gostelow et al. These newer models show promise of providing accurate transition predictions over a wide range of flow conditions, although they have yet to be implemented into the numerical flow analyses used by the turbine design community. Some recent computational investigations of interest include the works of Chernobrovkin and Lakshminarayana and Eulitz and Engel. The focus of the current effort has been to -use a viscous, unsteady quasi-three-dimensional Navier-Stokes analysis to study boundary layer development in a two-stage low-pressure turbine. A two-layer algebraic turbulence model, along with a natural transition model and a bubble transition model, have been used, The geometry used in the simulations has been the subject of extensive experiments. The predicted results have been compared with experimental data, including airfoil loadings and time-averaged/unsteady integral boundary layer quantities.

Dorney, Daniel J.↗

DOE OSTI2011

A METHOD FOR THE STUDY OF ACCRETION DISK EMISSION IN CATACLYSMIC VARIABLES. I. THE MODEL

We have developed a spectrum synthesis method for modeling the ultraviolet (UV) emission from the accretion disk from cataclysmic variables (CVs). The disk is separated into concentric rings, with an internal structure from the Wade and Hubeny disk-atmosphere models. For each ring, a wind atmosphere is calculated in the comoving frame with a vertical velocity structure obtained from a solution of the Euler equation. Using simple assumptions, regarding rotation and the wind streamlines, these one-dimensional models are combined into a single 2.5-dimensional model for which we compute synthetic spectra. We find that the resulting line and continuum behavior as a function of the orbital inclination is consistent with the observations, and verify that the accretion rate affects the wind temperature, leading to corresponding trends in the intensity of UV lines. In general, we also find that the primary mass has a strong effect on the P Cygni absorption profiles, the synthetic emission line profiles are strongly sensitive to the wind temperature structure, and an increase in the mass-loss rate enhances the resonance line intensities. Synthetic spectra were compared with UV data for two high orbital inclination nova-like CVs-RW Tri and V347 Pup. We needed to include disk regions with arbitrary enhanced mass loss to reproduce reasonably well widths and line profiles. This fact and a lack of flux in some high ionization lines may be the signature of the presence of density-enhanced regions in the wind, or alternatively, may result from inadequacies in some of our simplifying assumptions.

79 ASTRONOMY AND ASTROPHYSICS↗

NASA NTRS1981

Contextual classification of multispectral image data

A general method is presented for exploiting both spatial and spectral information when classifying multispectral image data. This statistical classification algorithm utilizes the tendency of certain ground cover classes to be more likely to occur in some contexts than others. The theoretical model assumes the two-dimensional array of random observations and a 0-1 loss function, a distribution of the p-context array that is spatially invariant, and class-conditional independence for the observations. The problems that prevent the immediate use of this context classifier are the need for a generally applicable method for making adequate estimates of the context distribution and a reduction in the computational intensivity of the classifier. The former problem is being approached by a method that raises the relative frequency value for each class configuration to a power and uses the result as the context distribution estimate. The second is being approached by searching for a less computationally intensive algorithm.

Tilton, J. C.↗

NASA NTRS1988

Analysis of positron lifetime spectra in polymers

A new procedure for analyzing multicomponent positron lifetime spectra in polymers was developed. It requires initial estimates of the lifetimes and the intensities of various components, which are readily obtainable by a standard spectrum stripping process. These initial estimates, after convolution with the timing system resolution function, are then used as the inputs for a nonlinear least squares analysis to compute the estimates that conform to a global error minimization criterion. The convolution integral uses the full experimental resolution function, in contrast to the previous studies where analytical approximations of it were utilized. These concepts were incorporated into a generalized Computer Program for Analyzing Positron Lifetime Spectra (PAPLS) in polymers. Its validity was tested using several artificially generated data sets. These data sets were also analyzed using the widely used POSITRONFIT program. In almost all cases, the PAPLS program gives closer fit to the input values. The new procedure was applied to the analysis of several lifetime spectra measured in metal ion containing Epon-828 samples. The results are described.

Singh, Jag J.↗

NASA NTRS1991

Non-isotropic turbulence effects on spray combustion

A numerical model for the prediction of local properties of statistically stationary spray-combusting flows is evaluated by comparison with experimental data. To appraise the relative performance of turbulence models, computations were carried out by the k-epsilon model and the algebraic stress model. The present numerical results show the qualitative agreement with experimental data. In terms of overall local flow properties, the algebraic stress model improves a degree of conformity to the experimental data due to its ability to introduce the nonisotropic turbulence effects. Two swirl numbers are considered to investigate the influence of swirl on the droplet evaporation and trajectories, and the effects of droplet/turbulence interactions in flow properties. It is found that the large swirl produces a higher evaporationn rate, and more intensive turbulent mixing and burning. The discrepancies observed in the results are attributed mainly to uncertainties in the initial spray size and velocity distributions, the droplet/wall impingement interaction, the combustion model with the fast chemistry and the turbulence models dealing with the strong streamline curvature and complex interactions between the dispersed droplets and the continuous gas-phase flows.

Kim, Y. M.↗

NASA NTRS1995

SeaWiFS technical report series. Volume 31: Stray light in the SeaWiFS radiometer

Some of the measurements from the Sea-viewing Wide Field-of-view Sensor (SeaWiFS) will not be useful as ocean measurements. For the ocean data set, there are procedures in place to mask the SeaWiFS measurements of clouds and ice. Land measurements will also be masked using a geographic technique based on each measurment's latitude and longitude. Each of these masks involves a source of light much brighter than the ocean. Because of stray light in the SeaWiFS radiometer, light from these bright sources can contaminate ocean measurements located a variable number of pixels away from a bright source. In this document, the sources of stray light in the sensor are examined, and a method is developed for masking measurements near bright targets for stray light effects. In addition, a procedure is proposed for reducing the effects of stray light in the flight data from SeaWiFS. This correction can also reduce the number of pixels masked for stray light. Without these corrections, local area scenes must be masked 10 pixels before and after bright targets in the along-scan direction. The addition of these corrections reduces the along-scan masks to four pixels before and after bright sources. In the along-track direction, the flight data are not corrected, and are masked two pixels before and after. Laboratory measurements have shown that stray light within the instrument changes in a direct ratio to the intensity of the bright source. The measurements have also shown that none of the bands show peculiarities in their stray light response. In other words, the instrument's response is uniform from band to band. The along-scan correction is based on each band's response to a 1 pixel wide bright sources. Since these results are based solely on preflight laboratory measurements, their successful implementation requires compliance with two additional criteria. First, since SeaWiFS has a large data volume, the correction and masking procedures must be such that they can be converted into computationally fast algorithms. Second, they must be shown to operate properly on flight data. The laboratory results, and the corrections and masking procedures that derive from them, should be considered as zeroeth order estimates of the effects that will be found on orbit.

Hooker, Stanford B.↗

NASA NTRS2003

Software Searches for Better Spacecraft-Navigation Models

ADAPT is a computer program that searches for better mathematical models for spacecraft navigation. The task of tuning trajectory-determination models for interplanetary navigation is complex, requiring an intensive search of multiple dynamical and nondynamical models that yield trajectory solutions with minimal errors. By automating the search, ADAPT eases the task of human analysts and enables them to consider wider ranges of potential solutions. ADAPT uses genetic algorithms to search a range of relevant parameters in a user-selected design space to arrive at values for those parameters that best fit the measured spacecraft-tracking data. The user s guide for ADAPT reviews the theoretical basis of the program and presents two example applications. One example is that of selecting a solar-radiation model for the Mars Pathfinder (MPF) mission using MPF tracking data and an extended Kalman filter from prior spacecraft-navigation software. The second example is of the use of tracking data from the Stardust spacecraft mission combined with a pseudo-epoch-state batch filter and an empirical small-forces model to find improved impulse models for use during Stardust attitude adjustments.

Ely, Todd↗

DOE OSTI2015

TRIO: Burst Buffer Based I/O Orchestration

The growing computing power on leadership HPC systems is often accompanied by ever-escalating failure rates. Checkpointing is a common defensive mechanism used by scientific applications for failure recovery. However, directly writing the large and bursty checkpointing dataset to parallel filesystem can incur significant I/O contention on storage servers. Such contention in turn degrades the raw bandwidth utilization of storage servers and prolongs the average job I/O time of concurrent applications. Recently burst buffer has been proposed as an intermediate layer to absorb the bursty I/O traffic from compute nodes to storage backend. But an I/O orchestration mechanism is still desired to efficiently move checkpointing data from bursty buffers to storage backend. In this paper, we propose a burst buffer based I/O orchestration framework, named TRIO, to intercept and reshape the bursty writes for better sequential write traffic to storage severs. Meanwhile, TRIO coordinates the flushing orders among concurrent burst buffers to alleviate the contention on storage server bandwidth. Our experimental results reveal that TRIO can deliver 30.5% higher bandwidth and reduce the average job I/O time by 37% on average for data-intensive applications in various checkpointing scenarios.

Wang, Teng↗

DOE OSTI2019

PERFORMANCE CHARACTERISTICS OF A VECTOR SENSOR ARRAY IN AN ENERGETIC TIDAL CHANNEL

A compact three-dimensional vector sensor array (termed the NoiseSpotter) was recently developed with the goal of characterizing and localizing sources of sound in energetic environments such as those where marine renewable energy devices are likely to be located. The three vector sensors on the NoiseSpotter are mounted on a bottom platform with each sensor suspended inside an optional flow noise removal shield. The multiple pressure and particle velocity channels on the NoiseSpotter are simultaneously sampled and stored on-board to enable coherent array processing of vector sensor array data. A series of field trials were conducted where the NoiseSpotter was deployed on a bottom platform in an 8 m deep tidal channel in Sequim Bay, Washington. Pure tones were transmitted from a drifting vessel whose distance from the bottom platform varied between 50 m and 500 m. The effect of flow noise on vector sensor array performance is quantified along with the detectability of low intensity sound in an energetic environment. Flow noise removal efficiency for each channel of every vector sensor is demonstrated using multiple metrics derived from the active and reactive intensities computed using the pressure-velocity cross-spectral density matrix. A flow noise removal shield is shown to improve the detectability of low intensity sound such as those that are expected to be emitted by marine renewable energy devices.

Raghukumar, Kaustubha↗