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At least 1,495 records · Page 83

Development and numerical/experimental characterization of a lab-scale flat flame reactor allowing the analysis of pulverized solid fuel devolatilization and oxidation at high heating rates

This paper deals with the thorough characterization of a new experimental test bench designed to study the devolatilization and oxidation of pulverized fuel particles in a wide range of operating conditions. This lab-scale facility is composed of a fuel feeding system, the functioning of which has been optimized by computational fluid dynamics. It allows delivering a constant and time-independent mass flow rate of fuel particles which are pneumatically transported to the central injector of a hybrid McKenna burner using a carrier gas stream that can be inert or oxidant depending on the targeted application. A premixed propane/air laminar flat flame stabilized on the porous part of the burner is used to generate the hot gases insuring the heating of the central coal/carrier-gas jet with a thermal gradient similar to those found in industrial combustors (>10{sup 5} K/s). In the present work, results issued from numerical simulations performed a priori to characterize the velocity and temperature fields in the reaction chamber have been analyzed and confronted with experimental measurements carried out by coupling particle image velocimetry, thermocouple and two-color pyrometry measurements so as to validate the order of magnitude of the heating rate delivered by such a new test bench. Finally, the main features of the flat flame reactor we developed have been discussed with respect to those of another laboratory-scale system designed to study coal devolatilization at a high heating rate.

42 ENGINEERING↗

Preliminary Pilot-scale Study and Techno-economic Analysis of Chemical Heat Pump with Conventional Nuclear Reactors

The energy economy is continually evolving, particularly in terms of primary energy sources, their conversions to useful forms such as electricity and heat, and their utilization in different sectors, in response to socio-political factors. Because nuclear source is clean and non-carbon-emitting energy source, it is crucial to consider its role in the evolution of the energy economy. A pilot-scale study was conducted for Chemical Heat Pump (ChHP) system at three different scales (25-, 100-, and 1000-kW thermal outputs) using steady state thermal model. To establish the viability of selling heat rather than electricity alone, techno-economic analysis was undertaken for advanced Small Modular Reactor (SMR), and SMR paired with varied thermal output ChHP systems was referred to as the nuclear hybrid energy system (NHES) in this study. Using the U.S. Energy Information Administration statistics, pricing for electricity and natural gas were anticipated for U.S. regions (California, Northwest, Midwest, Southwest, New England, and PJM). Based on thermal output from ChHP, advanced SMR with 100 MWth and four alternative NHES scenarios were explored, namely 50-, 10-, 5-, and 1-MWth. Net present value, payback period, discounted cash flow return, and levelized cost of energy were evaluated for all scenarios. Based on the economic analysis, selling heat to high-temperature industrial processes is more profitable compared to selling electricity only. Higher carbon taxes showed significant improvement in economic parameters for NHESs. Providing heat to high-temperature industries could be beneficial, helping to reduce the greenhouse gas emissions by slashing the fossil fuel consumption.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

ARCH: Large-scale knowledge graph via aggregated narrative codified health records analysis

Objective: Electronic health record (EHR) systems contain a wealth of clinical data stored as both codified data and free-text narrative notes (NLP). The complexity of EHR presents challenges in feature representation, information extraction, and uncertainty quantification. Here, to address these challenges, we proposed an efficient Aggregated naRrative Codified Health (ARCH) records analysis to generate a large-scale knowledge graph (KG) for a comprehensive set of EHR codified and narrative features. Methods: Using data from 12.5 million Veterans Affairs patients, ARCH first derives embedding vectors and generates similarities along with associated p-values to measure the strength of relatedness between clinical features with statistical certainty quantification. Next, ARCH performs a sparse embedding regression to remove indirect linkage between features to build a sparse KG. Finally, ARCH was validated on various clinical tasks, including detecting known relationships between entity pairs, predicting drug side effects, disease phenotyping, as well as sub-typing Alzheimer’s disease patients. Results: ARCH produces high-quality clinical embeddings and KG for over 60,000 codified and narrative EHR concepts. The KG and embeddings are visualized in the R-shiny powered web-API.3 ARCH achieved high accuracy in detecting EHR concept relationships, with AUCs of 0.926 (codified) and 0.861 (NLP) for similar EHR concepts, and 0.810 (codified) and 0.843 (NLP) for related pairs. It detected drug side effects with a 0.723 AUC, which improved to 0.826 after fine-tuning. Using both codified and NLP features, the detection power increased significantly. Compared to other methods, ARCH has superior accuracy and enhances weakly supervised phenotyping algorithms’ performance. Notably, it successfully categorized Alzheimer’s patients into two subgroups with varying mortality rates. Conclusion: The proposed ARCH algorithm generates large-scale high-quality semantic representations and knowledge graph for both codified and NLP EHR features, useful for a wide range of predictive modeling tasks.

Electronic health records↗

The Additive Manufacturing Moment Measure - A Parallel Computation Technique for Determining Build Variance in the Laser Powder Bed Fusion Process

Additive manufacturing (AM) has unique process attributes that facilitate the creation of optimized, complex, and unique parts for aerospace applications. However, the multi-scale and complicated building process for AM parts can cause unexpected build conditions that result in microstructural variability within the deposited material. The need for richer datasets and computational modeling capabilities to improve AM process reliability is a consequence of this microstructural variability. A computational approach, referred to as the Additive Manufacturing Moment Measure (AM3), addresses this need by leveraging the way AM processes fuse material in precise, incremental steps. During the layering sequence, each previous step contributes to the condition of the current step at the center of the heat source. The precise steps can be selected to systematically create a time-space point field with co-located machine input and in-situ sensor data. The sequential nature of the AM process, coupled with nearest neighbor calculations, allows for a fully parallel computation for part-scale build profile analysis. The AM3 concept introduced here enables part-scale assessment directly from build files and in-situ process monitoring sensors alike. The AM moment measures were calculated for build point fields and compared with co-located in-situ and ex-situ nondestructive evaluation and optical microscopy observations. These comparisons permit a better understanding of how the sequential process actions can affect the quality of a laser powder bed fusion (LPBF) build. Details of the AM3technique will be discussed and compared to measured LPBF part characteristics. The AM3 results indicate a strong potential to advance the qualification process for aerospace applications.

Additive Manufacturing↗

High-Activity Microscopic Nuclear-Sourced Particles to Investigate Nuclear Release Scenarios - 18026

Advances in microscopy and materials analysis have allowed for the study of materials at resolutions not previously attainable a decade ago. Such information extends to not only their existence, but also their composition, the likely source term and if applicable, their short or long-term environmental stability. This work describes the analysis undertaken on the larger 'ejecta' type of particulate collected following the INES Level 7 incident at the Fukushima Daiichi Nuclear Power Plant in March 2011. However, the methods and procedures employed during this work, on material with enormously contrasting characteristics, have far wider applications within nuclear forensics, safeguards, security and material compliance. Resulting from the analysis of micron-scale 'atmospheric' material in previous works have been able to derive information relating to the emission and subsequent transportation characteristics of the release event, as well as determining the local-scale impacts of this radioactive fallout. This analysis of the larger-scale (100's of micron) 'ejecta' material, collected from closer to the plant, has been able to reveal details pertaining to the specific in-reactor conditions at the time of the release as well as the nature of the explosion events. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Adaptive time scaling for accelerating explicit finite element analysis

A method for accelerating an explicit finite element analysis (FEA) simulation of a modeled system or process includes performing an initial iteration of the FEA simulation according to a baseline time interval via an FEA computing network, and calculating a criteria ratio of a predetermined set of scaling criteria for the modeled system or process. The method includes determining a time-scaling factor using the criteria ratio via the FEA computing network as a function of the criteria ratio, and then applying the time-scaling factor to the baseline time interval to generate a scaled time interval. The scaled time interval accelerates simulation time of the FEA simulation. The method includes performing a subsequent iteration of the explicit FEA simulation at the scaled time interval using the FEA computing network. The process continues for subsequent iterations, with the time-scaling factor adapting with each iteration.

Chen, Jian↗

Creation of the VADER Code in SCALE [Abstract]

The VADER (Validation Analysis Data Evaluation Resource) is a new module in SCALE 6.3 that has been derived from the legacy USLSTATS program. VADER is a tool that allows the determination of bias and bias uncertainty for criticality safety computational methods. The older USLSTATS program, written in Java, existed outside of SCALE and provided tools to calculate only the confidence band with administrative margin (sometimes called USL-1) and the single-sided uniform width closed interval (USL-2). For normality testing it only offered a crude chi- squared normality test that had no user-configurable options and presented a simple pass/no-pass functionality.

97 MATHEMATICS AND COMPUTING↗

NASA GEOS-3/TRMM Re-analysis: Capturing Observed Tropical Rainfall Variability in Global Analysis for Climate Research

Understanding climate variability over a wide range of space-time scales requires a comprehensive description of the earth system. Global analyses produced by a fixed assimilation system (i.e., re-analyses) - as their quality continues to improve - have the potential of providing a vital tool for meeting this challenge. But at the present time, the usefulness of re-analyses is limited by uncertainties in such basic fields as clouds, precipitation, and evaporation - especially in the tropics, where observations are relatively sparse. Analyses of the tropics have long been shown to be sensitive to. the treatment of cloud precipitation processes, which remains a major source of uncertainty in current models. Yet, for many climate studies it is crucial that analyses can accurately reproduce the observed rainfall intensity and variability since a small error of 1 mm/d in surface rain translates into an error of approx. 30 W/sq m in energy (latent heat) flux. Currently, discrepancies between the observed and analyzed monthly-mean rain rates averaged to 100 km x 100 km resolution can exceed 4 mm/d (or 120 W/sq m ), compared to uncertainties in surface radiative fluxes of approx. 10-20 W/sq m . Improving precipitation in analyses would reduce a major source of uncertainty in the global energy budget. Uncertainties in tropical precipitation have also been a major impediment in understanding how the tropics interact with other regions, including the remote response to El Nino/Southern Oscillation (ENSO) variability on interannual time scales, the influence of Madden-Julian Oscillation (MJO) and monsoons on intraseasonal time scales. A global analysis that can replicate the observed precipitation variability together with physically consistent estimates of other atmospheric variables provides the key to breaking this roadblock. NASA Goddard Space Flight Center has been exploring the use of satellite-based microwave rainfall measurements in improving global analyses and has recently produced a multi-year, 1 x 1 TRMM re-analysis , which assimilates 6-hourly TMI and SSM/I surface rain rates over tropical oceans using a ID variational continuous assimilation (VCA) procedure in the GEOS-3 global data assimilation system. The analysis period extends from 1 November 1997 through 3 1 December 2002. The goal is to produce a multi-year global analysis that is dynamically consistent with available tropical precipitation observations for the community to assess its utility in climate applications and identify areas for further improvements. A distinct feature of the GEOS-3RRMh4 re-analysis is that its precipitation analysis is not derived from a short-term forecast (as done in most operational systems) but is given by a time- continuous model integration constrained by precipitation observations within a 6-h analysis window, while the wind, temperature, and pressure fields are allowed to directly respond to the improved precipitation and associated latent heating structures within the same analysis window. In this talk, I will assess the impact VCA precipitation assimilation on analyses of climate signals ranging from a few weeks to interannual time scales and compare results against other operational and reanalysis products.

Hou, Arthur Y.↗

In-Situ Feature Extraction of Large Scale Combustion Simulations Using Segmented Merge Trees, In: SC '14: Proceedings of the International Conference for High Performance Computing, Networking, Storage and Analysis

The ever increasing amount of data generated by scientific simulations coupled with system I/O constraints are fueling a need for in-situ analysis techniques. Of particular interest are approaches that produce reduced data representations while maintaining the ability to redefine, extract, and study features in a post-process to obtain scientific insights. This paper presents two variants of in-situ feature extraction techniques using segmented merge trees, which encode a wide range of threshold based features. The first approach is a fast, low communication cost technique that generates an exact solution but has limited scalability. The second is a scalable, local approximation that nevertheless is guaranteed to correctly extract all features up to a predefined size. We demonstrate both variants using some of the largest combustion simulations available on leadership class supercomputers. Our approach allows state-of-the-art, feature-based analysis to be performed in-situ at significantly higher frequency than currently possible and with negligible impact on the overall simulation runtime.

Computer Science↗

An automated analysis workflow for optimization of force-field parameters using neutron scattering data

Graphical abstract: - Highlights: • An automated workflow to optimize force-field parameters. • Used the workflow to optimize force-field parameter for a system containing nanodiamond and tRNA. • The mechanism relies on molecular dynamics simulation and neutron scattering experimental data. • The workflow can be generalized to any other experimental and simulation techniques. - Abstract: Large-scale simulations and data analysis are often required to explain neutron scattering experiments to establish a connection between the fundamental physics at the nanoscale and data probed by neutrons. However, to perform simulations at experimental conditions it is critical to use correct force-field (FF) parameters which are unfortunately not available for most complex experimental systems. In this work, we have developed a workflow optimization technique to provide optimized FF parameters by comparing molecular dynamics (MD) to neutron scattering data. We describe the workflow in detail by using an example system consisting of tRNA and hydrophilic nanodiamonds in a deuterated water (D{sub 2}O) environment. Quasi-elastic neutron scattering (QENS) data show a faster motion of the tRNA in the presence of nanodiamond than without the ND. To compare the QENS and MD results quantitatively, a proper choice of FF parameters is necessary. We use an efficient workflow to optimize the FF parameters between the hydrophilic nanodiamond and water by comparing to the QENS data. Our results show that we can obtain accurate FF parameters by using this technique. The workflow can be generalized to other types of neutron data for FF optimization, such as vibrational spectroscopy and spin echo.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Novel Inorganic/Polymer Composite Membranes for CO 2 Capture

The objective of this project is to develop a cost-effective design and manufacturing process for new membrane modules that capture CO 2 from flue gas in coal-fired power plants. The membrane consisted of a thin selective layer including inorganic (zeolite) embedded in a polymer structure so that it can be made in a continuous manufacturing process. The membrane was incorporated in spiral-wound modules for the field test with actual flue gas at the National Carbon Capture Center (NCCC) in Wilsonville, AL and bench scale tests with simulated flue gas at the Ohio State University (OSU). Using the modules for post-combustion CO 2 capture is expected to achieve the DOE target of $40/tonne CO 2 captured (in 2007 dollar) for 2025. Membranes with the amine-containing polymer cover layer on zeolite-Y (ZY) nanoparticles deposited on the polyethersulfone (PES) substrate were successfully synthesized. The membranes showed a high CO 2 permeance of about 1100 GPU (gas permeation unit, 1 GPU = 10 -6 cm 3 (STP)/(cm 2 • s • cm Hg), 3000 GPU = 10-6 mol/(m 2 • s • Pa)) with a high CO 2 /N 2 selectivity of > 200 at the typical flue gas conditions at 57°C (about 17% water vapor in feed gas) and > 1400 GPU CO 2 permeance with > 500 CO 2 /N 2 selectivity at 102°C (~ 80% water vapor). The synthesis of ZY nanoparticles was successfully scaled up, and the pilot-scale membranes were also successfully fabricated using the continuous membrane machine at OSU. The transport performance of the pilot-scale membranes agreed reasonably well with the lab-scale membranes. The results from both the lab-scale and scale-up membranes were used for the techno-economic analysis. The scale-up membranes were fabricated into prototype spiral-wound membrane modules for continuous testing with simulated or real flue gas. For real flue gas testing, we worked with NCCC, in consultation with TriSep Corporation, Gradient Technology and American Electric Power (AEP). The membrane module demonstrated > 800 GPU of CO 2 permeance and > 150 CO 2 /N 2 selectivity when tested with real flue gas at NCCC. The results obtained were used to update the techno-economic analysis. In addition, the EH&S assessment of the membranes for post-combustion CO 2 capture was conducted.

20 FOSSIL-FUELED POWER PLANTS↗

Separability of microtearing mode and electron temperature gradient turbulence regimes

The separability of microtearing mode (MTM)-dominated and electron temperature gradient (ETG)-driven turbulence regimes is studied with multiscale nonlinear gyrokinetic simulations. The simulations are based on National Spherical Torus Experiment-like, high-confinement mode pedestal parameters, where electromagnetic perturbations are large. Linear analysis indicates a wide scale-separation between the MTM and ETG modes in binormal wavenumber space (perpendicular to the magnetic field line), with no unstable modes at intermediate scales. Likewise, single-scale nonlinear analyses, retaining ion-only or electron-only spatio-temporal scales, produce seemingly well-converged transport states. Surprisingly, the multiscale simulation, which contains both the ion and electron scales, closely follows the transport from the electron-scale simulation. This trend is robust over a wide range of electron temperature gradient. Remarkably, compared to ion-scale simulations, MTM turbulence is significantly reduced at multiscale resolution even when ETG turbulence is low. In this case, traditional ion-scale resolution overestimates the electron energy flux, and it is not possible to accurately simulate the MTM turbulence with separable ion-scale simulations. Here, while the analysis confirms the validity of electron-scale simulations for predicting the electron transport, it also indicates that multiscale simulation may be required for reproducing the turbulence spectrum for systems with coupled MTM-ETG turbulence.

H-mode↗

Economic and Performance Analysis of Gear Box Failures. Cooperative Research and Development Final Report, CRADA Number CRD-07-236

The National Renewable Energy Laboratory (NREL) in Golden, CO, USA is forming a collaborative within the wind energy industry to address reliability issues on wind turbines. The National Wind Technology Center (NWTC), leading the collaborative effort, will allow gearbox manufacturers, bearing manufacturers, wind turbine owner/operators, and wind turbine manufacturers to team up for joint projects that address specific issues regarding design and reliability of wind turbine gearboxes. The primary means of investigation will be through full scale testing and analysis of actual gearboxes, both in the field and in the NREL 2.5 MW dynamometer test facility. These teams would contribute resources into a campaign that is intended to serve the mutual interests of a majority of the wind and gearbox industry stakeholders in addition to the specific project team objectives. that address specific issues regarding design and reliability of wind turbine gearboxes. The primary means of investigation will be through full scale testing and analysis of actual gearboxes, both in the field and in the NREL 2.5 MW dynamometer test facility. These teams would contribute resources into a campaign that is intended to serve the mutual interests of a majority of the wind and gearbox industry stakeholders in addition to the specific project team objectives.

17 WIND ENERGY↗

Modeling and Analysis of a One-Third Scale Used Nuclear Fuel Package 30 cm Drop

This paper compares finite element models of used nuclear fuel package drop tests to actual test data recorded in a recent test campaign. In December of 2018, the US Department of Energy collaborated with Equipos Nucleares S.A, S.M.E (ENSA) and Bundesanstalt für Materialforschung und -prüfung (BAM) to perform 30 cm horizontal drop tests of a one-third scale model of the ENSA ENUN 32P dual-purpose used nuclear fuel package. The third-scale test package included a third-scale basket and simulated third-scale fuel assemblies that were instrumented with accelerometers to measure their individual impact responses. Two horizontal package drop tests were performed, one with the basket cells oriented parallel and perpendicular to the impact surface, and one with the basket rotated 45 degrees to change the relative orientation with the impact surface. This paper describes the modeling and analysis that supported the development of the test and instrumentation plan, such as which fuel assemblies should be instrumented and at what locations on each fuel assembly should the accelerometers be placed. Pre-test predictions based on finite element modelling are discussed, and a comparison against the actual test data is made. Post-test analysis and model refinement are also discussed, with the goal of identifying best practices and lessons learned. A separate paper by Kalinina et al., to be presented at this conference, more fully describes the test configuration and test results. This paper is focused on the numerical modeling that supported the test and the lessons learned about realistically modeling this type of physical test.

Klymyshyn, Nicholas A.↗

Genotype–environment associations across spatial scales reveal the importance of putative adaptive genetic variation in divergence

Abstract Identifying areas of high evolutionary potential is a judicious strategy for developing conservation priorities in the face of environmental change. For wide‐ranging species occupying heterogeneous environments, the evolutionary forces that shape distinct populations can vary spatially. Here, we investigate patterns of genomic variation and genotype–environment associations in the hermit thrush ( Catharus guttatus ), a North American songbird, at broad (across the breeding range) and narrow spatial scales (at a hybrid zone). We begin by building a genoscape or map of genetic variation across the breeding range and find five distinct genetic clusters within the species, with the greatest variation occurring in the western portion of the range. Genotype–environment association analyses indicate higher allelic turnover in the west than in the east, with measures of temperature surfacing as key predictors of putative adaptive genomic variation rangewide. Since broad patterns detected across a species' range represent the aggregate of many locally adapted populations, we investigate whether our broadscale analysis is consistent with a finer scale analysis. We find that top rangewide temperature‐associated loci vary in their clinal patterns (e.g., steep clines vs. fixed allele frequencies) across a hybrid zone in British Columbia, suggesting that the environmental predictors and the associated candidate loci identified in the rangewide analysis are of variable importance in this particular region. However, two candidate loci exhibit strong concordance with the temperature gradient in British Columbia, suggesting a potential role for temperature‐related barriers to gene flow and/or temperature‐driven ecological selection in maintaining putative local adaptation. This study demonstrates how patterns identified at the broad (macrogeographic) scale can be validated by investigating genotype–environment correlations at the local (microgeographic) scale. Furthermore, our results highlight the importance of considering the spatial distribution of putative adaptive variation when assessing population‐level sensitivity to climate change and other stressors.

59 BASIC BIOLOGICAL SCIENCES↗

Improved subgrid-scale models for large-eddy simulation

The paper analyzes models for subgrid-scale turbulence. The analysis indicates that there is sufficient information in the resolved scales to determine some characteristics of the complete flow field. The kinetic energy of the small-scale motions can be decomposed into two parts: one results from the large scales and is correlated with them, and the other part is uncorrelated which leads to a two-component eddy-viscosity model. The 'production equals dissipation' argument does not apply to the small scales in the decay of turbulence because it does not account for the uncorrelated component. The exchange between the large and small scales takes place mainly between the smallest scales of the former and the largest scales of the latter; this argument is the basis of a new model shown to be superior to the Smagorinsky model (1963).

Bardina, J.↗

PMP-1: A coordinated study of the behavior of the middle atmosphere in winter

The following observations of the middle atmosphere were available regularly: radiosonde data distributed through arrangements made by the World Meteorological Organization (WMO); radiosonde data; and the infrared radiances of the SSU (stratospheric sounding unit onboard the operational NOAA satellites). Other data of more experimental nature which are or will become available are, data from the Nimbus-7 satellite, especially from the Stratosphere and Mesospheric Sounder (SAMS) and the Limb Infrared Monitor of the Stratosphere (LIMS), but only for the winter of 1978 to 1979. These data are collected and integrated into the large-scale meteorological field analysis. Parameters necessary for the understanding of the large-scale dynamics of the middle atmosphere are derived.

Labitzke, K.↗