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At least 631 records · Page 35

Abstract for CRADA among National Energy Technology Laboratory, Research Triangle Institute, Lawrence Livermore National Laboratory, and Los Alamos National Laboratory (AGMT-0921)

Through the Carbon Capture Simulation for Industry Impact (CCSI 2 ) project, the National Energy Technology Laboratory (NETL), Lawrence Livermore National Laboratory (LLNL), and Los Alamos National Laboratory (LANL) (herein collectively “the CCSI 2 team”) will collaborate through a CRADA with the Research Triangle Institute (RTI). This collaboration will develop a modeling framework of RTI’s Non-Aqueous Solvent (NAS) process using physical and thermodynamic data and models previously developed by RTI. RTI will provide existing models and data on its NAS system to inform the model construction effort by the CCSI 2 team.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

ION Configuration Editor

The configuration of ION (Inter - planetary Overlay Network) network nodes is a manual task that is complex, time-consuming, and error-prone. This program seeks to accelerate this job and produce reliable configurations. The ION Configuration Editor is a model-based smart editor based on Eclipse Modeling Framework technology. An ION network designer uses this Eclipse-based GUI to construct a data model of the complete target network and then generate configurations. The data model is captured in an XML file. Intrinsic editor features aid in achieving model correctness, such as field fill-in, type-checking, lists of valid values, and suitable default values. Additionally, an explicit "validation" feature executes custom rules to catch more subtle model errors. A "survey" feature provides a set of reports providing an overview of the entire network, enabling a quick assessment of the model s completeness and correctness. The "configuration" feature produces the main final result, a complete set of ION configuration files (eight distinct file types) for each ION node in the network.

Borgen, Richard L.↗

Coupled Data Assimilation for Integrated Earth System Analysis and Prediction: Goals, Challenges, and Recommendations

The purpose of this report is to identify fundamental issues for coupled data assimilation (CDA), such as gaps in science and limitations in forecasting systems, in order to provide guidance to the World Meteorological Organization (WMO) on how to facilitate more rapid progress internationally. Coupled Earth system modeling provides the opportunity to extend skillful atmospheric forecasts beyond the traditional two-week barrier by extracting skill from low-frequency state components such as the land, ocean, and sea ice. More generally, coupled models are needed to support seamless prediction systems that span timescales from weather, subseasonal to seasonal (S2S), multiyear, and decadal. Therefore, initialization methods are needed for coupled Earth system models, either applied to each individual component (called Weakly Coupled Data Assimilation - WCDA) or applied the coupled Earth system model as a whole (called Strongly Coupled Data Assimilation - SCDA). Using CDA, in which model forecasts and potentially the state estimation are performed jointly, each model domain benefits from observations in other domains either directly using error covariance information known at the time of the analysis (SCDA), or indirectly through flux interactions at the model boundaries (WCDA). Because the non-atmospheric domains are generally under-observed compared to the atmosphere, CDA provides a significant advantage over single-domain analyses. Next, we provide a synopsis of goals, challenges, and recommendations to advance CDA: Goals: (a) Extend predictive skill beyond the current capability of NWP (e.g. as demonstrated by improving forecast skill scores), (b) produce physically consistent initial conditions for coupled numerical prediction systems and reanalyses (including consistent fluxes at the domain interfaces), (c) make best use of existing observations by allowing observations from each domain to influence and improve the full earth system analysis, (d) develop a robust observation-based identification and understanding of mechanisms that determine the variability of weather and climate, (e) identify critical weaknesses in coupled models and the earth observing system, (f) generate full-field estimates of unobserved or sparsely observed variables, (g) improve the estimation of the external forcings causing changes to climate, (h) transition successes from idealized CDA experiments to real-world applications. Challenges: (a) Modeling at the interfaces between interacting components of coupled Earth system models may be inadequate for estimating uncertainty or error covariances between domains, (b) current data assimilation methods may be insufficient to simultaneously analyze domains containing multiple spatiotemporal scales of interest, (c) there is no standardization of observation data or their delivery systems across domains, (d) the size and complexity of many large-scale coupled Earth system models makes it is difficult to accurately represent uncertainty due to model parameters and coupling parameters, (e) model errors lead to local biases that can transfer between the different Earth system components and lead to coupled model biases and long-term model drift, (e) information propagation across model components with different spatiotemporal scales is extremely complicated, and must be improved in current coupled modeling frameworks, (h) there is insufficient knowledge on how to represent evolving errors in non-atmospheric model components (e.g. as sea ice, land and ocean) on the timescales of NWP.

CDA↗

Fuel Bonding and its Impact on Axial Gas Communication Behavior in Light-Water Reactor Fuel Rods

Axial gas communication concerns the flow along the axial axis of nuclear fuel rods during ramp and loss of coolant accident (LOCA) conditions. During power ramps, the higher linear heat generation rate may cause fuel-to-clad gap closure that may prevent transport of released fission gases to the plenum. Upon reduction in power the gas then can communicate to the plenum. This phenomenon has been experimentally observed by short power dips during ramp experiments completed at the Risø reactor. At higher burnups it is observed that the UO2 fuel and Zircaloy cladding forms a chemical bond. This bond results in complete closure of the gap. When these high burnup rods are subjected to a LOCA, the bond has implications on both the mechanical response (i.e., ballooning) of the cladding and subsequent fuel relocation and axial gas communication. In the LOCA scenario, gas communication is of interest in two different regimes: 1) pre-rupture communication from the plenum towards the lower pressure ballooning area and 2) the post-rupture depressurization of the plenum to the external system pressure. In both regimes the presence of a fuel-to-cladding bond will impact the rate of depressurization. In this work we present a fuel-to-clad bonding model that is coupled to an existing axial gas communication model framework in the BISON fuel performance code. The effect of considering the bond on fuel performance modeling predictions is presented through comparisons to existing experimental data. Experiments considered include several rods from the Halden IFA-650 test series. An evaluation on a full-length rod that explores the combined effect of plenum size and bonding status on axial gas communication behavior is also presented.

11 - NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Computational Analyses of Pressurization in Cryogenic Tanks

A comprehensive numerical framework utilizing multi-element unstructured CFD and rigorous real fluid property routines has been developed to carry out analyses of propellant tank and delivery systems at NASA SSC. Traditionally CFD modeling of pressurization and mixing in cryogenic tanks has been difficult primarily because the fluids in the tank co-exist in different sub-critical and supercritical states with largely varying properties that have to be accurately accounted for in order to predict the correct mixing and phase change between the ullage and the propellant. For example, during tank pressurization under some circumstances, rapid mixing of relatively warm pressurant gas with cryogenic propellant can lead to rapid densification of the gas and loss of pressure in the tank. This phenomenon can cause serious problems during testing because of the resulting decrease in propellant flow rate. With proper physical models implemented, CFD can model the coupling between the propellant and pressurant including heat transfer and phase change effects and accurately capture the complex physics in the evolving flowfields. This holds the promise of allowing the specification of operational conditions and procedures that could minimize the undesirable mixing and heat transfer inherent in propellant tank operation. In our modeling framework, we incorporated two different approaches to real fluids modeling: (a) the first approach is based on the HBMS model developed by Hirschfelder, Beuler, McGee and Sutton and (b) the second approach is based on a cubic equation of state developed by Soave, Redlich and Kwong (SRK). Both approaches cover fluid properties and property variation spanning sub-critical gas and liquid states as well as the supercritical states. Both models were rigorously tested and properties for common fluids such as oxygen, nitrogen, hydrogen etc were compared against NIST data in both the sub-critical as well as supercritical regimes.

Ahuja, Vineet↗

Upgrades, Current Capabilities and Near-Term Plans of the NASA ARC Mars Climate

We describe and review recent upgrades to the ARC Mars climate modeling framework, in particular, with regards to physical parameterizations (i.e., testing, implementation, modularization and documentation); the current climate modeling capabilities; selected research topics regarding current/past climates; and then, our near-term plans related to the NASA ARC Mars general circulation modeling (GCM) project.

Hollingsworth, J. L.↗

The Effect of Stochastic Acceleration on the Dynamics of Solar Energetic Particles in the Heliosphere

Solar Energetic Particles (SEPs) are crucial in space weather phenomena, impacting space-based technologies and human activities in space. Understanding the dynamics of SEPs, including their acceleration and transport mechanisms, is essential for improving predictive models and mitigating adverse effects. This study investigates the impact of stochastic acceleration (SA) on the dynamics of SEPs within the heliosphere. By integrating stochastic acceleration into a SEP transport model, we assess its impact relative to diffusive shock acceleration (DSA). The investigation utilizes the Adaptive Mesh Particle Simulator (AMPS) within the Space Weather Modeling Framework (SWMF) to simulate SEP dynamics, incorporating solar wind parameters and turbulence from the Alfven Wave Solar Model (AWSoM). To do this, we solve the focused transport equation to model the propagation of SEPs along magnetic field lines, extending these lines to 5 AU to incorporate the potential effects of pitch angle scattering beyond 1 AU. This aspect could notably impact the decay phase of a SEP event. Modeling the transport of SEPs is coupled with the simulation of solar wind dynamics, the interplanetary magnetic field, and the characteristics of Alfven wave turbulence. This presentation covers the modeling approach used in this research, the characterization of the impact of the stochastic acceleration, and the role of pitch angle scattering at various heliocentric distances on the dynamics of the SEP events' decay phase.

SEP↗

A general theory of avian migratory connectivity

Birds exhibit a remarkable array of seasonal migrations. Despite much research describing migratory behaviour, the underlying forces driving how a species’ breeding and wintering populations redistribute each year, that is, migratory connectivity, remain largely unknown. Here, we test the hypothesis that birds migrate in a way that minimises energy expenditure while considering intraspecific competition for energy acquisition, by developing a modelling framework that simulates an optimal redistribution of individuals between breeding and wintering areas. Using 25 species across the Americas, we find that the model accurately predicts empirical migration patterns, and thus offers a general explanation for migratory connectivity based on first ecological and energetic principles. Our model provides a strong basis for exploring additional processes underlying the ecology and evolution of migration, but also a framework for predicting how migration impacts local adaptation across seasons and how environmental change may affect population dynamics in migratory species.

60 APPLIED LIFE SCIENCES↗

Evaluating grid stress and reliability in future electricity grids across a range of demand, generation mix, and weather trends

The reliability of power grids in the future will depend on how system planners account for the integration of new technologies, extreme weather events, and uncertainties in demand growth from increased electrification and data centers. This study introduces an open-source, multisectoral, multiscale modeling framework that projects grid stress and reliability trends between 2020 and 2055 in the Western Interconnection of the United States. The framework integrates global to national energy-water-land dynamics with power plant siting and hourly grid operations modeling. We analyze future wholesale electricity price shocks and unserved energy events across eight scenarios spanning a range of population growth and economic change, generation mixes, and weather conditions. Our results show future grids with high percentage of non-renewable generation and strong economic growth are characterized by higher reliability and lower wholesale electricity prices than lower growth scenarios because of larger reliance on dispatchable generators and lower fossil fuel extraction costs. Scenarios with high percentage of renewable resources have lower median but more volatile wholesale electricity prices as well as more frequent and severe unserved energy events compared to scenarios relying more on dispatchable generators. These events occur because higher proportion of solar and wind energy causes net demand curves to deepen during midday (duck curves get progressively severe), exacerbating the challenge of meeting demand during summer evening peaks. This study suggests that robust and co-optimized transmission and energy storage planning could help maintain low wholesale electricity prices and high reliability levels in future electricity grids across uncertainties in generation mixes.

Electric grid reliability↗

Experimental and numerical study of the effects of solution concentration and temperature on concrete under external sulfate attack

The work reports on an experimental programme, conducted to validate comprehensively our previously proposed coupled chemo-transport model for external sulfate attack on concrete. Specifically, the effects of the concentration of sulfate solution and temperature on the distribution of sulfate ions in concrete are experimentally investigated and used to demonstrate the accuracy of the modeling framework. Further, the profile of aluminate depletion and the leaching depth numerically are investigated. For all cases the model predictions are in good agreement with the experimental results, showing increases of the concentration of sulfate ions in concrete with higher concentrations of sulfate solution and higher temperatures. It is concluded that higher sulfate solution concentration and temperature enhance the processes involved in the external sulfate attack on concrete, namely diffusion of sulfate ions and their chemical reactions with concrete. It is found that these parameters affect the external sulfate attack predominantly via the chemical reaction process.

36 MATERIALS SCIENCE↗

Unifying Advective and Diffusive Descriptions of Bedform Pumping in the Benthic Biolayer of Streams

Abstract Many water quality and ecosystem functions performed by streams occur in the benthic biolayer, the biologically active upper (~5 cm) layer of the streambed. Solute transport through the benthic biolayer is facilitated by bedform pumping, a physical process in which dynamic and static pressure variations over the surface of stationary bedforms (e.g., ripples and dunes) drive flow across the sediment‐water interface. In this paper we derive two predictive modeling frameworks, one advective and the other diffusive, for solute transport through the benthic biolayer by bedform pumping. Both frameworks closely reproduce patterns and rates of bedform pumping previously measured in the laboratory, provided that the diffusion model's dispersion coefficient declines exponentially with depth. They are also functionally equivalent, such that parameter sets inferred from the 2D advective model can be applied to the 1D diffusive model, and vice versa. The functional equivalence and complementary strengths of these two models expand the range of questions that can be answered, for example, by adopting the 2D advective model to study the effects of geomorphic processes (such as bedform adjustments to land use change) on flow‐dependent processes and the 1D diffusive model to study problems where multiple transport mechanisms combine (such as bedform pumping and turbulent diffusion). By unifying 2D advective and 1D diffusive descriptions of bedform pumping, our analytical results provide a straightforward and computationally efficient approach for predicting, and better understanding, solute transport in the benthic biolayer of streams and coastal sediments.

Grant, Stanley B.↗

Assessment of Warm and Dry Bias over ARM SGP Site in E3SMv2 and E3SM-MMF

Abstract Many climate models exhibit a dry and warm bias over the central United States during the summer months, including the Energy Exascale Earth System Model (E3SM) and its Multiscale Modeling Framework (MMF) configuration. Understanding the causes of this bias is important to shine a light on this common model error and reduce the uncertainty in future projections. In this study, we use E3SMv2 and E3SM-MMF to assess how parameterized and resolved convection affect temperature and precipitation biases over the Southern Great Plains site of the Atmospheric Radiation Measurement program. Both configurations overestimate near-surface temperature and underestimate precipitation at the ARM SGP site. The bias is associated with a lack of low-level clouds during days without precipitation and too much incoming solar radiation causing the surface to warm. Low-level cloud fraction in E3SM-MMF during the nonprecipitating days is lower in comparison to E3SMv2 and observation, consistent with the larger warm bias. We also find that the underestimated precipitation can be characterized as “too frequent, too weak” in E3SMv2 and “too rare, too intense” in E3SM-MMF. These deficiencies conspire to sustain the warm and dry bias over the central United States.

54 ENVIRONMENTAL SCIENCES↗

Integrating Concentrating Solar Power Technologies into the Hybrid Optimization and Performance Platform (HOPP)

As the world increases renewable energy deployment, there is an increasing interest in hybridizing various generation and storage technologies to maximize net benefit to the developer and/or off-taker. A particularly interesting combination of renewable technologies is concentrating solar power (CSP) with thermal energy storage (TES), photovoltaics (PV), and electrochemical battery energy storage (BESS). Due to the system complexity of CSP technology, it is difficult to evaluate the technological and financial performance of a CSP-PV hybrid system without detailed modeling of annual operations. To address this challenge, we have developed a modeling framework for evaluating the performance and financial viability of CSP systems hybridized with PV and battery technologies. This modeling effort incorporates CSP tower and trough systems into an existing modeling tool recently developed by NREL referred to as the Hybrid Optimization and Performance Platform (HOPP). This report outlines the modeling methodology as well as preliminary results from example case studies conducted using the model. The methodology describes: (i) the integration of CSP tower and troughs into HOPP using python interfaces to access System Advisor Model (SAM) underlining technology models, (ii) the mathematical formulation of the mixed integer linear program dispatch optimization model which optimizes operations of storage asset to either maximize system revenue or minimize operating cost while load following, (iii) the design analysis methods implemented within HOPP, and (iv) simulation clustering for the purposes of reducing computational expense. We exercise the model using a case study of a future scenario where we assume (i) CSP and PV technologies achieve the 2030 cost targets provided by the Solar Energy Technologies Office (SETO), (ii) battery costs reduce to the 2030 mid cost projection presented by NREL. Lastly, (iii) electricity prices for southern California in 2030 are provided by NREL's Cambium database, and (iv) a capacity payment of $150/kW-yr based on the system capacity factor during the to 100 net-load hours.

14 SOLAR ENERGY↗

Model Diagnostics for Equation Oriented Models: Roadblocks and the Path Forward

This poster was presented at the Foundations of Computer Aided Process Design (FOCAPD) 2024 conference with a paper describing efforts to develop a unified workflow and toolbox for diagnosing issues in equation-oriented models as part of the IDAES modeling framework. The poster presents the work currently underway within the IDAES project to develop and integrate cutting edge model analysis techniques into a common toolbox and workflow for model developers to use.

Lee, Andrew↗

Solar Decarbonization of Paraffin Dehydrogenation Through Particle Heat Carriers (Final Technical Report)

This project focuses on solutions to decarbonize high-temperature catalytic processes using solar thermal heat. The primary project goal is to show the validity of a moving packed bed reactor for propane dehydrogenation using catalyst particles as the heat carrier for the reaction, which can be heated by concentrated solar energy in a particle receiver. This concept, if further developed, may provide a cost-effective pathway for converting lower value gases to important chemical precursors for industrial materials using only renewable energy. The project was divided into six tasks. In Task 1, DFT calculations were performed to understand the role of Pt and Sn in the catalytic dehydrogenation reaction. In Task 2 chemical kinetics measurements were made for several catalyst formulations at high temperatures. In Task 3, the solar absorptance of catalyst particles was compared to the absorptance of commonly used materials in particle receivers. In Task 4, numerical models were developed which could predict performance of the complete system and predict specific temperatures in the system. In Task 5, a prototype system was designed, fabricated, and tested to show the validity of the concept. Task 6 concerned project management activities. Experiments with the prototype showed repeatable thermal performance at temperatures targeted for the reaction. A limited set of tests were done with active catalyst and propane dehydrogenation, showing conversion of propane to propylene with a range of conversions and selectivities. The results are promising, and the prototype designed was reliable during testing, and the team expects that further development of the prototype would yield improved results. A numerical model framework based on coupled fluid and particle mechanics was developed with high computational efficiency using GPU calculations. The model may prove highly useful for evaluating other high-temperature particle systems. However, it was determined that simpler porous media models were good fits for the needs of the current moving packed bed concept. Data showing strong solar absorption of the particles validates the plan of using existing solar particle receivers with only a change in the particle type. Catalyst investigation showed that Pt 1 Sn 3 is the most viable candidate for developing PtSn catalysts for high temperature propane dehydrogenation, considering the balance of activity, selectivity, and deactivation. This project completed an initial study of various factors needed to incorporate a moving bed catalytic reactor for propane dehydrogenation into a concentrated solar thermal particle system. Future developments may allow this technology to be scaled up and help to use solar thermal energy to decarbonize not only the propane dehydrogenation reaction, but other gas-solid catalytic reactions at similar temperatures.

14 SOLAR ENERGY↗

Modelling and Optimizing CSP-PV Hybrid Systems Using the Hybrid Optimization and Performance Platform (HOPP)

The hybridization of concentrating solar power (CSP) with thermal energy storage (TES), photovoltaics (PV), and electrochemical battery energy storage systems (BESS) has the potential to provide continuous, high-capacity-factor energy production at a lower cost than a PV-BESS or CSP with TES alone. Because of the system complexity of CSP technology, it is challenging to evaluate the technological and financial performance of a CSP-PV hybrid system without detailed modeling of annual operations. To address this challenge, we have developed a modeling framework for evaluating the performance and financial viability of CSP systems hybridized with PV and BESS technologies. This modeling effort incorporates CSP tower and trough configurations into an existing modeling tool recently developed by NREL, the Hybrid Optimization and Performance Platform (HOPP). This paper provides a brief overview of our methodology, as well as an example case study. CSP with TES hybridized with PV provides the best benefit-to-cost ratio compared to the other simulated technology combinations. However, for the conditions considered, this configuration only increases the benefit-to-cost ratio by about 1% compared to the CSP with TES configuration. The PV-BESS system provides the lowest benefit-to-cost ratio compared to the other configurations explored because of the relatively low capacity credit received by the system.

Hamilton, William (ORCID:0000000244654239)↗

Model Diagnostics for Equation Oriented Models: Roadblocks and the Path Forward

Conference paper for FOCAPD24 describing efforts to develop a unified workflow and toolbox for diagnosing issues in equation-oriented models as part of the IDAES modeling framework. The paper presents the work currently underway within the IDAES project to develop and integrate cutting edge model analysis techniques into a common toolbox and workflow for model developers to use.

Lee, Andrew↗

Modelling and Simulation of a Thermoelectric Heat Pump with Micro-Channel Heat Transfer

Thermoelectric heat pumps (TEHPs) have advantages of modularity and simple design for heating and cooling in some applications. Models of thermoelectric (TE) heat pumps are widely studied. Nevertheless, most existing modeling work focuses on the TE material or air-sourced TE modules. TEHP modeling, especially the relationship between modules and heat exchangers, has not been comprehensively conducted. This work presents a water-to-water TEHP modeling framework that combines Goldsmid’s approach for TE material performance, Gnielinski’s correlation for convective heat transfer, and thermal balance theory for heat exchange networks. This combined framework provides an accurate theoretical analysis of the water-to-water TEHP system. Subsequently, the framework was used to empirically determine TE material properties (electric resistivity, thermal conductivity, and Seebeck coefficient) that minimize modeling errors versus experimentally observed values from the literature. Finally, an additional set of experimental TEHP data was used to validate the model, all with relative absolute deviations of approximately 10% when predicting heating capacity and 10%–20% when forecasting cooling capacity at a 30 K temperature lift. For future work, people can further develop models of TEHPs with an air-based heat sink on one side and water channels on the other side.

Wan, Hanlong↗