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At least 1,063 records · Page 59

Post-main-sequence Evolution of Icy Minor Planets. III. Water Retention in Dwarf Planets and Exomoons and Implications for White Dwarf Pollution

Studies suggest that the pollution of white dwarf (WD) atmospheres arises from the accretion of minor planets, but the exact properties of polluting material, and in particular the evidence for water in some cases are not yet understood. Several previous works studied the possibility of water surviving inside minor planets around evolving stars. However, they all focused on small, comet-sized to moonlet-sized minor planets, when the inferred mass inside the convection zones of He-dominated WDs could actually be compatible with much more massive minor planets. Here we explore for the first time, the water retention inside exoplanetary dwarf planets, or moderate-sized moons, with radii of the order of hundreds of kilometers. This paper concludes a series of papers that has now covered nearly the entire potential mass range of minor planets, in addition to the full mass range of their host stars. We find that water retention is (a) affected by the mass of the WD progenitor, and (b) it is on average at least 5%, irrespective of the assumed initial water composition, if it came from a single accretion event of an icy dwarf planet or moon. The latter prediction strengthens the possibility of habitability in WD planetary systems, and it may also be used in order to distinguish between pollution originating from multiple small accretion events and singular large accretion events. To conclude our work, we provide a code that calculates ice and water retention by interpolation and may be freely used as a service to the community.

79 ASTRONOMY AND ASTROPHYSICS↗

Parahydrogen Properties Version 05 Database Release for Nuclear Thermal Propulsion Applications

Consistent modeling assumptions across any large project are crucial to minimize errors between different approaches. Use of consistent material and fluid properties across a large project supports consistent interpretation and application within modeling and simulation results as well as their relevancy to operational systems. NASA’s Space Nuclear Propulsion program dedicates extensive resources towards establishing consistent and, to the extent possible, accurate property databases for its internal staff and all external partners. This work highlights the extensive research performed to modernize the fluid property database of hydrogen which is the leading propellant option for in-space nuclear propelled spacecraft. Specifically, the parahydrogen spin state is of interest since the propellant is stored in a near normal boiling point liquid state which results in it consisting almost entirely of the parahydrogen spin isomer. This database tool has taken recent NASA work and modernized it into a python-based package for easy usage across all modeling entities. The package allows users to provide temperature and pressure pairs along with their desired output properties to yield results accounting for both real-gas and equilibrium dissociation effects while also sharing the default thermodynamic reference state provided by the National Institute of Standards and Technology (NIST) Standard Database 23. The suite also includes advanced capabilities to increase usability, such as on-the-fly interpolation and multidimensional plotting.

Nuclear Thermal Propulsion↗

Parahydrogen Properties Version 05 Database Release for NTP Applications

Consistent modeling assumptions across any large project are crucial to minimize errors between different approaches. Use of consistent material and fluid properties across a large project supports consistent interpretation and application within modeling and simulation results as well as their relevancy to operational systems. NASA’s Space Nuclear Propulsion program dedicates extensive resources towards establishing consistent and, to the extent possible, accurate property databases for its internal staff and all external partners. This work highlights the extensive research performed to modernize the fluid property database of hydrogen which is the leading propellant option for in-space nuclear propelled spacecraft. Specifically, the parahydrogen spin state is of interest since the propellant is stored in a near normal boiling point liquid state which results in it consisting almost entirely of the parahydrogen spin isomer. This database tool has taken recent NASA work and modernized it into a python-based package for easy usage across all modeling entities. The package allows users to provide temperature and pressure pairs along with their desired output properties to yield results accounting for both real-gas and equilibrium dissociation effects while also sharing the default thermodynamic reference state provided by the National Institute of Standards and Technology (NIST) Standard Database 23. The suite also includes advanced capabilities to increase usability, such as on-the-fly interpolation and multidimensional plotting.

Nuclear Thermal Propulsion↗

3D Visualisation of Un-georeferenced, Coordinate-poor Spatial Data in Complex D and D and WM Environments - 18294

This paper describes the development of an algorithm-based utility tool using Visual Basic that examines un-georeferenced or GPS-deprived spatial datasets (3D datasets lacking one or more of the key x, y and z components). Taking into account any known geometrical parameters which are input via a user-friendly front-end, the new code automatically evaluates attributes, including any spatial coordinate components, detects invalid survey data points and fills in bad or missing data points utilising data-specific interpolation (e.g. cubic or linear spline) of valid data points, such that local extrema are not created. Previously troublesome 2D data can be easily converted to realistic 3D contour display, integrated with other time-series data to create 4D movies, and incorporated into other existing 3D datasets. More importantly those processed and 'more complete' data can be easily stored in 3D or 4D spatial database management systems for future interrogation by using clear, realistic and intuitive 3D visualisation. Test cases are presented to demonstrate the value and versatility of the newly developed utility tool which include the 3D visualisation of: surveyed wall thicknesses of a helical coil, radiation mapping of a plant and aerial survey mapping of radiation in a region near Fukushima. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Implementation and Comparison of Different Algorithms for on the fly Doppler Broadening in RMC Code

Accurate cross sections are of great importance to Monte Carlo particle transport calculation codes which use pointwise cross sections. It is well known that cross sections have much dependence on temperature on account of Doppler effect which is particularly vital for resonance absorption cross sections. In general, pre-prepared continuous-energy libraries are used in Monte Carlo codes, which is feasible in many applications. However, in multi-physics calculations where neutronics and thermal hydraulics are coupled, cross sections at a fine interval of temperatures are desired, which brings a great challenge to computer memory. Consequently, different methods about on the fly Doppler broadening for cross sections are proposed, which can generate cross sections at the specific temperature points during neutron simulations. These methods can be roughly classified into two categories: one is to calculate the required cross sections by different algorithms, such as interpolation using a high order function expansion, multipole representation, and different integration algorithms based on Doppler broadening equation. The other, for instance, target motion sampling (TMS), does not calculate the Doppler broadening cross sections but takes into account Doppler effect by rejection technique. In this paper, several on the fly Doppler broadening algorithms based on Doppler broadening equation are implemented in the Reactor Monte Carlo code RMC, and then the accuracy and efficiency are discussed and compared. In this paper, several algorithms for on the fly Doppler broadening based on Doppler broadening equation have been implemented in RMC and the focus falls on the comparison of the Gauss Legendre quadrature and Gauss Hermite quadrature. Gauss Legendre quadrature is more accurate than Gauss Hermite quadrature but also more time consuming. Base temperature has a significant impact on Gauss Hermite quadrature while increasing base temperature to room temperature (300 K) can give satisfactory results. In addition, the proportion of overhead of Doppler broadening treatment in total computational time tends to decrease with an increase number of nuclides in fuel. For depletion calculation, both algorithms are in good agreement with reference and the relative errors of K{sub inf} are within 5 times of standard deviation. As for total computational time, the ratio between Gauss Legendre quadrature or Gauss Hermite quadrature and reference decreases and reaches 9.6 or 3.4 at last, respectively. Four important isotopes are chosen to compare the atom density and all relative errors are within 0.25%. After comparisons of different algorithms and different base temperatures, it can be found that Gauss Hermite quadrature broadening from 300 K can perform on the fly cross section Doppler broadening with least total computational time and acceptable precision. (authors)

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Quantifying Transient Uncertainty in the BEAVRS Benchmark Using Time Series Analysis Methods

Advances in computation have brought about significant improvements in creating fast-running high-fidelity simulations of nuclear cores. The BEAVRS benchmark is a highly-detailed PWR specification with two cycles of measured operational data used to validate high-fidelity core analysis methods. This PWR depletion benchmark captures the fine details of the LWR fuel assemblies, burnable absorbers, in-core fission detectors, core loading and shuffling patterns. Specifically, 58 of the 193 assemblies contain in-core detectors with measurements taken over 61 axial positions every month. These detectors are U-235 fission chambers with slightly varying mass of U-235. The collected signals are normalized on a given assembly permitting full core comparisons. The fuel layout for cycle 1 and instrument tube locations for the reactor are given in figures 1 and 2 respectively. Through a series of data processing and comparisons, it was shown that axially integrated radial maps of reaction rates were in close agreement between provided detector data and calculated data. More recently, the focus of the BEAVRS project has been on quantifying uncertainty to further assess the validity of aforementioned results. A close investigation of sources of error shows that uncertainties from operational nuclear data arise primarily from data measurements and processing. While the errors in axial realignment and interpolation seem significant, these sources affect only a small subset of data points near grid spacers and do not persist throughout the entire core. Instead, measurement uncertainty from detector count rates and radial integration dominate the uncertainty in measured data are determined as the most significant sources of error. This uncertainty analysis treated each given burnup step as independent of comparable data at neighboring burnup steps. More recent work has been targeted at understanding how reaction rates vary over time, in order to determine whether calculated reaction rates follow any observable trends. This abstract hones in on transient uncertainty quantification, in order to compare observed data against models for transient behavior. The first section of the paper uses linear regression tools to fit operational data, while the latter portion of the paper explores more complex simulation tools to fit operational data. Ultimately, the BEAVRS benchmark aims to serve as a true non-proprietary international benchmark for the validation of high-fidelity tools. (authors)

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

Monte Carlo/CFD Coupling for Accurate Modeling of the Delayed Neutron Precursors and Compressibility Effects in Molten Salt Reactors

Multiphysics reactor analysis has become one of the leading activities of most nuclear engineering research groups. Coupled neutronics and thermal/hydraulics (T/H) simulations have traditionally been performed by adopting deterministic transport tools and reactor system T/H codes. The main reason for avoiding higher fidelity numerical methods like continuous-energy Monte Carlo analysis has been the high computational cost of coupled, full-scale simulations. Nowadays, high fidelity multiphysics simulations represent a hot research topic, with several applications involving advanced nuclear systems. Liquid fuel Molten Salt Reactors (MSRs) feature peculiar physical phenomena that are not present in solid fuel reactors. Some of these phenomena are not correctly resolved by legacy reactor physics tools, and require specific treatments. This work focuses in particular on the analysis of the effect of the delayed neutron precursors drift and the impact of liquid fluid thermal expansion and compressibility in postulated criticality excursion transients in fast-spectrum MSRs. A new modeling tool based on a Monte Carlo approach for neutronics (Serpent code) coupled to a Computational Fluid Dynamic (CFD) analysis (OpenFOAM) was developed to obtain accurate modeling and simulation of these phenomena. The development of the Serpent Monte Carlo code [1] at VTT in the past few years has made this code particularly attractive for performing multiphysics studies. The availability of a flexible multiphysics interface, on-the-fly Doppler broadening and density-based collision rejection, and Delta-tracking, proved of paramount importance for the computationally efficient performance of coupled Monte Carlo/CFD calculations [2]. OpenFOAM is a C++ multiphysics toolkit featured by automatic matrix construction and solution capabilities for scalar and vector partial differential equations (PDEs), adopting several possible differencing and interpolation schemes, based on the Finite-Volume method. The ease of implementing the constitutive equations of different physical phenomena makes OpenFOAM particularly suitable for the modeling of complex coupled phenomena. In the past, several research activities proposed the adoption of both Serpent and OpenFOAM for the modeling and simulation of MSRs and the associated fuel cycles. In this work, these tools have been internally coupled for the steady-state and transient analysis of fast-spectrum systems, accounting for the effect of delayed neutron precursors transport and the salt thermal expansion and compressibility.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

Development of fine-resolution analyses and expanded large-scale forcing properties. Part I: Methodology and evaluation

We produce fine-resolution, three-dimensional fields of meteorological and other variables for the U.S. Department of Energy’s Atmospheric Radiation Measurement (ARM) Southern Great Plains site. The Community Gridpoint Statistical Interpolation system is implemented in a multiscale data assimilation (MS-DA) framework that is used within the Weather Research and Forecasting model at a cloud-resolving resolution of 2 km. The MS-DA algorithm uses existing reanalysis products and constrains fine-scale atmospheric properties by assimilating high-resolution observations. A set of experiments show that the data assimilation analysis realistically reproduces the intensity, structure, and time evolution of clouds and precipitation associated with a mesoscale convective system. Evaluations also show that the large-scale forcing derived from the fine-resolution analysis has an overall accuracy comparable to the existing ARM operational product. For enhanced applications, the fine-resolution fields are used to characterize the contribution of subgrid variability to the large-scale forcing and to derive hydrometeor forcing, which are presented in companion papers.

54 ENVIRONMENTAL SCIENCES↗

Development of fine-resolution analyses and expanded large-scale forcing properties. Part II: Scale-awareness and application to single-column model experiments

Fine-resolution three-dimensional fields have been produced using the Community Gridpoint Statistical Interpolation (GSI) data assimilation system for the U.S. Department of Energy’s Atmospheric Radiation Measurement Program (ARM) Southern Great Plains region. The GSI system is implemented in a multi-scale data assimilation framework using the Weather Research and Forecasting model at a cloud-resolving resolution of 2 km. From the fine-resolution three-dimensional fields, large-scale forcing is derived explicitly at grid-scale resolution; a subgrid-scale dynamic component is derived separately, representing subgrid-scale horizontal dynamic processes. Analyses show that the subgrid-scale dynamic component is often a major component over the large-scale forcing for grid scales larger than 200 km. The single-column model (SCM) of the Community Atmospheric Model version 5 (CAM5) is used to examine the impact of the grid-scale and subgrid-scale dynamic components on simulated precipitation and cloud fields associated with a mesoscale convective system. It is found that grid-scale size impacts simulated precipitation, resulting in an overestimation for grid scales of about 200 km but an underestimation for smaller grids. The subgrid-scale dynamic component has an appreciable impact on the simulations, suggesting that grid-scale and subgrid-scale dynamic components should be considered in the interpretation of SCM simulations.

54 ENVIRONMENTAL SCIENCES↗

An empirical model of electron and ion fluxes derived from observations at geosynchronous orbit

Knowledge of the plasma fluxes at geosynchronous orbit is important to both scientific and operational investigations. We present a new empirical model of the ion flux and the electron flux at geosynchronous orbit (GEO) in the energy range ~1 eV to ~40 keV. The model is based on a total of 82 satellite-years of observations from the Magnetospheric Plasma Analyzer instruments on Los Alamos National Laboratory satellites at GEO. These data are assigned to a fixed grid of 24 local-times and 40 energies, at all possible values of Kp. Bi-linear interpolation is used between grid points to provide the ion flux and the electron flux values at any energy and local-time, and for given values of geomagnetic activity (proxied by the 3-hour Kp index), and also for given values of solar activity (proxied by the daily F10.7 index). Initial comparison of the electron flux from the model with data from a Compact Environmental Anomaly Sensor II (CEASE-II), also located at geosynchronous orbit, indicate a good match during both quiet and disturbed periods. The model is available for distribution as a FORTRAN code that can be modified to suit user-requirements.

58 GEOSCIENCES↗

Calibration of the E3SM Land Model Using Surrogate‐Based Global Optimization

Abstract Calibration of the Energy Exascale Earth System Model (E3SM), land model (ELMv0) is challenging because of its model complexity, strong model nonlinearity, and significant computational requirements. Therefore, only a limited number of simulations can be allowed in any attempt to find a near‐optimal solution within an affordable time. The goal of this study is to calibrate some of the ELMv0 parameters to improve model projection of carbon fluxes. We propose a computationally efficient global optimization procedure using sparse‐grid based surrogates. We first use advanced sparse grid (SG) interpolation to construct a surrogate system of the ELMv0, and then calibrate the surrogate model in the optimization process. As the surrogate model is a polynomial whose evaluation is fast, it can be efficiently evaluated a sufficiently large number of times in the optimization, which facilitates the global search. We calibrate eight parameters against five years of net ecosystem exchange, total leaf area index, and latent heat flux data from the U.S. Missouri Ozark flux tower. The calibrated model is then used for predicting the three variables in the following 4 years. The results indicate that an accurate surrogate model can be created for the ELMv0 with a relatively small number of SG points, i.e., a few ELMv0 simulations that can be fully parallel. And, the application of the optimized parameters leads to a better model performance and a higher predictive capability than the default parameter values in the ELMv0.

54 ENVIRONMENTAL SCIENCES↗

Impact of Three-Phase Relative Permeability and Hysteresis Models on Forecasts of Storage Associated With CO 2 -EOR

Geological CO 2 sequestration in conjunction with enhanced oil recovery (CO 2 -EOR) includes complex multiphase flow processes compared to CO 2 storage in deep saline aquifers. Two of the most critical factors affecting multiphase flow in CO 2 -EOR are three-phase relative permeability and associated hysteresis, both of which are difficult to measure and are usually represented by numerical interpolation models. The purpose of this research is to improve understanding of (1) the relative impacts of different three-phase relative permeability models and hysteresis models on CO 2 trapping mechanisms, and (2) uncertainty associated with these two factors. Four different three-phase relative permeability models and three hysteresis models were applied to simulations of an active CO 2 -EOR site, the SACROC unit located in western Texas. To eliminate potential bias of deterministic parameters, we utilized a sequential Gaussian simulation technique to generate 50 realizations to describe heterogeneity of porosity and permeability, based on data obtained from well logs and seismic survey. Simulation results of forecasted CO 2 storage suggested that (1) the choice of three-phase relative permeability model and hysteresis model led to noticeable impacts on forecasted CO 2 sequestration capacity; (2) impacts of three-phase relative permeability models and hysteresis models on CO 2 trapping are small during the CO 2 -EOR injection period, and increase during the post-EOR CO 2 injection period; (3) the specific choice of hysteresis model is more important relative to the choice of three-phase relative permeability model; and (4) using the recommended three-phase WAG (Water-Alternating-Gas) hysteresis model may increase the impact of three-phase relative permeability models and uncertainty due to heterogeneity.

42 ENGINEERING↗

Super resolution for root imaging

Premise High‐resolution cameras are very helpful for plant phenotyping as their images enable tasks such as target vs. background discrimination and the measurement and analysis of fine above‐ground plant attributes. However, the acquisition of high‐resolution images of plant roots is more challenging than above‐ground data collection. An effective super‐resolution (SR) algorithm is therefore needed for overcoming the resolution limitations of sensors, reducing storage space requirements, and boosting the performance of subsequent analyses. Methods We propose an SR framework for enhancing images of plant roots using convolutional neural networks. We compare three alternatives for training the SR model: (i) training with non‐plant‐root images, (ii) training with plant‐root images, and (iii) pretraining the model with non‐plant‐root images and fine‐tuning with plant‐root images. The architectures of the SR models were based on two state‐of‐the‐art deep learning approaches: a fast SR convolutional neural network and an SR generative adversarial network. Results In our experiments, we observed that the SR models improved the quality of low‐resolution images of plant roots in an unseen data set in terms of the signal‐to‐noise ratio. We used a collection of publicly available data sets to demonstrate that the SR models outperform the basic bicubic interpolation, even when trained with non‐root data sets. Discussion The incorporation of a deep learning–based SR model in the imaging process enhances the quality of low‐resolution images of plant roots. We demonstrate that SR preprocessing boosts the performance of a machine learning system trained to separate plant roots from their background. Our segmentation experiments also show that high performance on this task can be achieved independently of the signal‐to‐noise ratio. We therefore conclude that the quality of the image enhancement depends on the desired application.

Ruiz‐Munoz, Jose F.↗

Active Learning A Neural Network Model For Gold Clusters & Bulk From Sparse First Principles Training Data

Small metal clusters are of fundamental scientific interest and of tremendous significance in catalysis. These nanoscale clusters display diverse geometries and structural motifs depending on the cluster size; a knowledge of this size-dependent structural motifs and their dynamical evolution has been of longstanding interest. Given the high computational cost of first-principles calculations, molecular modeling and atomistic simulations such as molecular dynamics (MD) has proven to be an important complementary tool to aid this understanding. Classical MD typically employ predefined functional forms which limits their ability to capture such complex size-dependent structural and dynamical transformation. Neural Network (NN) based potentials represent flexible alternatives and in principle, well-trained NN potentials can provide high level of flexibility, transferability and accuracy on-par with the reference model used for training. A major challenge, however, is that NN models are interpolative and requires large quantities (similar to 10 4 or greater) of training data to ensure that the model adequately samples the energy landscape both near and far-from-equilibrium. A highly desirable goal is minimize the number of training data, especially if the underlying reference model is first-principles based and hence expensive. In this work, we introduce an active learning (AL) scheme that trains a NN model on-the-fly with minimal amount of first-principles based training data. Our AL workflow is initiated with a sparse training dataset (similar to 1 to 5 data points) and is updated on-the-fly via a Nested Ensemble Monte Carlo scheme that iteratively queries the energy landscape in regions of failure and updates the training pool to improve the network performance. Using a representative system of gold clusters, we demonstrate that our AL workflow can train a NN with similar to 500 total reference calculations. Using an extensive DFT test set of similar to 1100 configurations, we show that our AL-NN is able to accurately predict both the DFT energies and the forces for clusters of a myriad of different sizes. Our NN predictions are within 30 meV/atom and 40 meV/angstrom of the reference DFT calculations. Moreover, our AL-NN model also adequately captures the various size-dependent structural and dynamical properties of gold clusters in excellent agreement with DFT calculations and available experiments. We finally show that our AL-NN model also captures bulk properties reasonably well, even though they were not included in the training data.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Enhancement factor of nuclear reactions in partially ionized plasmas and asymmetric mixtures

When hydrogen is mixed with heavy (high‐ Z ) elements, even as traces, such as iron in the sun, the plasma mixture transits from a weakly coupled state to the intermediate coupling regime of simultaneous weak and strong couplings due to charge asymmetry. In those circumstances, partial ionization is an important aspect to consider. We present a global approach for evaluating enhancement factors for thermonuclear reactions in such mixtures. We grounded our approach on extensive orbital free molecular dynamics (OFMD) simulations of hydrogen‐silver mixtures, chosen as a prototype of hydrogen—high‐ Z mixtures, in a large range of temperature (100 < T < 1600 eV). By comparing a series of OFMD simulations to hyper‐netted chain calculations of effective binary ionic mixtures (eBIM), we set a general procedure for computing enhancement factors. The electron screening contribution is also included implicitly in the definition of the effective ionizations within the average atom framework. The agreement between the pair distribution functions of OFMD and eBIM validates a prescription in which each average atom representing a given species shares the same external electron density with the others (iso‐ n e rule). We checked that an interpolation formula between weak and strong couplings in BIM, due to Chugunov and DeWitt, is accurate enough to address the limit of extreme dilution of a heavy element.

Arnault, Philippe↗

Explicit modeling of abiotic and landscape factors reveals precipitation and forests associated with aphid abundance

Abstract Increases in natural or noncrop habitat surrounding agricultural fields have been shown to be correlated with declines in insect crop pests. However, these patterns are highly variable across studies suggesting other important factors, such as abiotic drivers, which are rarely included in landscape models, may also contribute to variability in insect population abundance. The objective of this study was to explicitly account for the contribution of temperature and precipitation, in addition to landscape composition, on the abundance of a widespread insect crop pest, the soybean aphid ( Aphis glycines Matsumura), in Wisconsin soybean fields. We hypothesized that higher soybean aphid abundance would be associated with higher heat accumulation (e.g., growing degree days) and increasing noncrop habitat in the surrounding landscape, due to the presence of the overwintering primary hosts of soybean aphid. To evaluate these hypotheses, we used an ecoinformatics approach that relied on a large dataset collected across Wisconsin over a 9‐year period (2003–2011), for an average of 235 sites per year ( n = 2,110 fields total). We determined surrounding landscape composition (1.5‐km radius) using publicly available satellite‐derived land cover imagery and interpolated daily temperature and precipitation information from the National Weather Service COOP weather station network. We constructed linear mixed models for soybean aphid abundance based on abiotic and landscape explanatory variables and applied model averaging for prediction using an information theoretic framework. Over this broad spatial and temporal extent in Wisconsin, we found that variation in growing season precipitation was positively related to soybean aphid abundance, while higher precipitation during the nongrowing season had a negative effect on aphid populations. Additionally, we found that aphid populations were higher in areas with proportionally more forest but were lower in areas where minor crops, such as small grains, were more prevalent. Thus, our findings support our hypothesis that including abiotic drivers increases our understanding of crop pest abundance and distribution. Moreover, by explicitly modeling abiotic factors, we may be able to explore how variable climate in tandem with land cover patterns may affect current and future insect populations, with potentially critical implications for crop yields and agricultural food webs.

Stack Whitney, Kaitlin↗