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At least 1,045 records · Page 58

Streaming Data from Experimental Facilities to Supercomputers for Real-Time Data Processing

In this paper we demonstrate direct data streaming from instruments and detectors at a large-scale experimental facility to a supercomputer for real-time data processing and feedback. Streaming data to supercomputers introduces the potential for novel scientific applications and workflow models, including the ability to provide real-time feedback from very large datasets during an experiment and the integration of real-time ML training and inference at scale. We discuss a successful demonstration for real-time processing of data from the Advanced Photon Source (APS) on the Polaris supercomputer using an EPICS-based streaming framework. We describe the capabilities of the streaming framework itself, and outline the architecture that allows us to process experimentally derived data on a supercomputer without file-based data transfers. We present throughput measurements that are indicative of system performance capable of sustaining the expected data production rates of the facility, as well as discuss some outstanding challenges and our future directions.

real-time processing↗

Understanding Processes Controlling the Temporal and Spatial Variations of PBL Structures Over the ARM SGP Site

The surface heat, moisture, and momentum fluxes are transferred to the atmosphere above through the planetary boundary layer (PBL), where vertical mixing due to turbulent eddies of different sizes plays critical roles. Therefore, reliably representing PBL processes in numerical models is critical for weather, climate, and air quality prediction. Currently, there are over ten PBL schemes that are selectable within the advanced research version of the Weather Research and Forecasting (WRF) model, indicative of the challenges in capturing the impacts of turbulence within the PBL in models. Further improvements in PBL parameterizations are needed for both weather and climate models, as emphasized in many recent national reports, but require an advanced understanding of the underlying boundary layer processes from observations. This project takes advantage of Department of Energy (DOE) Atmospheric Radiation Measurement (ARM) investments in the atmospheric boundary layer observations and Large-Eddy Simulation (LES) ARM Symbiotic Simulation and Observation (LASSO) simulations to characterize PBL structures, understand key physical processes controlling the mixed layer development, and to evaluate PBL parameterization.

54 ENVIRONMENTAL SCIENCES↗

Development of a high-temperature Inconel 625 heat exchanger by model design and binder jetting additive manufacturing

A nickel-based Inconel 625 superalloy heat exchanger for high-temperature applications was developed via binder jetting additive manufacturing. The material properties were characterized first on printed and sintered parts. Two sintering temperatures were used to investigate the effects of the temperature on densification and microstructure. For channel geometry design, the heat transfer capabilities of the heat exchanger were optimized for the cross-section geometry of fluid flow channels in a counterflow configuration, and a stress analysis was conducted to investigate the effects of channel geometry. After headers were incorporated into the heat exchanger as a one-piece component, a prototype was printed. A complete depowdering was achieved via compressed air blowing, and sintering was performed with the developed profile. Ultimately, a one-piece heat exchanger with a nearly full density was obtained. Heat transfer tests were performed on this unit, and the results were compared with those from the simulations. In this study, systematic processes were developed for an additively manufactured Inconel-based heat exchanger for high-pressure, high-temperature heat transfer applications.

36 MATERIALS SCIENCE↗

Detecting anomalous packets in network transfers: investigations using PCA, autoencoder and isolation forest in TCP

Large-scale scientific workflows rely heavily on high-performance file transfers. These transfers require strict quality parameters such as guaranteed bandwidth, no packet loss or data duplication. To have successful file transfers, methods such as predetermined thresholds and statistical analysis need to be done to determine abnormal patterns. Network administrators routinely monitor and analyze network data for diagnosing and alleviating these, making decisions based on their experience. However, as networks grow and become complex, monitoring large data files and quickly processing them, makes it improbable to identify errors and rectify these. Abnormal file transfers have been classified by simply setting alert thresholds, via tools such as PerfSonar and TCP statistics (Tstat). This paper investigates the feasibility of unsupervised feature extraction methods for identifying network anomaly patterns with three unsupervised classification methods—principal component analysis, autoencoder and isolation forest. Here, we collect file transfer statistics from two experiment sets—synthetic iPerf generated traffic and 1000 Genome workflow runs, with synthetically introduced anomalies. Our results show that while PCA and a simple autoencoder finds it difficult to detect clusters, the tree-variant isolation forest is able to identify anomalous packets by breaking down TCP traces into tree classes early.

97 MATHEMATICS AND COMPUTING↗

Radiation transfer in the spectra of short-pulse laser-heated targets

The conditions in laser-produced plasmas are frequently determined with x-ray spectroscopy by comparing calculated to measured spectra. Line spectra from K-shell transitions of low- to mid-atomic number elements are most often used since the important physical processes are well understood and reliable spectra can be readily measured and calculated. Radiation transfer effects due to large optical depths of strong lines can influence the spectra. In this work, the effects of radiation transfer on the emission spectra of short-laser pulse-heated targets are studied. The possible errors made in inferring electron temperature by not including radiation transfer are quantified. The inclusion of radiative transfer in spectral calculations improves the accuracy of typical temperature diagnostics and allows the use of strong lines for diagnostics.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

FY23 Progress Report on Viscosity and Thermal Conductivity Measurements of Molten Salts

As presented in this report, thermal conductivity and viscosity measurements were performed on key chloride pseudo-binary molten salt systems of relevance to molten salt reactor developers. Thermal conductivity measurements were conducted with a variable gap technique, in which a known heat flux is driven across a molten salt specimen and the temperature difference is measured, allowing calculation of the thermal conductivity. This is achieved by establishing a small gap between the bottom of a cylindrical inner containment, which houses electrical heating elements, and an outer containment, which houses cooling channels; the gap size can be varied by compression of a formed bellows. A new calibration scheme was developed herein, involving a correction factor to the heat flux based on He measurements at various temperatures. Furthermore, the data processing methodology was improved to minimize the impact of radiative heat transfer in the calculation of salt specimen thermal conductivity from the temperature difference measurements. Viscosity measurements were conducted with a rolling ball viscometer, in which a ball rolls some known distance in an angled tubular crucible, and the terminal velocity can be used to calculate the viscosity of the salt. The measurement can be performed in a quartz crucible, with which a standard camera can be used to track the ball, or in a metal crucible, with which x-ray radiography is required to track the ball. A new custom x-ray system was made and dedicated to the rolling ball viscometer to enable high throughput automated measurements with salts which require containment with metal. Both systems have been integrated with a ventilation stack which allows for off-gassing of radioactive material, enabling future measurements with U-bearing salts. The thermal conductivity measurements performed herein were with NaCl-KCl (44 mol% NaCl). This salt system was measured in the previous fiscal year, however the thermal conductivity values obtained were comparatively low, and so the system was remeasured with the aforementioned calibration scheme and improved post-processing techniques. The newly obtained thermal conductivity values for NaCl-KCl (44 mol% NaCl) indicate good agreement with kinetic theory and ab-initio models (within 5–10 %). The viscosity measurements performed herein were with three different compositions of NaCl-KCl: 75, 50, and 25 mol% NaCl; a new calibration scheme was applied to account for variable flow effects in the laminar regime. The results show reasonable agreement with literature (5–20 %, depending on the temperature, composition, and study); however, literature values are likely higher than true values based on pure end-member measurements performed in the comparative studies. The measurements conducted herein do show a trend such that viscosity increases with increasing NaCl concentration, which agrees well with one of two comparative studies. In general, the measurements conducted herein gives confidence in the capability to use these systems to accurately measure thermal conductivity and viscosity of actinide-bearing salts within the next fiscal year.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Evaluation of the Impact of Additional Manganese from the Recycle Collection Tank (RCT) Glycolate Destruction Process on Glass Properties

The Defense Waste Processing Facility (DWPF) is planning to implement glycolic acid as a reductant within the waste processing flowsheet. An assessment of the glycolic acid flowsheet has revealed the potential for thermolytic production of hydrogen in the Concentration, Storage and Transfer Facilities (CSTF) from glycolate entrained in the DWPF recycle stream. To mitigate this potential scenario, a glycolate destruction process utilizing sodium permanganate (NaMnO 4 ) is being developed for use in the DWPF Recycle Collection Tank (RCT). The RCT is fed by the Slurry Mix Evaporator Condensate Tank (SMECT) and the Off-Gas Condensate Tank (OGCT). The SMECT could receive glycolate via a foamover from the Sludge Receipt and Adjustment Tank (SRAT) or the Slurry Mix Evaporator (SME), and the OGCT could receive glycolate via carryover of sludge particles in the purge from the melter during surge conditions. The use of NaMnO 4 additions in the RCT will result in additional manganese (Mn) in the waste stream and needs to be evaluated.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

CFD-DEM Modeling of Autothermal Pyrolysis of Corn Stover with a Coupled Particle- and Reactor-Scale Framework

Autothermal operation of fast pyrolysis is an efficient process-intensification technique wherein exothermic oxidation reactions are used to overcome the heat-transfer bottleneck of conventional pyrolysis. The development of accurate, reliable modeling toolsets is imperative to generating a deeper understanding of biomass autothermal pyrolysis systems to support scale-up and industrial deployment. This modeling effort describes the development of single-particle and reactor models which incorporate detailed reaction schemes and simultaneous exothermic oxidation reactions. The particle-scale model was parameterized for corn stover feedstock with particle morphology, density, ash content, and biopolymer composition, all of which impact the emergent conversion characteristics during pyrolysis. Results were then used to parameterize a reactor-scale autothermal pyrolysis model, which was developed using a coarse-grained computational fluid dynamic-discrete element method. The simulation results compared well with experimental results, with the predicted bio-oil, light gas, and biochar yield within 3.0 wt% of the experimental yields. Further analyses were performed to test the influence of equivalence ratio, biomass injection position, and particle size distribution on autothermal pyrolysis. The analysis of the physio-chemical properties of the fluid and solid phase inside the reactor and at the reactor outlet help reveal important process interactions of autothermal pyrolysis.

BIOMASS FUELS,INORGANIC, ORGANIC, PHYSICAL, AND AN↗

Molten Salt vs. Liquid Sodium Receiver Selection Using the Analytic Hierarchy Process

An international team led by NREL analyzed the favorability of two alternative liquid receiver designs for a 700+ degrees C receiver under the Gen3 CSP Liquid Pathway project. The competing liquid heat transfer fluids were a ternary chloride salt and liquid-metal sodium. The team applied a facilitated analytic hierarchy process (AHP) to arrive at a recommended alternative and set a path forward for the project. The AHP criteria were formulated, weighted, and scored by the project leadership team and technical advisory committee consisting of energy industry and CSP experts. The six- month process culminated with a two-day workshop where the sodium alternative was deemed to have both a significantly higher benefit (19.3%) and a lower LCOE (11.4%), with only a slightly higher risk (~3%) than the salt alternative. Consequently, a sodium-receiver design was selected for the Liquid Pathway project, where it will be used to charge a two- tank chloride salt thermal energy storage system.

analytic hierarchy process↗

Molten Salt vs. Liquid Sodium Receiver Selection Using the Analytic Hierarchy Process: Preprint

An international team led by NREL analyzed the favorability of two alternative liquid receiver designs for a 700+ °C receiver under the Gen3 CSP Liquid Pathway project. The competing liquid heat transfer fluids were a ternary chloride salt and liquid-metal sodium. The team applied a facilitated analytic hierarchy process (AHP) to arrive at a recommended alternative and set a path forward for the project. The AHP criteria were formulated, weighted, and scored by the project leadership team and technical advisory committee consisting of energy industry and CSP experts. The six-month process culminated with a two-day workshop where the sodium alternative was deemed to have both a significantly higher benefit (19.3%) and a lower LCOE (11.4%), with only a slightly higher risk (~3%) than the salt alternative. Consequently, a sodium-receiver design was selected for the Liquid Pathway project, where it will be used to charge a two-tank chloride salt thermal energy storage system.

41 EE - Solar Energy Technologies Office (EE-4S)↗

Molten Salt vs. Liquid Sodium Receiver Selection Using the Analytic Hierarchy Process

An international team led by NREL analyzed the favorability of two alternative liquid receiver designs for a 700+ degrees C receiver under the Gen3 CSP Liquid Pathway project. The competing liquid heat transfer fluids were a ternary chloride salt and liquid-metal sodium. The team applied a facilitated analytic hierarchy process to arrive at a recommended alternative and set a path forward for the project. The AHP criteria were formulated, weighted, and scored by the project leadership team and technical advisory committee consisting of energy industry and CSP experts. The six-month process culminated with a two-day workshop where the sodium alternative was deemed to have both a significantly higher benefit (19.3%) and a lower LCOE (11.4%), with only a slightly higher risk (~3%) than the salt alternative. Consequently, a sodium-receiver design was selected for the Liquid Pathway project, where it will be used to charge a two-tank chloride salt thermal energy storage system.

central receiver↗

An Adaptive Geometry-Free Thermo-Mechanical Model for Directed Energy Deposition Process Modeling

This presentation describes a novel, geometry-free thermo-mechanical model with adaptive subdomain con- struction to accurately predict the thermal conditions, distortions, and residual stresses throughout the directed energy deposition (DED) process. A novel finite element workflow is designed to con- duct the numerical analysis, based on the multi-app and data transfer capabilities in the open-source Multiphysics Object-Oriented Simulation Environment (MOOSE). Unlike with traditional methods, the part geometry in this model is not predefined. Instead, it is a combined effect of the processing parameters and material properties. At each time step, the model utilizes a subdomain construction paradigm to model the material deposition. A specialized mesh adaptivity scheme is incorporated to provide an accurate prediction while reducing the overall computational cost. The results generated by the proposed model show general agreement with the experimental measurements for the single track scan with varying processing parameters and demonstrate reasonable predictions for higher material buildups.

36 MATERIALS SCIENCE↗

Comparative Analysis of HEATNETS for Geothermal Network Performance: Preprint

Thermal energy networks (TENs), also known as 5th generation district energy systems, or more specifically geothermal networks when exchanging heat with geothermal boreholes, are an important technology for decarbonization. In these networks an ambient loop connects buildings and thermal sources, such as a borehole field, to exchange energy and maintain a desired loop temperature. Water-source heat pumps are used at the buildings to connect to the ambient or thermal loop to meet to the building heating and cooling loads and maintain comfort. A semi-transient, reduced-order technical model and techno-economic model, called HEATNETS, has been developed at NREL that captures the flow of energy around a TEN. In this work, a comparison of the HEATNETS technical model and a well-known coding platform used for modeling geothermal networks, TRNSYS, has been completed for a proposed geothermal network as a verification process. Hourly data provided from the TRNSYS simulation included building loads, pumping power, heat pump power, temperature entering and leaving the borehole field, and mass flow rates. The hourly borehole temperatures were used to create a linear regression model utilized in HEATNETS to estimate the borehole field heat exchange. The building loads and mass flow rates were direct inputs to HEATNETS while the pumping power, heat pump power, borehole temperatures, and coefficients of performance were all simulated and calculated by HEATNETS, allowing for direct comparison of the thermal energy transfer, rather than also comparing control systems responses. HEATNETS considers the full process from design inputs to economic outputs and can provide modeling options for high-level initial system design and operational optimization. This study shows that HEATNETS, while not intended to replace other modeling tools, can be a unique modeling tool for the performance of a full geothermal network system.

15 GEOTHERMAL ENERGY↗

Advancing river corridor science beyond disciplinary boundaries with an inductive approach to catalyse hypothesis generation

Abstract A unified conceptual framework for river corridors requires synthesis of diverse site‐, method‐ and discipline‐specific findings. The river research community has developed a substantial body of observations and process‐specific interpretations, but we are still lacking a comprehensive model to distill this knowledge into fundamental transferable concepts. We confront the challenge of how a discipline classically organized around the deductive model of systematically collecting of site‐, scale‐, and mechanism‐specific observations begins the process of synthesis. Machine learning is particularly well‐suited to inductive generation of hypotheses. In this study, we prototype an inductive approach to holistic synthesis of river corridor observations, using support vector machine regression to identify potential couplings or feedbacks that would not necessarily arise from classical approaches. This approach generated 672 relationships linking a suite of 157 variables each measured at 62 locations in a fifth order river network. Eighty four percent of these relationships have not been previously investigated, and representing potential (hypothetical) process connections. We document relationships consistent with current understanding including hydrologic exchange processes, microbial ecology, and the River Continuum Concept, supporting that the approach can identify meaningful relationships in the data. Moreover, we highlight examples of two novel research questions that stem from interpretation of inductively‐generated relationships. This study demonstrates the implementation of machine learning to sieve complex data sets and identify a small set of candidate relationships that warrant further study, including data types not commonly measured together. This structured approach complements traditional modes of inquiry, which are often limited by disciplinary perspectives and favour the careful pursuit of parsimony. Finally, we emphasize that this approach should be viewed as a complement to, rather than in place of, more traditional, deductive approaches to scientific discovery.

54 ENVIRONMENTAL SCIENCES↗

HyPerPy (Hydrogen Extraction and Parabolic Trough Plant Performance Models using Python) [SWR-21-53]

The HyPerPy package consists of three scripts: 1) Model for Hydrogen Tracking in Parabolic Trough Power Plants, 2) Model for Receiver Performance, and 3) Model for Hydrogen Extraction Process. The power plant model (1) tracks hydrogen generation and transport within the circulating heat transfer fluid (HTF) of the power plant. This script is a transient, initial value simulation, in which the hydrogen concentration in the circulating HTF is 0 moles per cubic meter everywhere at time 0 seconds. Hydrogen concentration is calculated at discrete locations within the circulating HTF with 4-second time resolution. During each time step, the change in hydrogen concentration due to hydrogen generation and permeation is calculated for each location according to the local HTF temperature, vessel or piping properties, hydrogen concentration and partial pressure. This model predicts hourly hydrogen concentrations for typical operating days in the spring, summer, fall, and winter seasons. Data is used to create hourly mappings of hydrogen concentrations for a typical operating year. The receiver model (2) uses a 1-hour time step to estimate getter loading and annulus pressure. For each time step, the model uses HTF and ambient temperature data to estimate absorber tube, bellows, and getter temperatures for the time step. In addition, the model uses hourly HTF hydrogen concentrations that are generated by the power plant model (1), and annulus hydrogen pressure from the previous time step. With these data, the model calculates the moles of hydrogen permeating across the absorber tube and bellows during the time step. The net change in moles hydrogen is added or subtracted from the getter loading for the previous time step, and the hydrogen pressure is re-calculated based on getter loading and temperature. The model uses this algorithm to simulate hydrogen permeation and loading 24 hours per day, 365 days per year using seasonal temperature data. The model repeats these calculations for 25 years to create a mapping of receiver getter loading and annulus hydrogen pressure for four seasons of each year. The model for hydrogen extraction (3) estimates hydrogen extraction rates for a specific separation module configuration. The rate depends primarily on membrane area, vacuum pump performance, headspace gas flowrate to the membrane, and headspace gas hydrogen partial pressure. This model has two versions. The steady-state version predicts hydrogen extraction rates when the module is operating in separation mode. The dynamic version predicts hydrogen transfer through the membrane when the module is operating in sensor mode. The steady-state version is used with the plant model (1) to predict hydrogen partial pressures in the power plant when the extraction process is operating.

Glatzmaier, Gregory↗

Excited state electron transfer in A 2 and A 2 B 2 functionalized zinc porphyrins carrying rigid and flexible β -pyrrole π-extended substituents

Optical absorption and emission, electrochemical, and photochemical properties of peripherally functionalized with flexible and rigid π-extended substituents on A 2 and A 2 B 2 type zinc porphyrins is investigated. The significance of rigid π-substituents over flexible ones in governing the spectral properties is unraveled. Flexible π-substituents on the porphyrin ring caused appreciable spectral broadening compared to porphyrin carrying rigid π-substituents. Further, supramolecular dyads are formed by coordinating phenyl imidazole functionalized fullerene, C 60 Im. Here, the calculated binding constants for the 1:1 complexes is in the order of 2–7 × 10 5 M −1 suggesting stable complex formation. Free-energy calculations performed according to the Rehm–Weller approach suggested possibility of excited state electron transfer in these dyads. Femtosecond transient absorption studies of the dyads performed in o-dichlorobenzene showed evidence of occurrence of electron transfer from the singlet-excited state that was in competition with the intersystem crossing process to populate the triplet-excited state of porphyrins.

A2 and A2B2 functionalized zinc↗

Experimental Characterization of an Additively Manufactured Inconel 718 Heat Exchanger for High-Temperature Applications

This work presents the experimental results of a novel, air-to-air, additively manufactured manifold-microchannel heat exchanger with straight fins on both sides. The heat exchanger was made of Inconel 718 using a direct metal laser sintering technique. The overall core size of the heat exchanger was 94 mm × 87.6 mm × 94.4 mm, with a fin thickness of 0.220 mm on both the hot and cold sides. The heat exchanger was tested with pressurized nitrogen gas at 300 °C and 340 kPa for the hot side, while air at an ambient condition was used for the cold side. An overall heat transfer of 276 W/m2K was obtained for Reynolds number values of 132 and 79 for the cold and hot sides, respectively. A gravimetric heat transfer density (Q/m∆T) of 4.7–6.7 W/kgK and a volumetric heat transfer density (Q/V∆T) of 6.9–9.8 kW/m3K were recorded for this heat exchanger with a coefficient of performance value that varied from 42 to 52 over the operating conditions studied here. The experimental pressure drop results were within 10% of the numerical values, while the corresponding heat transfer results were within 17% of the numerical results, mainly due to imperfections in the fabrication process. Despite this penalty, the performance of the tested heat exchanger was superior to the conventional plate-fin heat exchangers: more than 60% of improvements in both gravimetric and volumetric heat transfer densities were recorded for the entire range of experimental data.

42 ENGINEERING↗