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At least 775 records · Page 43

Combined TREAT-LOC and SATS LOCA Experiment Plan: Integral LOCA Experiments on High-Burnup Fuels

The Transient Reactor Test Facility (TREAT) loss-of-coolant (LOC) and high-burnup (HBu) experiment series, along with the Severe Accident Test Station (SATS) HBu experiment series, are integral LOC accident (LOCA) experiments planned under the DOE AFC program, which aim to support burnup extension needs by addressing identified R&D priorities in order to achieve an improved understanding of fuel fragmentation, relocation, and dispersal (FFRD) of HBu fuel during LOCA events. The data produced under this plan will be used to further validate and confirm existing models and inform future R&D and model development. The experimental program has been specifically designed to address knowledge gaps and opportunities identified through a detailed review of existing public knowledge on LOCA FFRD. The test program employs a unique combination of in- and out-of-pile experimental approaches and state-of-the-art facilities to provide a clear connection to the existing integral and semi-integral LOCA experiment database. The primary goal of the program is to investigate the impact of prototypic HBu fuel/cladding thermomechanical behaviors under postulated LWR LOCA conditions that have not yet been fully studied. These conditions correspond with prototypic decay-energy heatup (DEH) and stored-energy heatup (SEH) conditions. Importantly, TREAT’s unique capability will enable the first evaluation of the impact of SEH conditions on HBu fuels. The test program will emphasize the development of an improved mechanistic understanding of key experimental phenomena through independent experimental systems, development of a database to support fuel performance modeling tools and employing world-leading advanced materials characterization and in-situ diagnostics to evaluate FFRD. The results of the program will provide novel data to support modeling development and validation and will represent a significant advancement in evaluating prototypic conditions, as well as to inform the technical basis for LOCA-induced FFRD.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

Evaluation of the Williams-type spring wheat model in North Dakota and Minnesota

The Williams type model, developed similarly to previous models of C.V.D. Williams, uses monthly temperature and precipitation data as well as soil and topological variables to predict the yield of the spring wheat crop. The models are statistically developed using the regression technique. Eight model characteristics are examined in the evaluation of the model. Evaluation is at the crop reporting district level, the state level and for the entire region. A ten year bootstrap test was the basis of the statistical evaluation. The accuracy and current indication of modeled yield reliability could show improvement. There is great variability in the bias measured over the districts, but there is a slight overall positive bias. The model estimates for the east central crop reporting district in Minnesota are not accurate. The estimate of yield for 1974 were inaccurate for all of the models.

Leduc, S.↗

High-Temperature Latent Heat Storage System using Transportable Heat Pipes for Versatile Integration with Emerging Microreactors

With the growing interest in the development of micro nuclear reactors and their application to microgrid, high-temperature thermal energy storage (TES) has also been receiving great attention as a technology to reinforce the energy utilization and profitability of this class of reactors. Given the importance and research needs of the TES technology, a research project is underway at Idaho National Laboratory (INL) to develop high-temperature TES that can be easily interfaced with emerging micro nuclear reactors. Currently under development is the Heat pipe-Integrated Thermal Battery (HITB), a novel latent heat storage design that enables flexible and robust integration with any design of currently considered micro nuclear reactors. The development of detailed design based on the proposed TES concept, HITB, requires not only development and validation of modeling and simulation capabilities, but also research that spans thermal performance analysis, component- and system-scale design optimization, and experimental demonstrations including high-temperature feasibility testing. The current research efforts (and plans) are divided into the following four areas: (i) Thermal and structural modeling and analysis at both system- and component-scales for evaluating performance and conducting design optimization, (ii) Small-scale experimental demonstrations for the key components of the proposed HITB design, (iii) Modelica-based dynamic model development for developing a control strategy under dynamic operation within integrated energy systems configuration, (iv) Integrated experimental testing and demonstration. This paper introduces the overall research efforts that have been and are being conducted to develop and demonstrate the novel design of the high-temperature latent heat storage device, HITB. The key design features, ongoing research efforts including the development of modeling and simulation capabilities, small-scale demonstrations of the HITB’s key functionalities prior to scaled-up experimental demonstration, are discussed. Then, this paper concludes with a remark on the future research plans for this project.

25 ENERGY STORAGE↗

Combined TREAT-LOC & SATS Integral LOCA Experiment Plan

The Transient Reactor Test Facility (TREAT) loss-of-coolant (LOC) and highburnup (HBu) experiment series, along with the Severe Accident Test Station (SATS) HBu experiment series, are integral LOC accident (LOCA) experiments planned under the Department of Energy (DOE) Advanced Fuels Campaign (AFC) program, which aims to support burnup extension needs by addressing identified R&D priorities in order to achieve an improved understanding of fuel fragmentation, relocation, and dispersal (FFRD) of HBu fuel during LOCA events. Priorities have been identified by the Electric Power Research Institute (EPRI)’s Collaborative Research on Advanced Fuel Technologies (CRAFT) Fuel Performance and Testing Technical Experts Group (FPTTEG). The data produced under this plan will be used to further validate and confirm existing models and inform future R&D and model development. The experimental program was specifically developed to address data gaps and opportunities identified via detailed review of the existing public knowledge base on LOCA FFRD, as well as reviewing specific experimental development activities regarding prototypic LOCA conditions for light-water reactor (LWR) systems. The test program relies on a unique combination of in- and out-of-pile experimental approaches to provide a clear tieback to the existing integral and semi-integral LOCA experiment database, using state-of-the-art facilities. More importantly, the program will systematically investigate the impacts of prototypic HBu fuel/cladding thermomechanical behaviors under postulated LWR LOCA conditions not yet fully investigated. These conditions correspond with prototypic decay-energy heatup (DEH) and stored-energy heatup (SEH) conditions. First, TREAT’s unique capability will enable the first evaluation of the impact of SEH conditions on HBu fuels. The test program will emphasize the development of an improved mechanistic understanding of key phenomena through independent experimental systems, development of a database to support fuel performance modeling tools, world-leading advanced materials characterization, and the most advanced approach to in situ diagnostics ever deployed to evaluate FFRD. The results will represent a significant leap forward in evaluating prototypic conditions and novel data to support modeling development and validation, as well as to inform the technical basis for LOCA-induced FFRD.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Pros, Cons, and Alternatives to Weight Based Cost Estimating

Many cost estimating tools use weight as a major parameter in projecting the cost. This is often combined with modifying factors such as complexity, technical maturity of design, environment of operation, etc. to increase the fidelity of the estimate. For a set of conceptual designs, all meeting the same requirements, increased weight can be a major driver in increased cost. However, once a design is fixed, increased weight generally decreases cost, while decreased weight generally increases cost - and the relationship is not linear. Alternative approaches to estimating cost without using weight (except perhaps for materials costs) have been attempted to try to produce a tool usable throughout the design process - from concept studies through development. This paper will address the pros and cons of using weight based models for cost estimating, using liquid rocket engines as the example. It will then examine approaches that minimize the imp~ct of weight based cost estimating. The Rocket Engine- Cost Model (RECM) is an attribute based model developed internally by Pratt & Whitney Rocketdyne for NASA. RECM will be presented primarily to show a successful method to use design and programmatic parameters instead of weight to estimate both design and development costs and production costs. An operations model developed by KSC, the Launch and Landing Effects Ground Operations model (LLEGO), will also be discussed.

Joyner, Claude R.↗

Application of community data to surface complexation modeling framework development: Iron oxide protolysis

This study presents a comprehensive community data-driven surface complexation modeling framework for simulating potentiometric titration of mineral surfaces. Compiled community data for ferrihydrite, goethite, hematite, and magnetite are fit to produce representative protolysis constants that can reproduce potentiometric titration data collected from multiple literature sources. Using this framework, the impact of surface complexation model type and surface site density (SSD) on the fit quality and protolysis constants can be readily evaluated. For example, the non-electrostatic model yielded a poor data fit compared to diffuse double layer model and constant capacitance models due to the absence of known surface charge effects. Regardless of the choice of iron oxide mineral, pK a1 decreased with increasing SSD while the opposite tendency was observed for pK a2 . This newly developed framework demonstrates a method to reconcile community data-wide potentiometric titration data using Findable, Accessible, Interoperable, Reusable data principles to produce mineral protolysis constants that improve robustness of surface complexation models for applications in metal sorption and reactive transport modeling. The framework is readily expandable (as community data increase) and extensible (as the number of minerals increase). The framework provides a path forward for developing self-consistent, comprehensive, and updateable surface complexation databases for surface complexation and reactive transport modeling.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

The effect of modeled turbulence on a hypersonic shock layer with massive ablation injection

For the first time, candidate turbulence models are analyzed for shock-layer conditions as severe as those of a Jovian entry. The various models investigated are two standard models developed primarily by Cebeci (1970) and Kendall (1972), and two modifications of the standard models developed primarily by Baldwin and Lomax (1978) and by Nicolet (1979). The analysis is conducted within the context of a new, viscous shock-layer flow-field code, to properly isolate differences in performance among the various models. This code retains all terms in the Navier-Stokes equations necessary to describe the unique flow events, and incorporates computational features that greatly facilitate the analysis of such events. The relative superiority of the turbulence models cannot be determined from this study alone; however, insight is provided into the relative severity of the various models. In addition, attention is focused on an important research area for experimental and theoretical investigation to develop realistic turbulence models.

Menees, G. P.↗

Integration of Models for the Hanford Integrated Disposal Facility Performance Assessment - 18541

The Department of Energy Office of River Protection and its contractors have performed a performance assessment for the near-surface disposal of low-level and mixed low-level waste at the Hanford Integrated Disposal Facility. The long-term performance of the Hanford Integrated Disposal Facility to be protective of human health and the environment was evaluated under the requirements of United States Department of Energy Order 435.1, Radioactive Waste Management. Computer simulations were performed to evaluate whether or not the disposal facility would comply with the performance objectives specified in the order. The evaluation was performed using numerical models to simulate source term releases from vitrified and cement-based waste forms. Source term releases were subsequently transported through the facility into the natural system beneath the facility (comprised of an 85-meter thick vadose zone and thinner but highly conductive saturated zone overlying basalt) to a point of compliance 100-meters downstream from the disposed waste. Due to the differing scales in the finite difference models developed for the source terms and those developed for the natural system, numerical models for source term release and natural system flow and transport were not directly coupled. Instead, the output from the source term simulations were used as input to the natural system flow and transport simulations. The decoupling of the modeled systems makes it difficult to explore synergies and investigate the impact of parameter uncertainties. In order to explore system synergies and evaluate parameter uncertainty, an integrated system model was developed that includes source term release models, natural system transport models, and dose calculations. This paper will describe how the numerical models were used to develop abstractions that could be incorporated into the integrated system level model that was then used to explore system synergies and parameter uncertainties. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Measurements of e p → e ' π + π – p ' cross sections with CLAS at 1.40 GeV < W < 2.0 GeV and 2.0 GeV 2 < Q 2 < 5.0 GeV 2

This study reports new exclusive cross sections for ep→e'π + π – p' using the CLAS detector at Jefferson Laboratory. These results are presented for the first time at photon virtualities 2.0 GeV 2 < Q 2 < 5.0 GeV 2 in the center-of-mass energy range 1.4 GeV < W < 2.0 GeV, which covers a large part of the nucleon resonance region. Using a model developed for the phenomenological analysis of electroproduction data, we see strong indications that the relative contributions from the resonant cross sections at W < 1.74 GeV increase with Q 2 . These data considerably extend the kinematic reach of previous measurements. Exclusive ep→e'π + π – p' cross section measurements are of particular importance for the extraction of resonance electrocouplings in the mass range above 1.6 GeV.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Aerodynamic and acoustic investigation of inverted velocity profile coannular exhaust nozzle models and development of aerodynamic and acoustic prediction procedures

Five co-annular nozzle models, covering a systematic variation of nozzle geometry, were tested statically over a range of exhaust conditions including inverted velocity profile (IVP) (fan to primary stream velocity ratio 1) and non IVP profiles. Fan nozzle pressure ratio (FNPR) was varied from 1.3 to 4.1 at primary nozzle pressure ratios (PNPR) of 1.53 and 2.0. Fan stream temperatures of 700 K (1260 deg R) and 1089 K(1960 deg R) were tested with primary stream temperatures of 700 K (1260 deg R), 811 K (1460 deg R), and 1089 K (1960 deg R). At fan and primary stream velocities of 610 and 427 m/sec (2000 and 1400 ft/sec), respectively, increasing fan radius ratio from 0.69 to 0.83 reduced peak perceived noise level (PNL) 3 dB, and an increase in primary radius ratio from 0 to 0.81 (fan radius ratio constant at 0.83) reduced peak PNL an additional 1.0 dB. There were no noise reductions at a fan stream velocity of 853 m/sec (2800 ft/sec). Increasing fan radius ratio from 0.69 to 0.83 reduced nozzle thrust coefficient 1.2 to 1.5% at a PNPR of 1.53, and 1.7 to 2.0% at a PNPR of 2.0. The developed acoustic prediction procedure collapsed the existing data with standard deviation varying from + or - 8 dB to + or - 7 dB. The aerodynamic performance prediction procedure collapsed thrust coefficient measurements to within + or - .004 at a FNPR of 4.0 and a PNPR of 2.0.

Larson, R. S.↗

Gene Regulation Networks for Modeling Drosophila Development

This chapter will very briefly introduce and review some computational experiments in using trainable gene regulation network models to simulate and understand selected episodes in the development of the fruit fly, Drosophila Melanogaster.

gene regulation morphogenesis network model↗

Predictive and mechanistic multivariate linear regression models for reaction development

Multivariate Linear Regression (MLR) models utilizing computationally-derived and empirically-derived physical organic molecular descriptors are described in this review. Several reports demonstrating the effectiveness of this methodological approach towards reaction optimization and mechanistic interrogation are discussed. A detailed protocol to access quantitative and predictive MLR models is provided as a guide for model development and parameter analysis.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

PRIME: Protein Representation Inference for Mutation Evaluation

Protein language machine learning models built upon existing ESM-2 model developed by Evolutionary Scale (evolutionaryscale.ai) and an in-house protein language model based on the BERT model developed by Google. The code also includes model training scripts and saved checkpoints from our own training using publicly available SARS-CoV-2 protein sequences.

Gibson, Kaetlyn [Los Alamos National Lab]↗

A vertically integrated snow/ice model over land/sea for climate models. I - Development. II - Impact on orbital change experiments

A vertically integrated formulation (VIF) model for sea ice/snow and land snow is discussed which can simulate the nonlinear effects of heat storage and transfer through the layers of snow and ice. The VIF demonstates the accuracy of the multilayer formulation, while benefitting from the computational flexibility of linear formulations. In the second part, the model is implemented in a seasonal dynamic zonally averaged climate model. It is found that, in response to a change between extreme high and low summer insolation orbits, the winter orbital change dominates over the opposite summer change for sea ice. For snow over land the shorter but more pronounced summer orbital change is shown to dominate.

Neeman, Binyamin U.↗

Evaluation of scenario-specific modeling approaches to predict plane of array solar irradiation

The two main objectives of this study are to evaluate the extent to which the prediction of plane of array irradiance is improved when diffuse radiation is predicted using location-specific regression models developed from onsite measured data as against using generalized models and to estimate the expected uncertainties associated with plane of array irradiance predictions under different data collection scenarios likely to be encountered in practical situations.

Moslehi, Salim↗

The Terrestrial Biosphere Model Farm

Model Intercomparison Projects (MIPs) are fundamental to our understanding of how the land surface responds to changes in climate. However, MIPs are challenging to conduct, requiring the organization of multiple, decentralized modeling teams throughout the world running common protocols. We explored centralizing these models on a single supercomputing system. We ran nine offline terrestrial biosphere models through the Terrestrial Biosphere Model Farm: CABLE, CENTURY, HyLand, ISAM, JULES, LPJ-GUESS, ORCHIDEE, SiB-3, and SiB-CASA. All models were wrapped in a software framework driven with common forcing data, spin-up, and run protocols specified by the Multi-scale Synthesis and Terrestrial Model Intercomparison Project (MsTMIP) for years 1901–2100. We ran more than a dozen model experiments. We identify three major benefits and three major challenges. The benefits include: (a) processing multiple models through a MIP is relatively straightforward, (b) MIP protocols are run consistently across models, which may reduce some model output variability, and (c) unique multimodel experiments can provide novel output for analysis. The challenges are: (a) technological demand is large, particularly for data and output storage and transfer; (b) model versions lag those from the core model development teams; and (c) there is still a need for intellectual input from the core model development teams for insight into model results. A merger with the open-source, cloud-based Predictive Ecosystem Analyzer (PEcAn) ecoinformatics system may be a path forward to overcoming these challenges.

54 ENVIRONMENTAL SCIENCES↗

Reduction of solar cell efficiency by edge defects across the back-surface-field junction - A developed perimeter model

Material imperfections, impurity clusters and fabrication defects across the back-surface-field junction can degrade the performance of high-efficiency solar cells. The degradation from defects appearing on the circumference of a solar cell is analyzed using a two-region developed perimeter device model. The width of the defective perimeter region is characterized by the range or the distance-of-influence of the defective edge and this width is about two diffusion lengths. The defective edge is characterized by a surface recombination velocity. Family of theoretical curves and numerical examples are presented to show that significant reduction of open-circuit voltage can occur in high-efficiency cells which are thin compared with the diffusion length. In one example, the degradation is decreased from 135 mV to 75 mV when the cell size is increased from 10 to 100 times the diffusion length in a thin cell whose thickness is 1% of the diffusion length.

Sah, C. T.↗

Multiscale Modeling of CO 2 Migration and Trapping in Fractured Reservoirs with Validation by Model Comparison and Real-Site Applications (Final Technical Report)

This report documents the accomplishments achieved during the project titled “Multiscale Modeling of CO 2 Migration and Trapping in Fractured Reservoirs with Validation by Model Comparison and Real-Site Applications” funded by the US Department of Energy, Office of Fossil Energy. The objectives of the project were to develop modeling capabilities for predicting CO 2 and brine migration in fractured reservoirs during geologic carbon storage and to investigate the feasibility of carbon storage in fractured reservoirs using the newly developed modeling capabilities. To achieve these objectives new mass transfer functions were developed to adapt existing dual-continuum approaches – a commonly used approach in hydrocarbon reservoir modeling – to the CO 2 -brine system. In the dual-continuum approach the undisturbed rock matrix and the fractures are modeled as two separate continua, which are coupled through mass exchange of CO 2 and brine between the two continua. Mass transfer functions represent the mass exchange between fractures and the rock matrix, without requiring highly resolved numerical grids of individual fractures, thus allowing large modeling domains relevant to geologic carbon storage questions (tens of meters to hundreds of kilometers). Mass transfer functions for the exchange of both free-phase CO 2 and brine between fractures and rock matrix were developed for both the injection phase and the post-injection phase. During the injection phase the fractures are filled with CO 2 , while the rock matrix is initially filled with brine. Therefore, a mass transfer function was developed that is based on vertical displacement of brine by CO 2 in the rock matrix due to gravitational forces. Once CO 2 injection ceases and CO 2 migrates away from the direct vicinity of the injection site, the fractures will begin to re-fill with brine, while the rock matrix will have high CO 2 saturations. For these conditions a mass transfer functions was developed that is based on spontaneous imbibition, as the pore spaces in the rock matrix are much smaller than in the fractures. For formations with low permeability or high capillary entry pressure of the rock matrix, free-phase CO 2 may not be able to enter the rock matrix. However, free-phase CO 2 at the interface between fractures and rock matrix can dissolve into brine resident in the rock matrix. Therefore, additional mass transfer functions were developed based on aqueous-phase diffusion of CO 2 through the rock matrix. These mass transfer functions are based on existing solutions for diffusion and were expanded to be applicable to a variety of block shapes relevant to dual-continuum modeling. Implementations of the newly developed mass transfer functions showed that they give accurate results when compared to highly resolved models. In addition to developing new transfer functions, a new vertically-integrated dual-continuum modeling framework was developed. This development takes advantage of fast vertical segregation of CO 2 and brine in the fractures due to the density difference between CO 2 and brine and the high permeability of the fractures. Therefore, a vertically-integrated vertical equilibrium model for the fractures is coupled with a vertically-distributed model for the rock matrix. The newly developed approach significantly reduces the computational effort, but is only accurate for fracture permeabilities of 100 mD or higher. Finally, the newly developed models were applied to real and hypothetical geologic carbon storage sites to investigate the feasibility of using fractured reservoirs for carbon storage. The general results were, that storage of CO 2 – both as free-phase and dissolved – is feasible, but that storage capacities are likely lower than in unfractured systems. While the high permeability of the fractures reduces the injection pressure (or permits higher injection rates), fast migration of CO 2 may limit the overall storage volume, because CO 2 may escape laterally with not enough of the rock matrix being swept for effective storage.

20 FOSSIL-FUELED POWER PLANTS↗