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At least 1,099 records · Page 61

R&D100: CO2 Memzyme

By combining a water droplet loaded with CO 2 enzymes in an ultrathin nanopore on a flexible substrate, researchers at Sandia National Laboratories realized the first technology that meets and exceeds DOE targets for cost-effective CO 2 capture. When compared with the nearest membrane competitor, this technology delivers a three times permeation rate, twenty times higher selectivity, and ten time lower fabrication cost. The CO 2 Memzyme has the potential to remove 90% of CO 2 emissions and is forecasted to save the U.S. coal industry $90 billion a year compared to conventional technology.

54 ENVIRONMENTAL SCIENCES↗

Application of Phase Field Simulations to Fuel Behavior

The application of the phase filed method to simulate the formation and the stress induced re-orientation of zirconium hydride during dry storage of the spent fuel and clad assembly is discussed. The phase field technique is able to capture qualitatively the effect of external stress on the hydride orientation in Zr-H system. However, the modeling effort to-date is far from adequate and several issues remain to be addressed before the simulations can be used as a predictive tool for the behavior of the clad during long time dry storage.

elastic energy↗

Evaluation of Property Methods for Modeling Direct-Supercritical CO2 Power Cycles

Direct supercritical CO2 (sCO2) power cycles combust natural gas or syngas with oxygen in a high pressure, heavily diluted sCO2 environment, and are an efficient and potentially cost-effective method of capturing CO2 from fossil-fueled power plants. The cycle thermal efficiency varies with the proximity of the operating conditions to the CO2 critical point, as well as to the level of working fluid dilution by minor components, thus it is crucial to correctly model the thermo-physical properties of these sCO2 mixtures. This presentation includes a quantitative evaluation of ten different property methods that can be used for modeling direct sCO2 cycles in Aspen Plus. These property methods are assessed against several mixture property measurements and offer a relative comparison to the accuracy obtained with REFPROP, the standard for analyzing high purity indirect sCO2 systems. The Lee-Kessler-Plocker Equation of State is recommended if REFPROP cannot be used.

Weiland, Nathan↗

Wind Loading on Parabolic Trough Collectors: Wind and Structural Loads Measurements at an Operational Powerplant

Concentrated Solar Power (CSP) is a promising method for using solar power for electricity generation with thermal energy storage for industrial applications. Solar collectors constitute almost 1/3 of the total cost of the power plant. One of the primary drivers of unrealiability of these collectors is wind-driven loading of mirrors, support structures, and drives. To date, the design of the solar collector structures has relied on data from wind tunnels that do not adequately capture the dynamic effects observed at scale. NREL initiated a field measurement campaign at the operational Nevada Solar One (NSO) parabolic trough powerplant. At this plant, parabolic trough solar collectors track the sun from east to west in the course of a day and face varying wind loads depending on the wind properties and the angle of the troughs. The aim of the project is a detailed characterization of prevailing wind and turbulence conditions and resulting operational loads on parabolic troughs, providing insights into structural dynamic response, and generating a comprehensive wind-loading dataset for validating simulations of wind loading on collector structures. The measurements at NSO consist of sonic anemometers on masts at different heights to characterize the incoming flow and conditions at four trough rows at the edge of the trough field. In addition, a Doppler Lidar scans the horizontal plane above the troughs. The wind measurements at NSO have been continuously collecting data since October 2021 and are combined with structural load measurements that started in November 2022. The load measurements were installed on the same four outermost trough rows and include support structure bending moments, drive torque moments, dynamic accelerations of the spaceframe, mirror displacement, and tilt angles. Measurements are planned to continue until May 2023, providing a first-of-a-kind, high-resolution multi-month dataset of combined wind and load measurements. In this presentation, we show first results of the measurement campaign. Based on the measurements, we identified three main factors altering the flow over the parabolic troughs: Wind speed, wind direction, and the angle of the parabolic troughs. Most interactions between incoming wind and the trough field are observed when the wind blows perpendicular to the trough rows. In this case, the first rows experience the highest wind speed and block the downwind rows, creating conditions with decreased wind speed and enhanced turbulence within the trough field. Also, turbulent length scales are smaller after the first row. This leads to the highest static loads (bending and torque moments) at the first row but potentially increased dynamic loads within the field. We illustrate our findings with case studies focused on different wind conditions and will present fatigue analysis to highlight the impact of wind-driven loads on collector structures.

CSP collectors↗

Improvements to PHISICS/RELAP5-3D{sup C} Capabilities for Simulating HTGRs

Accurate, high-resolution full core simulations of prismatic high temperature reactors for burnup and transient analysis remain a challenge. The cores are geometrically large, but some features are quite small (tri-structural isotropic (TRISO) particles, burnable poison pellets). The treatment of both neutron scattering in graphite and resonance capture are complex and not adequately captured using the methods traditionally used in High Temperature Gas-cooled Reactors (HTGR) and commonly used in Light Water Reactors (LWR). For transient analysis, temperature feedback is a function of the TRISO fuel form, but full core models cannot resolve phenomena at this scale without averaging over space and energy. For burnup calculations, a second level of heterogeneity must be resolved to capture the local effects of fuel and burnable poisons, while accurately propagating their effects through and between blocks. The HTGR Methods and Simulation group has been utilizing the INL-developed PHISICS/RELAP5-3D{sup C} (P/R), code suite for participation in the Organization for Economic Cooperation and Development (OECD) Modular High Temperature Gas Cooled Reactor (MHTGR) Benchmark, funded by the US Department of Energy (DOE) under the Advanced Reactor Technologies (ART) program. The MHTGR-350 benchmark consists of several lattice, steady-state and transient exercises, and the P/R code has been successfully applied to most of the cases defined. In addition to this code-to-code verification activity, it is planned that P/R will be validated using data from several Loss of Forced Cooling (LOFC) tests performed at the High Temperature Test Reactor (HTTR) in a joint effort with Japan Atomic Energy Agency (JAEA) under the Civil Nuclear Energy Working Group (CNWG) project. These verification and validation simulations will identify code and model discrepancies, sensitivities, and establish the current state-of-the-art in HTGR simulation. The Department of Astronautical, Electrical and Energy Engineering (DIAEE), 'Sapienza' University has been involved in the development of P/R since 2014 through various graduate and PhD student projects. In the framework of this collaboration the P/R optimization for application on the OECD MHTGR-350 and HTTR models will be carried out.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

Measurement of Wind Loading on Heliostats at the Crescent Dunes Power Plant: An Overview

The cost of solar collectors constitutes almost one third of the total cost of a CSP plant. One of the ongoing challenges in the design of these collectors is wind loading on mirrors, support structures, and drives. A particular challenge is dynamic wind loading, caused by the turbulent wind flow. To date, the design of solar collector structures has relied on wind tunnel experiments and numerical simulations that do not entirely capture the dynamic effects observed at scale. The CSP industry has shown increased interest in validating the idealized assumptions with measurements obtained in operational settings to improve wind load assumptions and increase reliability and cost-efficiency of the collector design. Further, performance models need realistic assumptions about wind loading and its impact on optical performance. In a parabolic trough field campaign, NREL successfully collected a wealth of long-term, high-resolution wind and loads data [2], that are publicly available and that can be used for the above-mentioned purposes. Heliostats are impacted differently by wind than parabolic troughs, due to their different shape, size, and field layout. To study the impact of wind and turbulence on heliostats, we initiated another field campaign in an operational power- tower plant, Crescent Dunes, in Nevada, USA. In this work, we present an overview of the measurements, first results, and potential implications of wind driven loads on Heliostats.

concentrated solar power↗

A Simulation Framework for Analyzing the Impact of Stochastic Occupant Behaviors on Demand Flexibility in Typical Commercial Buildings

As one of the primary users of the electric grid, buildings and building equipment, including heating, ventilation, and air conditioning (HVAC) systems, can be leveraged to provide the flexible demand needed to balance the grid. Typical strategies to achieve demand flexibility are to reduce electricity use during peak or critical periods by shutting down equipment or relaxing system setpoints, which will inevitably impact the occupants’ comfort. When occupants feel uncomfortable, they may take actions to regain their comfort, and some of those actions (such as turning on a personal fan) may have a negative impact on meeting the demand response goal. Therefore, it is important to incorporate occupant behaviors into the assessment ofthe building demand flexibility potential. In this study, a simulation framework that includes simulation of zone thermal loads, an HVAC system, and occupant behaviors, was developed to investigate the impact of occupant behaviors on demand flexibility. A case study was conducted using a small office model from the U.S. Department of Energy (DOE) Commercial Prototype Building Models to simulate the building envelope and zone loads. An agent-based occupant thermal behavior model was adapted to forecast occupants’ thermal comfort and their resulting thermal behaviors. An artificial neural network (ANN) based airflow model trained from a computational fluid dynamics (CFD) model of the zone was adopted to better predict the ambient environment of each occupant. An air-source heat pump simulation model that was calibrated from a real two-stage air-source heat pump system was used as the HVAC system. A typical load shedding event during peak hours was studied. Repeated simulations were conducted to capture the stochastic effects of occupant behaviors. The interplay between the demand flexibility, occupant comfort and behavior were analyzed by evaluating key performance indicators, including the energy use, occupant discomfort duration, and occupant behavior duration during the peak period. The results suggest that this framework can be used to analyze typical commercial buildings and their HVAC systems in terms ofdemand flexibility potential under the impact of occupant behaviors.

Chen, Zhelun↗

Thermal neutron capture cross section of gadolinium by pile-oscillation measurements in MINERVE

Natural gadolinium is used as a burnable poison in most LWR to account for the excess of reactivity of fresh fuels. For an accurate prediction of the cycle length, its nuclear data and especially its neutron capture cross section needs to be known with a high precision. Recent microscopic measurements at Rensselaer Polytechnic Inst. (RPI) suggest a 11% smaller value for the thermal capture cross section of {sup 157}Gd, compared with most of evaluated nuclear data libraries. To solve this inconsistency, we have analyzed several pile-oscillation experiments, performed in the MINERVE reactor. They consist in the measurement of the reactivity variation involved by the introduction in the reactor of small-samples, containing different mass amounts of natural gadolinium. The analysis of these experiments is done through the exact perturbation theory, using the PIMS calculation tool, in order to link the reactivity effect to the thermal capture cross section. The measurement of reactivity effects is used to deduce the 2200 m.s-1 capture cross section of {sup nat}Gd which is (49360 {+-} 790) b. This result is in good agreement with the JEFF3.1.1 value (48630 b), within 1.6% uncertainty at 1{sigma}, but is strongly inconsistent with the microscopic measurements at RPI which give (44200 {+-} 500) b. (authors)

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

Exfoliation energy, quasiparticle band structure, and excitonic properties of selenium and tellurium atomic chains

Effects that are not captured by the generalized-gradient density-functional theory have a prominent effect on the structural binding and on the electronic and optical properties of reduced-dimensional and weakly bound materials. Here, we report the exfoliation energy of selenium and tellurium atomic chains with nonempirical van der Waals corrections, and their electronic and optical properties with the GW and Bethe-Salpeter formalisms. The exfoliation energy is found to be within 0.547–0.719 eV/u.c. for the selenium atomic chain, and 0.737–0.926 eV/u.c. for the tellurium atomic chain (where u.c. stands for unit cell), depending on the approximation for the van der Waals interaction and the numerical tool chosen. The GW electronic band gap turned out to be 5.22–5.47 (4.44–4.59) eV for the Se (Te) atomic chains, with the lowest bound obtained with the Godby-Needs (GN), and the upper bound to the Hybertsen-Louie (HL) plasmon-pole models (PPMs). The binding energy of the ground-state excitonic state ranges between 2.69 and 2.72 eV for selenium chains within the HL and GN PPM, respectively, and it turned out to be 2.35 eV for tellurium chains with both approximations. In conclusion, the ground-state excitonic wave function is localized within 50 Å along the axis for both types of atomic chains, and its energy lies within the visible spectrum: blue [2.50(GN)–2.78(HL) eV] for selenium and yellow-green [2.09(GN)–2.28(HL) eV] for tellurium, which could be useful for LED applications in the visible spectrum.

74 ATOMIC AND MOLECULAR PHYSICS↗

A Subgrid Approach for Modeling Microtopography Effects on Overland Flow: Modeling Archive

This Modeling Archive is in support of an NGEE Arctic publication. A new subgrid model was implemented in the Advanced Terrestrial simulator (ATS) to capture micro-topography effects on surface flow. Model evaluation was performed on disparate landscapes including: 1) seven individual ice-wedge polygons and a cluster of ice-wedge polygons from Barrow Alaska, 2) hummocky microtopography from Spruce field site in Minnesota, 3) synthetic rills, and 4) synthetic multGaussian realizations. Results of the subgrid model are compared to benchmark (fine-scale) and null hypothesis (model ignoring microtopography). Our finding confirms that the effects of small-scale spatial heterogeneities can be captured in the coarsened models. The dataset contains variety of files including meshes, input files, and subgrid parameters required to run the simulations. Python scripts (jupyter notebooks) for post-processing and files for geometric analyses are also included. More details are provided in file "simulations_info", which has been provided in both .docx and .pdf formats. This dataset is a zip file.The Next-Generation Ecosystem Experiments: Arctic (NGEE Arctic), was a research effort to reduce uncertainty in Earth System Models by developing a predictive understanding of carbon-rich Arctic ecosystems and feedbacks to climate. NGEE Arctic was supported by the Department of Energy's Office of Biological and Environmental Research.The NGEE Arctic project had two field research sites: 1) located within the Arctic polygonal tundra coastal region on the Barrow Environmental Observatory (BEO) and the North Slope near Utqiagvik (Barrow), Alaska and 2) multiple areas on the discontinuous permafrost region of the Seward Peninsula north of Nome, Alaska.Through observations, experiments, and synthesis with existing datasets, NGEE Arctic provided an enhanced knowledge base for multi-scale modeling and contributed to improved process representation at global pan-Arctic scales within the Department of Energy's Earth system Model (the Energy Exascale Earth System Model, or E3SM), and specifically within the E3SM Land Model component (ELM).

54 ENVIRONMENTAL SCIENCES↗

Derivation of low-energy Hamiltonians for heavy-fermion materials

Here, by utilizing a multiorbital periodic Anderson model with parameters obtained from ab initio band structure calculations, combined with degenerate perturbation theory, we derive effective Kondo-Heisenberg and spin Hamiltonians that capture the interaction among the effective magnetic moments. This derivation encompasses fluctuations via both nonmagnetic 4⁢𝑓 0 and magnetic 4⁢𝑓 2 virtual states, and its accuracy is confirmed through comparison with experimental data obtained from CeIn 3 . The significant agreement observed between experimental results and theoretical predictions underscores the potential of deriving minimal models from first-principles calculations for achieving a quantitative description of 4⁢𝑓 materials. Moreover, our microscopic derivation unveils the underlying origin of anisotropy in the exchange interaction between Kramers doublets, shedding light on the conditions under which this anisotropy may be weak compared to the isotropic contribution.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Improved CO 2 Capture Performance of Electrochemically Mediated Amine Regeneration Processes with Ionic Surfactant Additives

For the effective reduction of global CO 2 emissions, it is essential to develop and deploy efficient and cost-effective technologies for CO 2 capture, especially from large point sources. We recently developed an electrochemically mediated amine regeneration (EMAR) system to replace traditional thermal desorption for the capture of CO 2 from post-combustion flue gases. Despite EMAR effectiveness on a laboratory scale, concerns regarding the high gas-to-liquid ratio in the electrochemical cell and long-term instability of the electrodes need to be addressed before further scale-up of the process to a pilot plant and beyond can be entertained. Accordingly, we investigated the effect of using sodium dodecyl sulfate (SDS) as an anionic surfactant and dodecyltrimethylammonium bromide (DTAB) as a cationic surfactant on the process operation. It was found that it is advantageous to use an anionic surfactant for a system such as EMAR that contains hydrophilic electrodes and a positively charged electrochemically active species. The overall cell resistance was notably reduced when SDS anionic surfactant was used. The precipitation of copper particles observed in the anode outlet when no surfactant was used was effectively avoided when SDS was added to the electrolyte, resulting in electrode stability. In addition, smaller gas bubbles were produced in the presence of the SDS surfactant, which resulted in less blockage of the electrode by the gas with a resultant lower cell potential under constant current conditions, driving more efficient CO 2 desorption. This led to an ~25% reduction in the electrochemical energy requirement, the lowest ever achieved experimentally for the EMAR process. Altogether, the addition of a very low concentration of SDS resulted in the successful circumvention of the important problems faced by the EMAR system regarding further scale-up.

36 MATERIALS SCIENCE↗

{sup 99}Mo Production at KIPT Neutron Source Facility

Argonne National Laboratory (ANL) and Kharkov Institute of Physics and Technology (KIPT) have cooperated on the construction of the Neutron Source Facility (NSF) at KIPT, Kharkov (Ukraine). The NSF facility consists of an electron accelerator driven system (ADS) generating 300 kW of thermal power for multiple applications, including medical isotope production. ANL performed extensive analyses including medical isotopes production, reactivity monitoring, operations and control, refueling, cold neutron source design, target design,and radiation shielding. The present study focuses on the use of the KIPT NSF for medical isotope production. Medical isotopes are radioactive isotopes with short half-lives used in diagnostic and therapeutic medical procedures. For example, brain cancer is difficult to treat by ordinary surgery and only brachytherapy with {sup 131}Cs, which has 9.7 days half-life, has shown effective results on the patients. {sup 99m}Tc is the most common medical isotope used in medical diagnoses because the wavelength of its gamma radiation (8.8 pm) is about the same as the conventional X-ray diagnostic devices. {sup 99m}Tc has 6 hours half-life, therefore it cannot be stored because it decays into {sup 99}Tc. The parent of {sup 99m}Tc is {sup 99}Mo, which has 66 hours half-life. Consequently, the delivery of {sup 99m}Tc occurs through shipping {sup 99}Mo samples to the medical facilities. The Neutron Source Facility of KIPT is the first ADS in the world operating at non-zero power and allows producing several isotopes for medical applications. The total power of the facility is about 300 kW, including ∼200 kW from fission reactions. The construction of the NSF has been already completed and operations will start during year 2016. After 20 irradiation days, {sup 82}Br, {sup 64}Cu, {sup 165}Dy, {sup 166}Ho, {sup 192}Ir, {sup 194}Ir, {sup 186}Re, {sup 188}Re and {sup 153}Sm have specific activities, larger than 100 MBq/mg without taking into account the self-shielding effect and therefore they are good candidates for production. The self-shielding effect plays an important role for all nuclide parents that have a large microscopic capture cross section. This effect reduces the reaction rate and therefore the specific activity. For instance, the analyses of molybdenum trioxide (MoO{sub 3}) irradiation samples have shown that the self-shielding effect may reduce the specific activity by a factor 1.4. The metallic form of natural molybdenum produces a higher specific activity, relative to the trioxide form. Analyses on the 6-day Ci {sup 99}Mo activity have shown that is possible to perform between 40 to 310 {sup 99m}Tc medical procedures per MoO{sub 3} irradiation week. The number of medical procedures depends on the diagnosed organ and the weight of the patient. (authors)

07 ISOTOPE AND RADIATION SOURCES↗

Patterns of Canopy and Surface Layer Consumption in a Boreal Forest Fire from Repeat Airborne Lidar

Fire in the boreal region is the dominant agent of forest disturbance with direct impacts on ecosystem structure, carbon cycling, and global climate. Global and biome-scale impacts are mediated by burn severity, measured as loss of forest canopy and consumption of the soil organic layer. To date, knowledge of the spatial variability in burn severity has been limited by sparse field sampling and moderate resolution satellite data. Here, we used pre- and post-fire airborne lidar data to directly estimate changes in canopy vertical structure and surface elevation for a 2005 boreal forest fire on Alaskas Kenai Peninsula. We found that both canopy and surface losses were strongly linked to pre-fire species composition and exhibited important fine-scale spatial variability at sub-30m resolution. The fractional reduction in canopy volume ranged from 0.61 in lowland black spruce stands to 0.27 in mixed white spruce and broad leaf forest. Residual structure largely reflects standing dead trees, highlighting the influence of pre-fire forest structure on delayed carbon losses from above ground biomass, post-fire albedo, and variability in understory light environments. Median loss of surface elevation was highest in lowland black spruce stands (0.18 m) but much lower in mixed stands (0.02 m), consistent with differences in pre-fire organic layer accumulation. Spatially continuous depth-of-burn estimates from repeat lidar measurements provide novel information to constrain carbon emissions from the surface organic layer and may inform related research on post-fire successional trajectories. Spectral measures of burn severity from Landsat were correlated with canopy (r = 0.76) and surface (r = -0.71) removal in black spruce stands but captured less of the spatial variability in fire effects for mixed stands (canopy r = 0.56, surface r = -0.26), underscoring the difficulty in capturing fire effects in heterogeneous boreal forest landscapes using proxy measures of burn severity from Landsat.

Alonzo, Michael↗

Enabling communication concurrency through flexible MPI endpoints

MPI defines a one-to-one relationship between MPI processes and ranks. This model captures many use cases effectively; however, it also limits communication concurrency and interoperability between MPI and programming models that utilize threads. This paper describes the MPI endpoints extension, which relaxes the longstanding one-to-one relationship between MPI processes and ranks. Using endpoints, an MPI implementation can map separate communication contexts to threads, allowing them to drive communication independently. Endpoints also enable threads to be addressable in MPI operations, enhancing interoperability between MPI and other programming models. These characteristics are illustrated through several examples and an empirical study that contrasts current multithreaded communication performance with the need for high degrees of communication concurrency to achieve peak communication performance.

Communication↗

Progress on Optimizing Wind Farms and Rotor Designs Using Adjoints

Modern wind plants are increasingly tasked with multiple performance objectives. In addition to designing plants that maximize power output and minimize the levelized cost of energy (LCOE), the design and operation of wind plants is increasingly influenced by challenges regarding grid integration of variable generation renewables. This places a growing emphasis on making wind plants more controllable and predictable. WindSE is a Reynolds-averaged Navier-Stokes (RANS) model designed around analytical gradient and adjoint methods, with the ability to capture terrain-induced effects, as shown in Figure 1. The recent addition of an unsteady solver with an actuator line method (ALM) and ongoing work to enable massively parallel optimizations gives it a unique niche to explore coupled plant-level controls and design problems. This code is an open source python package built on the FEniCS framework that utilizes fast, parallel PETSc solvers to model fluid flow throughout wind-farm scale domains. Two recent studies performed using WindSE demonstrate the capability to optimize under a wide variety of flow conditions and objective functions. In the first, we present an optimization focused on modifying the layout of a wind farm with a fixed number of turbines for maximum total power output [1]. This study highlights the ability to quickly perform simulations using the steady Navier-Stokes solver combined with rotors represented as actuator disks while also stressing the importance of capturing terrain-induced effects. Gradient-based optimization using the RANS equations is viable due to the inclusion of efficiently computed adjoint derivatives. We interpret the physical results of the optimal layout and also discuss the computational cost of scaling to larger problems. In the second study, we present the capabilities of the unsteady Navier-Stokes solver, where rotor-blade profiles represented by actuator lines are optimized to enhance wake steering effects and overall power production [2]. We quantify the wind plant performance gains obtained from this type of simultaneous control co-design optimization as compared to optimizing the blade design and yaw independently. Figure 2 shows the differences between a baseline two-turbine system and an optimized system where we fine-tune the blade chord profile. Results and challenges from each study are quickly summarized and used to motivate the current development efforts within WindSE. Current and future work is focused on enabling higher-resolution studies with more degrees of freedom through parallelization of both the simulation and optimization algorithms. We present benchmarking results to show that WindSE performs well in both weak- and strong-scaling tests and further demonstrate that the optimizer obtains the same convergence rates in both shared- and distributed-memory environments. Using larger wind farms, we can study deep-array effects within an optimization context, allowing the use of objective functions that have been previously unstudied. As an example, we present ongoing work on a blockage metric which characterizes the loss of available kinetic energy due to wake effects from multiple upstream turbines.

adjoint optimization↗