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At least 595 records · Page 33

Preparing for In Situ Processing on Upcoming Leading-edge Supercomputers

High performance computing applications are producing increasingly large amounts of data and placing enormous stress on current capabilities for traditional post-hoc visualization techniques. Because of the growing compute and I/O imbalance, data reductions, including in situ visualization, are required. These reduced data are used for analysis and visualization in a variety of different ways. Many of he visualization and analysis requirements are known a priori, but when they are not, scientists are dependent on the reduced data to accurately represent the simulation in post hoc analysis. The contributions of this paper is a description of the directions we are pursuing to assist a large scale fusion simulation code succeed on the next generation of supercomputers. Finally, these directions include the role of in situ processing for performing data reductions, as well as the tradeoffs between data size and data integrity within the context of complex operations in a typical scientific workflow.

97 MATHEMATICS AND COMPUTING↗

Repair-level analysis for Space Station Freedom

To assign repair or discard-at-failure designations for orbital replacement units (ORUs) used on Space Station Freedom Electric Power System (SSFEPS), new algorithms and methods were required. Unique parameters, such as upmass costs, extravehicular activity costs and intravehicular activity (IVA) costs specific to Space Station Freedom's maintenance concept were incorporated into the Repair-Level Analysis (RLA). Additional outputs were also required of the SSFEPS RLA that were not required of previous RLAs. These outputs included recommendations for the number of launches that an ORU should be capable of attaining and an economic basis for condemnation rate. These unique parameters were not addressable using existing RLA models: therefore, a new approach was developed. In addition, it was found that preemptive analysis could be performed using spreadsheet-based Boolean expressions to represent the logical condition of the items under analysis.

Chadwick, M.↗

Best-estimate plus uncertainty thermal-hydraulic stability analysis of BWRs using TRACG code

Over the last decade, Boiling Water Reactor (BWR) power up-rates have increased plant rated power output significantly. Subsequent projects have expanded flow domains (e.g. MELLLA+) for operation at these higher power levels. This has resulted in an increase in the power to flow ratio in regions susceptible to reactor thermal-hydraulic instabilities. Since BWRs are susceptible to coupled thermal-hydraulic/nuclear oscillations when operating at these conditions, such oscillations must be prevented or reliably detected and suppressed. The Detect and Suppress Solution - Confirmation Density (DSS-CD) is the most sophisticated GEH BWR instability protection system ever employed. DSS-CD implements algorithms that monitor closely-spaced groups of Local Power Range Monitor (LPRM) detectors to detect periodic behavior typical of reactor instability events. This system is able to detect small, localized power variations in the core, distinguish between true instabilities and plant noise, and trip/scram the reactor while maintaining adequate safety margins. The combination of hardware, software, and system setpoints provides protection against violation of the Safety Limit Minimum Critical Power Ratio (SLMCPR) for anticipated oscillations. To support DSS-CD implementation, the TRACG system code is used to simulate events to confirm the capability of the DSS-CD solution for early oscillation detection and suppression. TRACG is a GEH proprietary version of the Transient Reactor Analysis Code (TRAC). TRACG includes a multi-dimensional, two-fluid model for the reactor thermal-hydraulics and a three-dimensional reactor kinetics model. The models are qualified to simulate a large variety of tests and reactor configurations, including thermal-hydraulic stability events. These features allow for detailed, best-estimate simulation of a wide range of BWR phenomena. A set of integrated TRACG event simulations for reasonably limiting anticipated events can be used to calculate the effect on the Minimum Critical Power Ratio (MCPR) performance. The purpose of the DSS-CD TRACG analysis is to confirm the inherent MCPR margin afforded by the solution design. This paper presents the Best Estimate Plus Uncertainty (BEPU) DSS-CD TRACG methodology and its application to BWR Thermal-Hydraulic (T-H) stability analyses. The statistical Code Scaling, Applicability and Uncertainty (CSAU) methodology (defined in NUREG/CR-5249) is used to calculate the MCPR uncertainty. The TRACG simulation includes a full core individual bundle model in which each fuel bundle is modeled as an individual T-H channel. The complete CSAU analysis of full core individual bundle model is an innovative solution represents the state-of-the-art stability analysis of BWRs and is the first ever full statistical analysis for stability safety analyses. The adoption of BEPU methodologies for stability analyses advances the understanding of the associated physical phenomena and maintains the safety of reactor plant operation in expanded operation domain with up-rated power. (authors)

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

A Dark Siren Measurement of the Hubble Constant with the LIGO/Virgo Gravitational Wave Event GW190412 and DESI Galaxies

Abstract We present a measurement of the Hubble Constant H 0 using the gravitational wave event GW190412, an asymmetric binary black hole merger detected by LIGO/Virgo, as a dark standard siren. This event does not have an electromagnetic counterpart, so we use the statistical standard siren method and marginalize over potential host galaxies from the Dark Energy Spectroscopic Instrument (DESI) survey. GW190412 is well-localized to 12 deg 2 (90% credible interval), so it is promising for a dark siren analysis. The dark siren value for H 0 = 85.4 − 33.9 + 29.1 km s −1 Mpc −1 , with a posterior shape that is consistent with redshift overdensities. When combined with the bright standard siren measurement from GW170817 we recover H 0 = 77.96 − 5.03 + 23.0 km s −1 Mpc −1 , consistent with both early and late-time Universe measurements of H 0 . This work represents the first standard siren analysis performed with DESI data, and includes the most complete spectroscopic sample used in a dark siren analysis to date.

Ballard, W.↗

Graph-component approach to defect identification in large atomistic simulations

In this work, the graph-theoretical concept of connected components is employed to extract the evolution of defect configurations in a polycrystalline aluminum structure containing ~8.3 million atoms. This graph-component approach is applied to reveal details of defect formation, transport, and transformation in the polycrystalline Al under large shear deformation. Building upon standard nearest neighbor analysis, graph theory and associated tools are used to reduce the multi-million-atom system into discrete component subgraphs that represent distinct structural defects. This method allows the automated identification, characterization, and tracking of defective regions within large volumes of data representing atomic-scale processes. Such analysis elucidates relationships between external stimuli, such as strain, and defect distributions, which have a large influence on material properties. The Graph Analytics for Large Atomistic Simulations (GALAS) codebase that implements this analysis, together with user guidance, is openly available at https://github.com/pnnl/galas.

36 MATERIALS SCIENCE↗

Texture and phase analysis of deformed SUS304 by using HIPPO

These slides represent the author's research activity at Los Alamos National Laboratory (LANL), which is about texture and phase analysis of deformed SUS304 by using HIPPO. The following topics are covered: diffraction histogram at each sample position, diffraction histogram (all bank data averaged), possiblity of ε-phase, MAUD analysis with including ε-phase.

36 MATERIALS SCIENCE↗

Engineering approach to the prediction of shock patterns in bounded high-speed flows

A two-dimensional symmetric wedge configuration representative of a single high-speed intake in steady flow was investigated. The analysis presented here is intended as an engineering approach for estimating certain features of the internal shock system. The primary interest here is the prediction of the size and location of the almost-normal shock wave that develops when the leading-edge shocks intersect at angles above a certain critical value that is less than the wedge detachment angle. The almost-normal shock wave is frequently referred to as the 'Mach stem', Parametric studies enabled the sensitivity of the Mach stem height to various flowfield parameters to be examined, thus indicating how accurately these parameters must be measured in a given experiment. Results of these predictions were compared with those of a steady-flow experiment performed at nominal freestream Mach numbers from 2.8 to 5. The predicted stem heights were consistently lower than the mean experimental values, attributable both to experimental uncertainties and to certain simplifying assumptions used in the analysis. Modification of these assumptions to better represent the test environment improved the analytical results.

Azevedo, D. J.↗

Quantifying market volume sensitivity to material property modifications in polyhydroxybutyrate: A parametric analysis approach

Polyhydroxybutyrate (PHB), a biodegradable biopolymer, represents a promising alternative to petroleum-based thermoplastics. However, despite consistent market growth, PHB faces persistent commercialization challenges that limit widespread adoption. Existing research has focused predominantly on optimizing PHB production processes, leaving a critical gap in understanding which material property modifications would most effectively enhance market competitiveness. This study addresses this gap by systematically analyzing the relationship between polymer material properties and market performance using U.S. market data from 2008 to 2021 for 21 thermoplastic polymers across 19 material properties. We employed principal component regression to identify property modifications that could maximize market volume while reducing CO 2 emissions. Our parametric analysis revealed that two specific material properties – Hardness Shore A and Sheet Extrusion Temperature – significantly influence PHB marketability across different price points. Market simulations demonstrated that a 10% increase in Hardness Shore A could increase PHB market volume by 431.5 million kg while reducing emissions by 188.7 kg CO 2 . A similar 10% increase to Sheet Extrusion Temperature could yield a 297.5 million kg volume increase and a 99.2 kg CO 2 reduction in emissions. Critically, this approach is agnostic to the specific methods required to achieve these property changes, instead providing material scientists with quantitative, data-driven targets for R&D prioritization. Here, this framework offers a novel methodology for evaluating biopolymer competitiveness and supporting strategic decisions to accelerate PHB market adoption and contribute to decarbonization of the plastics industry.

09 BIOMASS FUELS↗

Rapid identification of enteric bacteria from whole genome sequences using average nucleotide identity metrics

Identification of enteric bacteria species by whole genome sequence (WGS) analysis requires a rapid and an easily standardized approach. We leveraged the principles of average nucleotide identity using MUMmer (ANIm) software, which calculates the percent bases aligned between two bacterial genomes and their corresponding ANI values, to set threshold values for determining species consistent with the conventional identification methods of known species. The performance of species identification was evaluated using two datasets: the Reference Genome Dataset v2 (RGDv2), consisting of 43 enteric genome assemblies representing 32 species, and the Test Genome Dataset (TGDv1), comprising 454 genome assemblies which is designed to represent all species needed to query for identification, as well as rare and closely related species. The RGDv2 contains six Campylobacter spp., three Escherichia/Shigella spp., one Grimontia hollisae, six Listeria spp., one Photobacterium damselae, two Salmonella spp., and thirteen Vibrio spp., while the TGDv1 contains 454 enteric bacterial genomes representing 42 different species. The analysis showed that, when a standard minimum of 70% genome bases alignment existed, the ANI threshold values determined for these species were ≥95 for Escherichia/Shigella and Vibrio species, ≥93% for Salmonella species, and ≥92% for Campylobacter and Listeria species. Using these metrics, the RGDv2 accurately classified all validation strains in TGDv1 at the species level, which is consistent with the classification based on previous gold standard methods.

59 BASIC BIOLOGICAL SCIENCES↗

Relative motion of orbiting particles under the influence of perturbing forces. Volume 2: Analytical results

The mathematical developments carried out for this investigation are reported. In addition to describing and discussing the solutions which were acquired, there are compendia of data presented herein which summarize the equations and describe them as representative trace geometries. In this analysis the relative motion problems have been referred to two particular frames of reference; one which is inertially aligned, and one which is (local) horizon oriented. In addition to obtaining the classical initial values solutions, there are results which describe cases having applied specific forces serving as forcing functions. Also, in order to provide a complete state representation the speed components, as well as the displacements, have been described. These coordinates are traced on representative planes analogous to the displacement geometries. By this procedure a complete description of a relative motion is developed; and, as a consequence range rate as well as range information is obtained.

Eades, J. B., Jr.↗

GazeAppraise v. 0.1

GazeAppraise advances the state of the art of gaze pattern analysis using methods that simultaneously analyze spatial and temporal characteristics of gaze patterns. GazeAppraise enables novel research in visual perception and cognition; for example, using shape features as distinguishing elements to assess individual differences in visual search strategy. Given a set of point-to-point gaze sequences, hereafter referred to as scanpaths, the method constructs multiple descriptive features for each scanpath. Once the scanpath features have been calculated, they are used to form a multidimensional vector representing each scanpath and cluster analysis is performed on the set of vectors from all scanpaths. An additional benefit of this method is the identification of causal or correlated characteristics of the stimuli, subjects, and visual task through statistical analysis of descriptive metadata distributions within and across clusters.

Wilson, Andrew↗

Benefits of hydrogen production research

An economic analysis of total monetary benefits arising from increased volume and efficiency of hydrogen production from various primary energy sources is carried out. The analysis is based on NASA's projections of future hydrogen demand in terms of both established industrial-chemical uses and new energy system applications, along with the mix of primary energy sources needed to meet this demand. A cost methodology model is worked out with the basic cost elements being plant construction costs, feedstock and energy costs, and operating and labor-related costs. A computer simulation technique was developed and a set of model calculations was performed. Some representative outputs of the computer analysis are displayed and conclusions are drawn on major factors determining the overall savings possible in hydrogen production and on its technological and economic impact.

Manvi, R.↗

Global Energy and Water Budgets in MERRA

Reanalyses, retrospectively analyzing observations over climatological time scales, represent a merger between satellite observations and models to provide globally continuous data and have improved over several generations. Balancing the Earth s global water and energy budgets has been a focus of research for more than two decades. Models tend to their own climate while remotely sensed observations have had varying degrees of uncertainty. This study evaluates the latest NASA reanalysis, called the Modern Era Retrospective-analysis for Research and Applications (MERRA), from a global water and energy cycles perspective. MERRA was configured to provide complete budgets in its output diagnostics, including the Incremental Analysis Update (IAU), the term that represents the observations influence on the analyzed states, alongside the physical flux terms. Precipitation in reanalyses is typically sensitive to the observational analysis. For MERRA, the global mean precipitation bias and spatial variability are more comparable to merged satellite observations (GPCP and CMAP) than previous generations of reanalyses. Ocean evaporation also has a much lower value which is comparable to observed data sets. The global energy budget shows that MERRA cloud effects may be generally weak, leading to excess shortwave radiation reaching the ocean surface. Evaluating the MERRA time series of budget terms, a significant change occurs, which does not appear to be represented in observations. In 1999, the global analysis increments of water vapor changes sign from negative to positive, and primarily lead to more oceanic precipitation. This change is coincident with the beginning of AMSU radiance assimilation. Previous and current reanalyses all exhibit some sensitivity to perturbations in the observation record, and this remains a significant research topic for reanalysis development. The effect of the changing observing system is evaluated for MERRA water and energy budget terms.

Bosilovich, Michael G.↗

Towards a Consolidated Approach for the Assessment of Evaluation Models of Nuclear Power Reactors

The STARS project at the Paul Scherrer Institut (PSI) has adopted the TRACE thermal-hydraulic (T-H) code for best-estimate system transient simulations of the Swiss Light Water Reactors (LWRs). For analyses involving interactions between system and core, a coupling of TRACE with the SIMULATE-3K (S3K) LWR core simulator has also been developed. In this configuration, the TRACE code and associated nuclear power reactor simulation models play a central role to achieve a comprehensive safety analysis capability. Thus, efforts have now been undertaken to consolidate the validation strategy by implementing a more rigorous and structured assessment approach for TRACE applications involving either only system T-H evaluations or requiring interfaces to e.g. detailed core or fuel behavior models. The first part of this paper presents the preliminary concepts of this validation strategy. The principle is to systematically track the evolution of a given set of predicted physical Quantities of Interest (QoIs) over a multidimensional parametric space where each of the dimensions represent the evolution of specific analysis aspects, including e.g. code version, transient specific simulation methodology and model "nodalisation". If properly set up, such environment should provide code developers and code users with persistent (less affected by user effect) and quantified information (sensitivity of QoIs) on the applicability of a simulation scheme (codes, input models, methodology) for steady state and transient analysis of full LWR systems. Through this, for each given transient/accident, critical paths of the validation process can be identified that could then translate into defining reference schemes to be applied for downstream predictive simulations. In order to illustrate this approach, the second part of this paper presents a first application of this validation strategy to an inadvertent blowdown event that occurred in a Swiss BWR/6. The transient was initiated by the spurious actuation of the Automatic Depressurization System (ADS). The validation approach progresses through a number of dimensions here: First, the same BWR system simulation model is assessed for different versions of the TRACE code, up to the most recent one. The second dimension is the "nodalisation" dimension, where changes to the input model are assessed. The third dimension is the "methodology" dimension. In this case imposed power and an updated TRACE core model are investigated. For each step in each validation dimension, a common set of QoIs are investigated. For the steady-state results, these include fuel temperatures distributions. For the transient part of the present study, the evaluated QoIs include the system pressure evolution and water carry-over into the steam line.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

WE-G-204-09: Medical Physics 2.0 in Practice: Automated QC Assessment of Clinical Chest Images

Purpose: To determine whether a proposed suite of objective image quality metrics for digital chest radiographs is useful for monitoring image quality in our clinical operation. Methods: Seventeen gridless AP Chest radiographs from a GE Optima portable digital radiography (DR) unit (Group 1), seventeen (routine) PA Chest radiographs from a GE Discovery DR unit (Group 2), and sixteen gridless (non-routine) PA Chest radiographs from the same Discovery DR unit (Group 3) were chosen for analysis. Groups were selected to represent “sub-standard” (Group 1), “standard-of-care” (Group 2), and images with a gross technical error (Group 3). Group 1 images were acquired with lower kVp (90 vs. 125), shorter source-to-image distance (127cm vs 183cm) and were expected to have lower quality than images in Group 2. Group 3 was expected to have degraded contrast versus Group 2.This evaluation was approved by the institutional Quality Improvement Assurance Board (QIAB). Images were anonymized and securely transferred to the Duke University Clinical Imaging Physics Group for analysis using software previously described{sup 1} and validated{sup 2}. Image quality for individual images was reported in terms of lung grey level(Lgl); lung noise(Ln); rib-lung contrast(RLc); rib sharpness(Rs); mediastinum detail(Md), noise(Mn), and alignment(Ma); subdiaphragm-lung contrast(SLc); and subdiaphragm area(Sa). Metrics were compared across groups. Results: Metrics agreed with published Quality Consistency Ranges with three exceptions: higher Lgl, lower RLc, and SDc. Higher bit depth (16 vs 12) accounted for higher Lgl values in our images. Values were most internally consistent for Group 2. The most sensitive metric for distinguishing between groups was Mn followed closely by Ln. The least sensitive metrics were Md and RLc. Conclusion: The software appears promising for objectively and automatically identifying substandard images in our operation. The results can be used to establish local quality consistency ranges and action limits per facility preferences.

60 APPLIED LIFE SCIENCES↗

A data science approach for analysis and reconstruction of spinodal-like composition fields in irradiated FeCrAl alloys

A statistical method for the analysis of continuously distributed data representative of composition fluctuations in irradiated FeCrAl alloys acquired using Energy Dispersive X-ray Spectroscopy (EDS) method is presented. Using probability distribution functions, direct and cross-covariances between the elemental compositions, the effects of alloy composition and irradiation dose were investigated on the spatial distribution and length scale of composition fluctuations at the nanoscale. We have observed that, for neutron-irradiated FeCrAl alloys, the distribution of Fe and Cr followed a left-skewed and right-skewed distribution, respectively for all (average) alloy compositions and irradiation doses. The analysis also revealed enhanced spatial gradients in the elemental compositions at higher irradiation dose. Direct and cross-covariance estimates of the experimental data were also utilized for reconstruction of composition data through fitting it to a parametric form of the covariance functions. Linear Model of Coregionalization was used to determine the parameters of the covariance functions. Subsequently, a spectral method was utilized for simulating a realization of the alloy compositions. Close correspondence was observed between the experimental and the reconstructed data which was analyzed using probability distribution functions and covariance functions. Composition space of the experimental and reconstructed data and dislocation velocities as a function of applied stress and line directions over the entire composition maps were also examined.

36 MATERIALS SCIENCE↗

Evolution and Impact of Saturn V on Space Launch System from a Guidance, Navigation, and Mission Analysis Perspective

The Saturn V launch vehicle represented a jump in capability for heavy lift launch vehicles, enabling the Lunar Orbit Rendezvous approach to planetary exploration employed by the Apollo program 50 years ago. Following Apollo, and the development of the Space Transportation System, the NASA space exploration program shifted focus from lunar exploration to long-term, sustained, re-usable access to Low Earth Orbit. With the recent focus of NASA on the Artemis program and continued exploration of cislunar space as a precursor to Martian exploration, the shift has swung back to heavy lift capability. To meet this need, NASA has developed the Space Launch System. While the vehicle is a new design, it is heavily influenced by the engineering solutions and approach used on the Saturn V while taking advantage of the state of the art of launch vehicle design. The approach to abort, for example, shares many familiarities with the triggers and concept of operations used on Saturn V. Analysis approaches to dispersed trajectory performance are also very similar, but advances in computing technology have enabled a much more expanded set of inputs that can be modelled and assessed in a rapid manner. Additionally, guided flight algorithms share similar first principles but have expanded to include day of launch wind information. Trajectory optimization has also advanced significantly due to the availability of computing resources, but similar maneuvers and profiles are flown across both vehicles. Also, while the approach of onboard inertial navigation has been maintained between the two programs, the shift from platform to strapdown systems enables reduced complexity in the system design while maintaining required performance. As described, the Space Launch System is the evolution of NASA launch vehicle designs, owing a large heritage to the Saturn vehicle program and incorporating advances in propulsion systems, avionics, computing, and sensor technology over the past 50 years.

Ahmad, Naeem↗