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At least 1,297 records · Page 72

Creep fatigue life prediction for engine hot section materials (isotropic)

The first two years of a two-phase program aimed at improving the high temperature crack initiation life prediction technology for gas turbine hot section components are discussed. In Phase 1 (baseline) effort, low cycle fatigue (LCF) models, using a data base generated for a cast nickel base gas turbine hot section alloy (B1900+Hf), were evaluated for their ability to predict the crack initiation life for relevant creep-fatigue loading conditions and to define data required for determination of model constants. The variables included strain range and rate, mean strain, strain hold times and temperature. None of the models predicted all of the life trends within reasonable data requirements. A Cycle Damage Accumulation (CDA) was therefore developed which follows an exhaustion of material ductility approach. Material ductility is estimated based on observed similarities of deformation structure between fatigue, tensile and creep tests. The cycle damage function is based on total strain range, maximum stress and stress amplitude and includes both time independent and time dependent components. The CDA model accurately predicts all of the trends in creep-fatigue life with loading conditions. In addition, all of the CDA model constants are determinable from rapid cycle, fully reversed fatigue tests and monotonic tensile and/or creep data.

Moreno, Vito↗

Dynamic Modeling and Simulation of a Subcritical Coal-Fired Power Plant under Load-Following Conditions

Dynamic models for power plants that capture realistic general process trends and effects of manipulated variables are needed to improve load-following, while minimizing carbon footprint. In this work, a dynamic modeling approach and simulation results for subcritical coal-fired power plant components are presented. These encompass simulation of the dynamics in the fireside, including the effects of fuel, air combustion, and the dynamics of the entire waterside and power generation sections. This model development enables the simulation and analysis of the important short and long-time scale dynamics of components such as heaters, evaporative loop, and power generation units. Furthermore, additional variables in the power generation section are introduced to improve model accuracy, extending the prediction capability of subcritical power plant models and opening new opportunities for research in operator training, optimization, and advanced model-based controller design that are based on these models. The change in process gain for different ramp rates associated with disturbance signals that affect process variables is also explored and a correlation developed. This provides opportunities to study disturbance rejection control implementation and adaptation for scenarios with such variations in ramp rates. The prediction capabilities of selected components are compared to data available in literature, with the obtained root mean squared error ranges that reflect the model performance and quality of predictions.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Statistical analysis of multivariate atmospheric variables

Topics covered include: (1) estimation in discrete multivariate distributions; (2) a procedure to predict cloud cover frequencies in the bivariate case; (3) a program to compute conditional bivariate normal parameters; (4) the transformation of nonnormal multivariate to near-normal; (5) test of fit for the extreme value distribution based upon the generalized minimum chi-square; (6) test of fit for continuous distributions based upon the generalized minimum chi-square; (7) effect of correlated observations on confidence sets based upon chi-square statistics; and (8) generation of random variates from specified distributions.

Tubbs, J. D.↗

Dynamics, statistics and predictability of planetary flow regimes

Consideration is given to regimes of low-frequency variability in large-scale atmospheric dynamics. The model utilized is the fully-nonlinear, equivalent-baratropic vorticity equation on the sphere, with simplified forcing, dissipation and topography. It is found that certain limited regions in the system's phase space are visited repeatedly and for extended periods by model solutions. Flow patterns coupled with these regions correspond to synoptically-defined zonal and blocked Northern Hemisphere midlatitude flows. It is shown that the system's macrodynamics can be depicted by two or more planetary flow regimes, the expected residence time in each regime, and the transition properties from one regime to another. These model-derived ideas are also applied to a time series of atmospheric data from the Southern Hemisphere.

Ghil, Michael↗

Effect of Rain-Adjusted Satellite Sea Surface Salinity on ENSO Predictions from the GMAO S2S Forecast System

ENSO has a significant impact on climate variability throughout the world and so has been the key focus for improving coupled ocean-atmosphere forecasts. Assimilation of altimetry and in situ data lead to improved short-term forecasts of the coupled system. However, few studies have focused on improving the near-surface density/mixing through assimilation of satellite sea surface salinity (SSS). For expediency, most projects that do assimilate SSS do so as if these data were observed at the top model layer instead of at the surface. In rainy regions where buoyant water sits as a fresh lens at the surface, this assumption is likely invalid. Therefore, we adjust SSS so that it more accurately represents the salinity at the first model layer. The Rain Impact Model (RIM) uses a simple diffusion model to determine the near surface salinity gradient (i.e., 1 cm to 5 m). Satellite SSS data are modified using this near-surface salinity gradient, so the salinity values are now valid at the first model layer (we call this SSS@5m). We assess the impact of satellite SSS observations for near-surface dynamics within ocean reanalyses and how these impact dynamical ENSO forecasts using the NASA GMAO S2S coupled system. For all reanalysis experiments, all available along-track sea level and in situ observations are assimilated for 2011 to 2020 using the LETKF scheme (Penny et al., 2013). One reanalysis assimilates Aquarius /SMAP SSS as before. An additional reanalysis is performed assimilating the SSS@5m data. Validation statistics are compared for experiments that assimilate SSS (sub-optimally as before) versus the SSS@5m. We also compare results of coupled forecasts that are initialized from these reanalyses in spring. For all but the big La Niña in 2017, all NINO3.4 forecasts were improved by using the RIM. We will show that improved SSS estimates upgrades density and near-surface mixing leading to more accurate coupled air/sea interaction and better forecasts.

ENSO↗

STOL ride quality criteria - Passenger acceptance.

The ability to mathematically model human reaction to variables involved in transportation systems offers a very desirable tool both for the prediction of passenger acceptance of proposed systems, and for establishing acceptance criteria for the system designer. As a first step in the development of a general model for STOL systems, a mathematical formulation is presented which accepts as inputs nine variables felt to be important in flight under STOL-type conditions and presents an index of human response as the output. The variables used are three linear motions, three angular motions, pressure, temperature and noise level. The results are used to establish specifications for stability augmentation systems to improve the ride quality of existing STOL aircraft.

Jacobson, I. D.↗

Inferred Sea Level Prediction in the NASA GMAO Seasonal Forecasting System

Reliable predictions of sea level anomalies on seasonal timescales with lead times of 1 to 9 months may have relevance to stakeholders – for example, in the advance deployment of resources for coastal flood mitigation. Routine prediction and analysis may also highlight physical processes associated with sea level change and modeling capabilities on seasonal and other timescales. These forecasts may represent interannual changes in the seasonal slope of the ocean surface, teleconnection effects such as the El Niño/Southern Oscillation phenomenon, and variations in seasonal hydrology including precipitation and coastal runoff. Coupled atmosphere/ocean models are routinely used in the seasonal prediction of temperature anomalies, precipitation anomalies, sea ice cover, and climate indices such as the Niño3.4 predictions under the North American Multi-Model Ensemble (NMME) protocol. Within the limits of their configuration, these complex Earth-system models have a potential for depicting regional changes in oceanic column properties, including the sea surface height. Seasonal prediction models generally have no representation of long-term mass contributions from melting land ice, or changes in vertical land motion; their output may be more specifically characterized as predictions of the ocean dynamic sea level. In practice however, the sea surface height prognostic variable is substantially compromised by the forecast model response to initial conditions. Imbalances between the initial, observed hydrologic cycle and the forecast model state produce abrupt adjustments in the model sea surface height. As a result, most seasonal prediction systems employ a constraint on the globally-averaged sea surface height that is applied at each time step. This essentially renders the prognostic sea surface height variable as unserviceable. Several approaches have previously been used to retrieve sea level information from seasonal forecasts beyond the use of the sea surface height variable. Here, we extend a method of relating other prognostic values, including ocean circulation and climate indices, to observed sea level variations. We use the merged altimetry record of the NASA MEaSUREs Gridded Sea Surface Height Anomalies data set and monthly revised local reference gauge observations from the National Oceanography Centre Permanent Service for Mean Sea Level (PSMSL) to evaluate derived prognostic variables from the NASA Global Modeling and Assimilation Office subseasonal-to-seasonal system version 2.1 (GMAO S2S v2.1). We focus on results for the midlatitudes with particular emphasis on US gauge locations. As shown in previous studies, prognostic ENSO-related indices in boreal winter are well correlated with gauge observations for the US west coast, but also for other locations in the southeastern US. Other forecast climate indices such as the North Atlantic Oscillation have relations to sea level that are limited both seasonally and spatially. As expected, surface atmospheric pressure (e.g., inverse barometer effect) is found to be particularly well correlated with observed sea level. We provide a characterization of forecast skill for seasonal sea level with this method.

Richard I Cullather↗

How AI Predicts the Untrained and Unseen

Focus Area: Model predictability improvements (Primary); Data optimization (secondary); Data complexity insights (secondary). The Scientific Challenge: If we believe that a future under extreme conditions will look very differently from today, we can likely agree that ML/AI models trained on past and present datasets will not be adequate to make reliable predictions into the future. This is true for water cycling, as well as biogeochemistry and other Earth system components and behaviors. Additionally, ML/AI models are inherently non-physical. Despite the flourishing success of ML/AI in many applications, such as computer vision, natural language process, and gaming, even the most sophisticated AI models don’t understand the very basic physical laws. Therefore, a natural question is: Can we trust ML/AI based predictions of Earth system behaviors that are fundamentally driven by physical laws? So, are physics models with meticulous process representation a better choice? Not exactly. Physical models, when firmly rooted in first principles, work great at predicting behaviors of systems with a well-defined set of boundary conditions and variables. However, as a complex system, the number of parameters and the degree of complexity and dynamics in processes, coupling, and scale dependent emergent behaviors make the Earth system behaviors very challenging to predict with physical models composed of deterministic laws. In addition, due to the lack of fundamental understandings, physical models often implement empirical correlations derived from observations with biases from locality of data generation. Because correlation is not necessarily causation or comply with first principles, scaling of model predictions beyond locality is often invalid. Beyond the limitation of models, physics or AI, our knowledge of the Earth system is limited by the lack of observational technologies and resources. Insufficient data density, dimensionality and diversity only offer a sliced (or projected) view of the Earth system, e.g. Plato’s Cave analogy, limiting our capability to better understand and represent fundamental processes in models.

54 ENVIRONMENTAL SCIENCES↗

Predicting Time Series Outputs and Time-to-Failure for an Aircraft Controller Using Bayesian Modeling

Safety of unmanned aerial systems (UAS) is paramount, but the large number of dynamically changing controller parameters makes it hard to determine if the system is currently stable, and the time before loss of control if not. We propose a hierarchical statistical model using Treed Gaussian Processes to predict (i) whether a flight will be stable (success) or become unstable (failure), (ii) the time-to-failure if unstable, and (iii) time series outputs for flight variables. We first classify the current flight input into success or failure types, and then use separate models for each class to predict the time-to-failure and time series outputs. As different inputs may cause failures at different times, we have to model variable length output curves. We use a basis representation for curves and learn the mappings from input to basis coefficients. We demonstrate the effectiveness of our prediction methods on a NASA neuro-adaptive flight control system.

Statistics↗

Continental-Scale Controls on Hyporheic Respiration Revealed by Knowledge-Guided Machine Learning

Hyporheic zone sediments regulate organic matter turnover and in-stream respiration, yet controls on sediment respiration remain poorly constrained across heterogeneous river networks, limiting prediction of stream metabolism and carbon processing at continental scales. Here, we integrate observations from ~90 river corridors across the United States in the WHONDRS consortium with a knowledge-guided machine learning (KGML) framework that couples thermodynamic rate theory with machine learning to identify dominant controls on hyporheic respiration. Diagnostic analyses show that organic matter concentration and thermodynamic favorability define an upper bound on respiration potential, whereas biological catalytic capacity and physical accessibility jointly govern realized respiration rates through interaction effects. To represent unmeasurable accessibility constraints, we use the mechanistic model as a scaffold for KGML, allowing machine learning to target residual structure not explained by process theory. This hybrid framework improves predictive skill relative to both the mechanistic model alone and fully data-driven models while preserving interpretability. These results indicate that variability in hyporheic respiration is largely mechanistically structured and demonstrate how integrating process theory with explainable AI enhances predictive performance while enabling scalable synthesis of river corridor observations.

Zheng, Jianqiu↗

Improving Tornado Casualty Predictions in the US With Population Exposure Data and A Modified Social Vulnerability Index

Tornadoes are frequent and widespread events that often account for hundreds of injuries and fatalities, and millions of dollars in damages. Multiple studies have analyzed tornado climatology and associated exposure; however, fewer have focused on predicting fatalities and injuries by coupling geospatial data on tornado characteristics and underlying social and economic vulnerability. In this study, we test the ability of negative binomial regression models to predict tornado-induced injuries and fatalities by coupling data on physical characteristics of tornadoes, exposure of populations, and underlying social vulnerability. We also present a modified spatially weighted social vulnerability index SVI* wt . We used 10-year (2005-2014) tornado data over the continental United States for this analysis. The results of this study indicate that the tornado length, magnitude and nocturnality seem to be the major hazard-related indicators of fatalities (McFadden’s Pseudo- R 2 ranged from 0.01-0.12). Population exposure and SVI* wt are positive and statistically significant in predicting tornado related fatalities and injuries (Pseudo R 2 of 0.11-0.18). Although combining SVI* wt with hazard variables does not substantially improve model fit when compared to adding population exposure, combining SVI* wt , hazard and exposure results in better predictions of both injuries and fatalities (Pseudo R 2 of 0.17) and is also an improvement on previous similar studies.

disaster↗

Use of Remote Sensing/Geographical Information Systems (RS/GIS) to Identify the Distributional Limits of Soil-Transmitted Helminths (STHs) and Their Association to Prevalence of Intestinal Infection in School-Age Children in Four Rural Communities in Boaco, Nicaragua

STHs can infect all members of a population but school-age children living in poverty are at greater risk. Infection can be controlled with drug treatment, health education and sanitation. Helminth control programs often lack resources and reliable information to identify areas of highest risk to guide interventions and to monitor progress. Objectives: To use RS/GIS to identify the environmental variables that correlate with the ecology of STHs and with the prevalence of STH infections. Methods: Geo-referenced in situ prevalence data will be overlaid over an ecological map derived from the RS environmental data using ESRI s ArcGIS 9.3. Prevalence data and RS environmental data matching at the same geographical location will be analyzed for correlation and those RS environmental variables that better correlate with prevalence data will be included in a multivariate regression model. Temperature, vegetation, and distance to bodies of water will be inferred using data from the Moderate-Resolution Imaging Spectroradiometer (MODIS) onboard the Terra and Aqua satellites, and Thematic Mapper (TM) and Enhance Thematic Mapper Plus (ETM+) satellite sensors onboard Landsat 5 and Landsat 7 respectively. Elevation will be estimated with data from The Shuttle Radar Topography Mission (SRTM). Prevalence and intensity of infections will be determined by parasitological survey (Kato Katz) of children enrolled in rural schools in Boaco, Nicaragua, in the communities of El Roblar, Cumaica Norte, Malacatoya 1, and Malacatoya 2). Expected Results: Associations between RS environmental data and prevalence in situ data will be determined and their applications to public health will be discussed. Discussion/Conclusions: The use of RS/GIS data to predict the prevalence of STH infections could be useful for helminth control programs, providing improved geographical guidance of interventions while increasing cost-effectiveness. Learning Objectives: (1) To identify the RS environmental variables that can help predict the prevalence of STH infections. (2) To understand potential applications of RS/GIS to national helminth control programs. (3) To asses the applicability of RS/GIS to control STH infections.

Moreno, Max J.↗

Updates to Relevance Vector Machine: Multiclass Classification, Variable Selection, and Proof-of-Concept Application to Safeguards Fresh Fuel Verification using List-Mode Neutron Collar Data

To expand the capabilities of safeguards authorities to verify the integrity of fresh fuel assemblies, Oak Ridge National Laboratory has retrofit the existing electronics of the JCC-71 uranium neutron coincidence collar, which contains 18 3 He neutron detectors and an external 241 AmLi(α, n) neutron interrogation source arranged to surround a fresh nuclear fuel assembly. The new electronics system allows analysts to record list-mode neutron multiplicity data in addition to the singles and doubles rates that are currently measured. Based on previous proof-of-concept research, analysis of these new data will identify off-normal fuel configurations in an assembly and characterize or localize the specific partial fuel defects. The purpose of this report it to document the analysis algorithm development and then to demonstrate its capability for the safeguards verification of fresh fuel assemblies using list mode neutron collar data. To analyze the complex list-mode data collected with the upgraded uranium neutron collar, multivariate classification algorithms are being developed using a novel classification method, the relevance vector machine. This approach may be applied to multiclass problems to estimate the probability that test data belongs to one of many possible classes of data. In addition, our method identifies the most useful variables/channels for making predictions, which illuminates the basis for the model’s predictions, and this interpretability is largely unique among data analytics methods. Variable selection occurs during model training and parameter tuning and does not need any external hyperparameter tuning routines. Finally, we apply the modified relevance vector machine to a simulated dataset of list-mode neutron collar data generated with the radiation transport code MCNP. The method can correctly identify off-normal fuel configurations, categorize the data according to four fuel defect scenarios, and rank the channels in the data according to prediction utility. For nuclear safeguards applications, it is concluded that this method has the potential to increase the sensitivity and reliability to detect missing fuel rods from a standard 17 x 17 Pressurized Water Reactor (PWR) fresh fuel assembly. Within this analysis, “off-normal” (i.e., missing fuel rods) were correctly classified in 17 simulated test scenarios with one quarter (25%) of the fresh fuel rods missing using a training data set of 58 simulated measurements.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Synthesis and Characterization of Magnesium Vanadates as Potential Magnesium‐Ion Cathode Materials through an Ab Initio Guided Carbothermal Reduction Approach**

Abstract Many technologically relevant materials for advanced energy storage and catalysis feature reduced transition‐metal (TM) oxides that are often nontrivial to prepare because of the need to control the reducing nature of the atmosphere in which they are synthesized. Herein, we show that an ab initio predictive synthesis strategy can be used to produce multi‐gram‐scale products of various MgV x O y ‐type phases (δ‐MgV 2 O 5 , spinel MgV 2 O 4 , and MgVO 3 ) containing V 3+ or V 4+ relevant for Mg‐ion battery cathodes. Characterization of these phases using 25 Mg solid‐state NMR spectroscopy illustrates the potential of 25 Mg NMR for studying reversible magnesiation and local charge distributions. Rotor‐assisted population transfer (RAPT) is used as a much‐needed signal‐to‐noise enhancement technique. The ab initio guided synthesis method is seen as a step forward towards a predictive synthesis strategy for targeting specific complex TM oxides with variable oxidation states of technological importance.

Lee, Jeongjae↗

Synthesis and Characterization of Magnesium Vanadates as Potential Magnesium-Ion Cathode Materials through an Ab Initio Guided Carbothermal Reduction Approach**

Many technologically relevant materials for advanced energy storage and catalysis feature reduced transition-metal (TM) oxides that are often nontrivial to prepare because of the need to control the reducing nature of the atmosphere in which they are synthesized. In this report, we show that an ab initio predictive synthesis strategy can be used to produce multi-gram-scale products of various MgV x O y -type phases (δ-MgV 2 O 5 , spinel MgV 2 O 4 , and MgVO 3 ) containing V 3+ or V 4+ relevant for Mg-ion battery cathodes. Characterization of these phases using 25 Mg solid-state NMR spectroscopy illustrates the potential of 25 Mg NMR for studying reversible magnesiation and local charge distributions. Rotor-assisted population transfer (RAPT) is used as a much-needed signal-to-noise enhancement technique. The ab initio guided synthesis method is seen as a step forward towards a predictive synthesis strategy for targeting specific complex TM oxides with variable oxidation states of technological importance.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Measurement of the Z boson production cross-section in proton-lead collisions at $\sqrt{s_{\textrm{NN}}}$ = 8.16 TeV

This article presents the first measurement of the differential Z-boson production cross-section in the forward region using proton-lead collisions with the LHCb detector. The dataset was collected at a nucleon-nucleon centre-of-mass energy of $\sqrt{s_{NN}}$ = 8.16 TeV in 2016, corresponding to an integrated luminosity of 30.8 nb –1 . The forward-backward ratio and the nuclear modification factors are measured together with the differential cross-section as functions of the Z boson rapidity in the centre-of-mass frame, the transverse momentum of the Z boson and a geometric variable $\phi$*. The results are in good agreement with the predictions from nuclear parton distribution functions, providing strong constraining power at small Bjorken-x.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Model-parallel Fourier neural operators as learned surrogates for large-scale parametric PDEs

Fourier neural operators (FNOs) are a recently introduced neural network architecture for learning solution operators of partial differential equations (PDEs), which have been shown to perform significantly better than comparable deep learning approaches. Once trained, FNOs can achieve speed-ups of multiple orders of magnitude over conventional numerical PDE solvers. However, due to the high dimensionality of their input data and network weights, FNOs have so far only been applied to two-dimensional or small three-dimensional problems. To remove this limited problem-size barrier, we propose a model-parallel version of FNOs based on domain-decomposition of both the input data and network weights. Here, we demonstrate that our model-parallel FNO is able to predict time-varying PDE solutions of over 2.6 billion variables on Perlmutter using up to 512 A100 GPUs and show an example of training a distributed FNO on the Azure cloud for simulating multiphase CO 2 dynamics in the Earth’s subsurface.

58 GEOSCIENCES↗

Evaluation of semi-empirical soot models for nonpremixed flames with increased stoichiometric mixture fraction and strain

Due to the size and complexity of industrial-scale systems and computing limitations, semi-empirical soot models are often employed in CFD simulations rather than computationally-expensive detailed models. Many of these models were developed for specific applications with unique characteristic timescales and/or validated only under fuel-air combustion conditions. Hence, their use in different contexts, such as oxy-combustion, could lead to inaccurate predictions. In this study, twelve semi-empirical models (1-step or 2-step) are evaluated on their ability to respond to changes in stoichiometric mixture fraction (Z st ) and strain in a series of ethylene counterflow flames which span the experimental sooting-to-non-sooting (yellow to blue) transition. A unique approach of plotting soot formation rate in normalized, local equivalence ratio space is introduced to aid in the analysis. Results show that no existing model is able to predict a blue flame when Z st is increased beyond the experimentally-measured sooting limit. Many models give the counter-intuitive result of increasing peak and/or integrated soot volume fraction (svf) as Z st increased, contrary to experimental observations. Two models are able to successfully predict a blue flame upon increase of strain to the sooting limit value. For two-step models, the strong dependence of growth rate on surface area results in high sensitivity of svf to changing flame boundary conditions, but with mixed accuracy. There is still a significant need for a robust semi-empirical model which can accurately predict soot fraction in systems with oxygen-enrichment or variable strain.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗