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At least 487 records · Page 27

A ray-tracing algorithm for ab-initio calculation of thermal load in undulator-based synchrotron beamlines

The OASYS suite and its powerful integration features are used to implement a ray-tracing algorithm to accurately calculate the thermal load in any component of an undulator-based synchrotron beamline. This is achieved by sampling and converting the SRW source of a given energy into a Shadow source and using the latter code to ray trace the full beamline. The accuracy of the algorithm is proved by reconstructing the full undulator radiation distribution through an aperture and comparing the result with direct calculaton of the total power using SRW. The algorithm is particularly suited to analyze cases with complex beamline layouts and optical elements, such as crystals, multilayers, and compound refractive lenses. Examples of its use to calculate the power load on elements of two of the feature beamlines at the Advanced Photon Source Upgrade Project and a comparison of the results with analytical calculations are presented.

43 PARTICLE ACCELERATORS↗

Experimental investigation of the dependence of void nucleation and growth on initial microstructure in high-purity titanium under tension

An experimental investigation of failure mechanisms in relation to the initial microstructure in high-purity titanium samples is presented. The initial microstructure of the specimens was measured in 3D using diffraction-contrast tomography (DCT). Ex-situ X-ray computed tomography (XCT) was used to visualize voids in specimens at various levels of deformation attained by interrupted tensile testing. Electron backscatter diffraction (EBSD) mapping was used to characterize the deformed microstructures per specimen. The investigation showed that the location of failures was unrelated to the formation of the first voids, but rather the nucleation and growth of cracks were from heavily deformed surface regions. The areas surrounding the failure-causing cracks had the highest propensity for void development of any area in the specimen. This facilitated crack propagation through the specimen via “linking up”. The failure of the specimens by microvoid coalescence was bolstered by “dimpled” fracture surfaces. Paint composed of gallium embedded in rubber was used to track the displacement of points along the loading direction of the specimens, to relate the location of failure to the material's initial microstructure. However, the correlation proved difficult, due to complex microstructural evolution involving voids, grain fragmentations, and profuse twinning. Nevertheless, it was shown that necking occurred near the largest grain in the gauge section of the specimens. This is likely caused by the decrease in strength of larger grains, causing strain to concentrate in their vicinity. Here, a comprehensive picture of the failure processes in high-purity titanium under axial loading is presented and discussed in the paper.

36 MATERIALS SCIENCE↗

Laboratory investigation of hydraulic fracturing in granitic rocks using active and passive seismic monitoring

SUMMARY Knowledge of the fracturing processes can be important for the optimization of pressurized fluid injection operations in the deep underground rock mass. Active and passive seismic monitoring techniques have been used in the field for tracking or mapping the propagating hydraulic fracture. Although both these monitoring techniques provide valuable information about the generated fracture network, it is difficult for either technique to comprehensibly identify the different processes associated with hydraulic fracturing. The combined active and passive monitoring has the potential for better characterization of the complex hydraulic fracturing phenomena. In this study, laboratory hydraulic fracturing experiments with combined active and passive seismic monitoring were conducted on true triaxially loaded Barre granite cubes with different fluid injection rates. The seismic inelastic fracturing was detected by 16 passive acoustic emission sensors, where 3678 and 2370 seismic source events were detected for the high and low injection rate experiments, respectively. For active monitoring, strong variations in the attributes of signals were observed which were transmitted through four source–receiver pairs, placed both perpendicular and parallel to the generated hydraulic fracture. Positive velocity changes were observed for active sensor pairs with ray paths passing through the generated hydraulic fracture indicating fluid permeation, whereas isolated dry deformation was characterized by a slight but permanent velocity decrease. Compared to velocity, the energy of the active signals was 1–2 orders of magnitude more sensitive to different hydraulic fracturing processes. However, the sensitivity and signatures of the active signal attributes were found to be dependent on the frequency range and direction of ray path with respect to the location of the generated fracture network. Using the coupled evaluation of the active and passive signals we were able to systematically identify various hydraulic fracturing processes including: (1) aseismic deformation, (2) fracture initiation and fluid permeation, (3) pressure build-up, (4) fracture propagation and (5) pressure release and leak-off. The results of this study showed that combining the respective advantages of active and passive seismic techniques and using both of them to monitor the failure processes can facilitate a more comprehensive understanding and better control of the hydraulic stimulations in subsurface operations.

Geochemistry & Geophysics↗

Using Co-Simulation to Model Interconnect-Scale Power Systems from Loads to Generators

Co-simulation is a modeling technique that allows analysts to combine simulation tools and their corresponding models to exchange data during run-time, allowing the creation of larger and more complex models across heterogeneous domains. HELICS is a co-simulation platform developed over the past six years that has been shown to be effective for these multi-domain analysis. Recently, a HELICS-based analysis was completed where the ERCOT electrical interconnect in the United States was modeled in high detail from bulk power system generation to individual customer loads. This model was used to evaluate a flat-rate and transactive energy tariff with integrated wholesale and retail real-time and day-ahead energy markets. This modeling allows detailed analysis showing how the operations of the power system under these tariffs impact all actors in the power system, from individual customers to bulk power system operators.

co-simulation, HELICS, transactive energy system, ↗

Ionic Liquid Sheath Stabilizes Atomically Dispersed Reduced Graphene Aerogel‐Supported Iridium Complexes during Ethylene Hydrogenation Catalysis

Abstract An atomically dispersed reduced graphene aerogel (rGA)‐supported iridium catalyst having reactive ethylene ligands was synthesized at an iridium loading of 9.9 wt % and coated with an ionic liquid, 1‐ethyl‐3‐methylimidazolium acetate ([EMIM][OAc]). Continuous‐scan X‐ray absorption spectra demonstrated that the iridium remained site‐isolated in flowing equimolar C 2 H 4 and H 2 during a temperature ramp to 100 °C. The data further showed the lack of detectable iridium aggregation when the feed was H 2 ‐rich or even pure H 2 at 100 °C. An Arrhenius plot determined for ethylene hydrogenation catalysis with the sample in flowing equimolar ethylene and hydrogen showed no variation in the apparent activation energy at temperatures up to 100 °C, confirming that the active sites remained intact at the higher temperatures. The results point to opportunities for overcoming the stability limitations of atomically dispersed supported noble metal catalysts by choice of electron‐donor supports and ionic liquid sheaths.

Kurtoğlu‐Öztulum, Samira F.↗

Battle of the Defaults: Extracting Performance Characteristics of HDF5 under Production Load

Popular parallel I/O libraries, such as HDF5, provide tuning parameters to obtain superior performance. However, the selection of effective parameters on production systems is complex due to the interdependence of I/O software and file system layers. Hence, application developers typically use the default parameters and often experience poor I/O performance. This work conducts a benchmarking-based analysis on the HDF5 behaviors with a wide variety of I/O patterns to extract performance characteristics under the production workload. To make the analysis well controlled, we exercise I/O benchmarks on POSIX-IO, MPI-IO, and HDF5 using the same I/O patterns and in the same jobs. To address high performance variability in production environments, we repeat the benchmarks across I/O patterns, storage devices, and time intervals. Based on the results, we identified consistent HDF5 behaviors that appropriate configurations and operations on dataset layout and file-metadata placement can improve performance significantly. We apply our findings and evaluate the tuned I/O library on two supercomputers: Summit and Cori. The results show that our tuned parameters can achieve more than 10× I/O performance speedup than that with default parameters on both systems, suggesting the effectiveness, stability, and generality of our solution.

Xie, Bing↗

Open Building Control

Best practice control sequences are often not implemented correctly, or are not implemented at all, in large commercial buildings. This typically leads to 10-30 percent energy waste, along with reduced occupant productivity and unnecessary equipment wear. The current process of designing and implementing such control sequences is a manual process that starts with designers who often don’t have adequate training, then requires controls programmers to interpret and program a verbose written sequence. This process has been shown to fail to deliver high performance control sequences at scale. The Open Building Control project digitizes the current control delivery process. The project is developing tools for system designers to select control sequences, assess their energy performance and load flexibility potential using whole building simulation, specify the sequence for implementation using machine-to-machine translation by a control provider and formally testing the as-installed sequences by a commissioning agent. The project developed tools for each stage of this delivery process. The key innovation of the project is the development of the Control Description Language, a language that allows such a digitized control delivery process with end-to-end verification. Libraries of control sequences have been implemented using the Control Description Language, and their performance has been demonstrated using whole building energy simulation. An automated translation of such sequences to a commercial control product line has been conducted using a prototype translator. Tools for formal verification of as-installed control sequences relative to their specification have been developed and demonstrated. The American Society of Heating, Refrigerating and Air-Conditioning Engineers (ASHRAE) started the process of forming a committee to make this language an ASHRAE/ANSI Standard. This new standard will complement existing and emerging ASHRAE standards for building communication and semantic modeling by providing a standard for expressing the control logic - the actual brain of the building. We expect this language and the process it enables to be an important contribution to the deployment of high performance building control sequences at scale because it allows taming the complexity of the control delivery process, which is continually increasing due to the need for higher performance and increased load flexibility to meet goals for net zero energy and increased renewable integration.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

Analysis of Tc and U Spent Ion Exchange Resins from Hanford 200 West P and T Facility - 19202

The 200 West Area Pump-and-Treat (P and T) facility at the Hanford Site is being used to remove radionuclides such as uranium (U) and technetium-99 (Tc-99) from the contaminated groundwater. To support evaluation of U and Tc ion exchange (IX) treatment operational conditions and performance with various influent conditions, knowledge of resin capacity and contaminant retention is needed. To meet these objectives, samples of the spent Dowex{sup R} 21K and Purolite{sup R} A530E IX resins from the 200 West P and T facility used for the treatment of U and Tc, respectively, have been obtained and analyzed for the target analytes and other retained contaminants. The objectives of this work included 1) determination of the effective U and Tc loading on the resins, 2) evaluation of redox and chemical speciation of U and Tc retained by the resins and impact of the feed composition on the retention of U by the resin, and 3) quantification of other contaminants and groundwater constituents retained on the resins. Speciation of U and Tc-99 on the resin was determined by a combination of X-ray absorption fine structure, nuclear magnetic resonance, X-ray photoelectron spectroscopy (XAS), and optical spectroscopic techniques. Nondestructive analytical techniques including gamma energy analysis and low-energy photon spectroscopy were incorporated to quantify radionuclides retained on the resin. Scanning electron microscopy and energy-dispersive X-ray spectroscopy were used to observe the IX beads and quantify chemical constituents on the surface and penetration through the beads. Destructive analysis of the resin was explored through wet oxidation to identify and quantify co-contaminants sorbed to the resins. Inductively coupled plasma-optical emission spectroscopy (ICP-OES) and inductively coupled plasma-mass spectrometry (ICP-MS) were used to analyze for metals, iodine, and specific isotopes retained on the resin, including Tc-99 and U-238. A single pertechnetate Tc-99 species was identified to be retained on the resin. For U, the obtained structural information was correlated with the laboratory findings using pristine resin as reference material to identify the nature of the U complexes and predict U retention by the resin as a function of variable influent conditions. Both resins demonstrated high loading with sulfate, silica, calcium, iron, zinc, and other groundwater constituents, suggesting that the competing anions, fouling, or a combination thereof significantly reduced their effective capacity for U and Tc-99. A significant amount of nonradioactive iodine-127 (I-127) and long-lived radioactive iodine-129 (I-129) isotope was also retained on the resins. Obtained quantitative information provided insights on the impact of water chemistry and the presence of common mineral constituents on the retention of contaminants of concern, including U, Tc-99, and I-129. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Added value of site load measurements in probabilistic lifetime extension: a Lillgrund case study

Site-specific fatigue estimation is an essential part of wind turbine lifetime extension, with various methods depending on data availability. The present study compares probabilistic lifetime extension assessment results for rotor blades with and without load measurements. It also addresses two key questions in such assessments: the applicability of the Frandsen model for estimating waked turbulence under complex and mixed wake conditions and the extrapolation of mid-term data over longer time periods. The case study wind turbine is SWT-2.3-93, located at the edge of the Lillgrund wind farm, situated in the Øresund Strait between Denmark and Sweden. The turbine is extensively instrumented, with 5 years of data available from its supervisory control and data acquisition (SCADA) system. Although the Frandsen turbulence estimates deviate in a different manner from measurements at below- and above-rated mean wind speeds, the model remains a conservative approach for fatigue load prediction and reliability. In the current case study, the site-specific assessment using strain gauge measurements yields a 33 % higher annual fatigue reliability index after 35 years compared to a scenario based on the Frandsen estimation combined with ambient environmental data and a generic aeroelastic model. The results also demonstrate that the sensitivity of fatigue reliability to load uncertainty is negligible when load measurements are used directly but relatively high when relying on the Frandsen model in combination with a generic aeroelastic model. Overall, the high variability of the lifetime extension in different scenarios of data availability and accuracy shows the importance and added value of high-quality measurements combined with wind-farm-level SCADA and a model updated in real time (digital twins).

17 WIND ENERGY↗

Interaction of Water with Carbon Fiber Reinforced Polymer Laminates under Dynamic Loading Conditions

With the aim of simulating the real conditions during the navigation, in this framework, impact tests were performed by loading CFRP laminates immersed in the water from the front side. The specimens, made by vinyl ester matrix because of the lower moisture absorption compared to the other epoxy systems, are in the presence of the water to accurately simulate the incidental impact on the hull of the vessel, immersed or partially immersed, during the navigation. It can be caused by the ice in the Arctic Ocean, by a projectile due to a terroristic attack or by debris from an explosion. The results are compared with the ones obtained by loading the laminates in pure traditional impact tests in the air. The influence of the clamping device has been tested too. The exciting results obtained on carbon fiber laminates in the air (pure traditional impact tests), water-backed (with water on the back side) and waterfront (water only on the front side) conditions at room temperature are here reported and compared. They highlighted the critical role played by the complex fluid–structure interaction.

36 MATERIALS SCIENCE↗

Noncovalent Immobilization of Pentamethylcyclopentadienyl Iridium Complexes on Ordered Mesoporous Carbon for Electrocatalytic Water Oxidation

The attachment of molecular catalysts to conductive supports for the preparation of solid-state anodes is important for the development of devices for electrocatalytic water oxidation. The preparation and characterization of three molecular cyclopentadienyl iridium(III) complexes, Cp*Ir(1-pyrenyl(2-pyridyl)ethanolate-κO,κN)Cl (1) (Cp* = pentamethylcyclopentadienyl), Cp*Ir(diphenyl(2-pyridyl)methanolate-κO,κN)Cl (2), and [Cp*Ir(4-(1-pyrenyl)-2,2'-bipyridine)Cl]Cl (3), as precursors for electrochemical water oxidation catalysts, are reported. These complexes contain aromatic groups that can be attached via noncovalent π-stacking to ordered mesoporous carbon (OMC). The resulting iridium-based OMC materials (Ir-1, Ir-2, and Ir-3) were tested for electrocatalytic water oxidation leading to turnover frequencies (TOFs) of 0.9–1.6 s -1 at an overpotential of 300 mV under acidic conditions. The stability of the materials is demonstrated by electrochemical cycling and X-ray absorption spectroscopy analysis before and after catalysis. Theoretical studies on the interactions between the molecular complexes and the OMC support provide insight onto the noncovalent binding and are in agreement with the experimental loadings.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Water Supply System with Light-Water Production Based on a Nuclear Desalination Complex

The aim of this work is to develop an ecologically safe energy efficient system of supplying water with production of light-water on the basis of a nuclear desalination complex with low-power reactors in order to solve the problem of water shortage, reduction of ecological load on the environment, and secure freshwater in regions where it is in short supply. A fundamentally new combined scheme of a water supply system with light-water produced on the basis of nuclear desalination and water circulation (recycling) using membrane and distillation methods is proposed. The system provides for maximum extraction of contaminants before the desalination stage by less expensive methods of purification, which decreases the load on desalination and makes it more efficient.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Scalable multiscale modeling of platelets with 100 million particles

Here, we developed the core components of the AI-aided multiple time stepping algorithm for multiscale modeling of cell dynamics. This algorithm was implemented and analyzed on two supercomputer architectures with an application of simulating the aggregation of 250 platelets, or 102 million particles. To scale on these computers with complex memory and network architectures with GPUs, we devised a biomechanics-informed task mapping scheme to optimize load imbalance, communications, and memory utilization. Our simulations, scaling well up to 192 nodes on a Summit-like supercomputer with a peak speed of 11 petaflops, achieved a rate of 423 μs/day which is 500 times faster than the conventional algorithm using static time step and this has enabled studies of record size blood clots at record spatial–temporal resolutions. Additionally, we discovered the sensitive dependence of the scalability and execution time on the methods of decomposition, CPU–GPU coupling, and task mapping.

97 MATHEMATICS AND COMPUTING↗

Uncertainty quantification of a physics-informed model based on sparse identification of a Thermal Energy Distribution System

Integrated energy systems (IES)s are crucial for enhancing the economy and efficiency of power generation sources (e.g., nuclear energy) necessary to unleash American energy dominance. These systems can be integrated with thermal energy storage (TES) and intermittent renewable energies to optimize overall energy use, peak-load regulation, and demand-side responses. However, the stabilization of energy generation, transport, and utilization introduces operational complexities that exceed the challenges of managing each sub-component individually. Currently, though IESs rely on human operators for efficiency and stability, reducing human error risk and enhancing performance through automation is highly desirable. Recent advances at Idaho National Laboratory have demonstrated successful control of the Thermal Energy Distributed System (TEDS). However, the automatic control system depends on a deterministic Sparse Identification of Nonlinear Dynamics with Control (SINDyC) model, which are trained based on simulation data from physics-based simulations. Because of uncertainties in physics-based simulation, SINDyC model results in large discrepancies against experimental data and cannot be reliably used in automatic control. In this paper, we present an innovative approach to address these discrepancies by quantifying uncertainties and developing a more robust model. We first generated trajectories by using first-principles physics codes to encapsulate the experiment. Next, we trained thousands of models by randomly sampling these trajectories. We then collapsed all those models into one probabilistic SINDyC by fitting a multivariate Gaussian distribution onto the resulting coefficient’s distribution. Despite its simplicity, our approach successfully produced 95% confidence intervals that captured the experimental trajectories. It even did so with a higher probability and better U-pooling score across six of the seven relevant quantities of interest (QoIs), as compared to other classical approaches. In conclusion, ongoing research is focusing on generating new experimental trajectories to validate this approach, and on employing Bayesian calibration to refine parametric uncertainties and guide future model development efforts.

22 - GENERAL STUDIES OF NUCLEAR REACTORS↗

Separation of protactinum, actinium, and other radionuclides from proton irradiated thorium target

Protactinium, actinium, radium, radiolanthanides and other radionuclide fission products were separated and recovered from a proton-irradiated thorium target. The target was dissolved in concentrated HCl, which formed anionic complexes of protactinium but not with thorium, actinium, radium, or radiolanthanides. Protactinium was separated from soluble thorium by loading a concentrated HCl solution of the target onto a column of strongly basic anion exchanger resin and eluting with concentrated HCl. Actinium, radium and radiolanthanides elute with thorium. The protactinium that is retained on the column, along with other radionuclides, is eluted may subsequently treated to remove radionuclide impurities to afford a fraction of substantially pure protactinium. The eluate with the soluble thorium, actinium, radium and radiolanthanides may be subjected to treatment with citric acid to form anionic thorium, loaded onto a cationic exchanger resin, and eluted. Actinium, radium and radiolanthanides that are retained can be subjected to extraction chromatography to separate the actinium from the radium and from the radio lanthanides.

38 RADIATION CHEMISTRY, RADIOCHEMISTRY, AND NUCLEA↗

Dynamic Wind Loading on CSP Collectors Caused by Turbulent Wind Fluctuations: Insights from a 2-Year Field Campaign

Concentrating Solar Power (CSP) is a promising solar technology for electricity generation with thermal energy storage and with the additional benefit of industrial heat production. Wind loading on CSP collector structures, such as parabolic troughs or heliostats, is one of the primary drivers of their structural design costs. In particular, dynamic wind loading is a major source of uncertainty in the collector design process, which heavily relies on wind tunnel testing. In the field, the turbulent nature of the incoming wind creates fluctuating loads (support structure loads and resulting mirror deflections) on the collectors, with impacts on fatigue lifetime and optical performance. As is well known, wind tunnel tests cannot entirely reproduce the complex turbulent wind conditions typically observed at full-scale plants. To shed light on this topic, NREL initiated a field campaign at the operational Nevada Solar One (NSO) powerplant that uses parabolic troughs as solar collectors. The aim of the project is a detailed characterization of prevailing wind and turbulence conditions and resulting operational loads on parabolic troughs. We use the published 2-year dataset of high-resolution combined wind and structural loads measurements [1] to characterize the dynamic structural wind response. For quantifying dynamic wind loading, we apply the concept of admittance functions, which are spectral transfer functions that couple the turbulent wind to resulting structural loads (aerodynamic admittance), and to the structural response (mechanical admittance). In practice, aerodynamic admittance describes which turbulent eddy sizes are effective in creating structural loads. The mechanical admittance describes in which frequency ranges these loads are reinforced or dampened by the structure. While these functions are an established concept in civil engineering, their recent application to a single full-scale heliostat [2] proved their broader applicability to CSP collectors. Here, we present a characterization of admittance functions for full-scale parabolic trough collectors and show how wind characteristics (mean wind speed and direction, turbulent kinetic energy, turbulent length scales), the sun-tracking trough angle, and row position alter the admittance functions. Further, we study to which extent the admittance functions are universal for a specific trough geometry and how our findings compare to reported heliostat results. References [1] https://data.openei.org/submissions/5938. [2] Blume, K., Roger, M., and Pitz-Paal, R. 2023b. "Simplified analytical model to describe wind loads and wind-induced tracking deviations of heliostats." Solar Energy, 256, 96-109. https://doi.org/10.1016/j.solener.2023.03.055.

admittance functions↗

Coupled Mooring Analyses for the WEC-Sim Wave Energy Converter Design Tool: Preprint

A wave-energy-converter-specific time-domain modeling method (WEC-Sim) was coupled with a lumped-mass-based mooring model (MoorDyn) to improve its mooring dynamics modeling capability. This paper presents a verification and validation study on the coupled numerical method. First, a coupled model was built to simulate a 1/25 model scale floating power system connected to a traditional three-point catenary mooring with an angle of 120 between the lines. The body response and the tension force on the mooring lines at the fairlead in decay tests and under regular and irregular waves were examined. To validate and verify the coupled numerical method, the simulation results were compared to the measurements from a wave tank test and a commercial code (OrcaFlex). Second, a coupled model was built to simulate a two-body point absorber system with a chain-connected catenary system. The influence of the mooring connection on the point absorber was investigated. Overall, the study showed that the coupling of WEC-Sim and the MoorDyn model works reasonably well for simulating a floating system with practical mooring designs and predicting the corresponding dynamic loads on the mooring lines. Further analyses on improving coupling efficiency and the feasibility of applying the numerical method to simulate WEC systems with more complex mooring configuration are still needed.

16 TIDAL AND WAVE POWER↗

Floating Photovoltaic System Cost Benchmark: Q1 2021 Installations on Artificial Water Bodies

In this report, we conduct a bottom-up analysis of the installed costs for FPV systems deployed on artificial water bodies under average site conditions (wind load of about 40 m/s, snow load of 20 psf, water depth of 50 m, water level variation of 10 m, and swell height of 1 m). We estimate an installed system cost premium of $\$0.26$/WDC (25%) for 10-MWDC fixed-tilt FPV systems, compared with ground-mounted, fixed-tilt PV installed over bare ground. Higher structural costs related to the floats and anchoring system are the largest contributors to this premium. Currently, site investigation costs are also higher for FPV because of the additional effort needed to plan and design these more complex installations. Our preliminary sensitivity analysis shows that the installed cost of FPV systems is most sensitive to float costs, wind and snow loading, and module efficiency. FPV deployment is in an early stage, and additional experience, best practice development, and new configurations and technologies could help reduce the costs of FPV systems over time.

14 SOLAR ENERGY↗