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At least 559 records · Page 31

Gaussian process hydrodynamics

Abstract We present a Gaussian process (GP) approach, called Gaussian process hydrodynamics (GPH) for approximating the solution to the Euler and Navier-Stokes (NS) equations. Similar to smoothed particle hydrodynamics (SPH), GPH is a Lagrangian particle-based approach that involves the tracking of a finite number of particles transported by a flow. However, these particles do not represent mollified particles of matter but carry discrete/partial information about the continuous flow. Closure is achieved by placing a divergence-free GP prior ξ on the velocity field and conditioning it on the vorticity at the particle locations. Known physics (e.g., the Richardson cascade and velocity increment power laws) is incorporated into the GP prior by using physics-informed additive kernels. This is equivalent to expressing ξ as a sum of independent GPs ξ l , which we call modes, acting at different scales (each mode ξ l self-activates to represent the formation of eddies at the corresponding scales). This approach enables a quantitative analysis of the Richardson cascade through the analysis of the activation of these modes, and enables us to analyze coarse-grain turbulence statistically rather than deterministically. Because GPH is formulated by using the vorticity equations, it does not require solving a pressure equation. By enforcing incompressibility and fluid-structure boundary conditions through the selection of a kernel, GPH requires significantly fewer particles than SPH. Because GPH has a natural probabilistic interpretation, the numerical results come with uncertainty estimates, enabling their incorporation into an uncertainty quantification (UQ) pipeline and adding/removing particles (quanta of information) in an adapted manner. The proposed approach is suitable for analysis because it inherits the complexity of state-of-the-art solvers for dense kernel matrices and results in a natural definition of turbulence as information loss. Numerical experiments support the importance of selecting physics-informed kernels and illustrate the major impact of such kernels on the accuracy and stability. Because the proposed approach uses a Bayesian interpretation, it naturally enables data assimilation and predictions and estimations by mixing simulation data and experimental data.

Mathematics↗

Approach and Model Used to Represent a Timeline Analysis for Security Design Enhancements

Next-generation reactors will be able to use risk to inform and performance base the licensing of many aspects of the reactor, facility, and site design, including attributes of physical security. There are several factors related to security, including site topography, reactor design, and physical protection system components, to consider when designing the physical protection system into the overall facility design and plan of operation. With the versatility of advanced reactors, especially micro reactors, methods are needed to simplify and quickly evaluate potential timelines for designing a site configuration. This report describes an approach to generate qualitative and quantitative insights using a risk-informed simulation. The modeling process is described in detail, focusing on three aspects: (1) the facility mission time (the time required to control the plant until safe), (2) the attacker timeline (the time to potential sabotage), and (3) the response timeline (the time to counter the facility attack). The modeling capabilities also are extended to include facility physical phenomena such as thermal-hydraulics and heat transfer to capture realistic representation of dynamic changes to a facility. While the plant models and examples are hypothetical and do not represent a real facility, these modeling approaches could be used for future security-by-design engineering in advanced reactors. The outputs and insights from the modeling approach may be used to modify and optimize the security posture of a facility by efficiently making modifications to the model and seeing the overall impact from the modification. Lastly, use of the approach described in this report can also provide the technical basis for a physical protection program, describing how the facility and security strategy will cope with off-normal events.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

Simple Setup Miniaturization with Multiple Benefits for Green Chemistry in Nanoparticle Synthesis

The development of nanomaterials often relies on wet-chemical synthesis performed in reflux setups using round-bottom flasks. Here, an alternative approach to synthesize nanomaterials is presented that uses glass tubes designed for NMR analysis as reactors. This approach uses less solvent and energy, generates less waste, provides safer conditions, is less prone to contamination, and is compatible with high-throughput screening. The benefits of this approach are illustrated by an in breadth study with the synthesis of gold, iridium, osmium, and copper sulfide nanoparticles.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

ORNL Peer Review Summary and Recommendations for: Advanced Reactor Designs Security Analysis, Risk, and Recommendations: Risks, Consequences, and Possible Design Mitigation Approaches Associated with Select Advanced Reactors Study

The purpose of this document is to provide a summary of the peer review conducted for the "Advanced Reactor Designs Security Analysis, Risk, and Recommendations: Risks, Consequences, and Possible Design Mitigation Approaches Associated with Select Advanced Reactors" study prepared by researchers at Idaho National Laboratory (INL), Argonne National Laboratory (ANL), and Oak Ridge National Laboratory (ORNL). The National Nuclear Security Administration (NNSA) International Nuclear Security (INS) program team requested that ORNL perform a peer review of the study report prior to publication as a final peer check before distributing the report to a broader audience.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

Clustering High-dimensional Toxicogenomics Data with Rare Signals

Toxicogenomics studies the gene and protein activities to drug treatments or toxic exposures. As the drugs and genes are numerous, toxicogenomics data are naturally high dimensional, with dimension sizes up to millions. In addition, the distribution of toxicogenomics data is oftentimes skewed, and they contain rare but important signals representing a cell or organism’s response to toxicity. The combination of high dimension and extremely skewed distribution of toxicogenomics data makes clustering analysis extremely challenging.We present our study of clustering toxicogenomics data using classical approaches such as principal component analysis as well as deep learning approaches such as auto-encoders. Our experiments show that these approaches fail to preserve rare signals and produce high-quality clusters. We then explore augmenting matrix factorization with deep learning techniques such as attention mechanism to produce latent representations for clustering. Our technique is able to better preserve rare signals after dimensionality reduction than prior approaches. Furthermore, we combine our augmented matrix factorization with a mechanism similar to autoencoder to balance separable clusters and low regeneration errors. Our experiments demonstrate better clustering with our proposed approach.

Cong, Guojing↗

A structural equation modeling approach to leveraging the power of extant sentiment analysis tools

Machine-derived sentiment analysis has become a pervasive and useful tool to address a wide array of issues in natural language processing. Leading technology companies such as Google now provide sentiment analysis tools (SATs) as readily accessible online products. Academic researchers develop and make available SATs to support the research enterprise. One of the major challenges with SATs is the inconsistencies in results among the various SATs. Consequently, the selection of a SAT for a specific purpose may significantly impact the application. This study addresses the foregoing problem by utilizing structural equation modeling to merge the outputs of SATs to develop a combined sentiment metric without the need for a labeled training dataset. This method is applicable to a wide range of text-based problems, is data-driven, and replicable. It was tested using three publicly available datasets and compared against seven different SATs. The results indicate that as a continous measure, the proposed method outperformed other SATs in the movie reviews and SemEval datasets, and achieved a tie for first place with IBM Watson on the Sentiment 140 dataset. Also, compared to the published major alternatives, the arithmetic mean solution, this approach performed better across these three datasets.

97 MATHEMATICS AND COMPUTING↗

Multi-Fidelity Learning for Distribution System Voltage Probabilistic Analysis with High Penetration of PVs

This paper proposes a multi-fidelity learning approach for distribution voltage probabilistic analysis with high penetration of PVs. Unlike the existing machine learning-based approaches that require a large number of high fidelity data to achieve satisfactory results, our approach strategically leverage massive low fidelity data from inaccurate model simulations and limited high fidelity historical data. The key idea is to use low-fidelity data to establish an initial model and then the high-fidelity data to calibrate and correct the constructed low-fidelity model. This allows us to fuse low- and high-fidelity data, yielding a high fidelity prediction model. Results obtained from a realistic feeder in US with 80% penetration of PVs show that the proposed approach can achieve a similar accuracy to the one with a large number of high fidelity data. This significantly highlights the advantages of the proposed method as compared to existing data-hungry machine learning methods. Different levels of fidelity data and their impacts are also investigated.

distribution system↗

Rapid depletion analysis of flowing-pebble reactor systems at equilibrium using SCALE

Several high-temperature gas-cooled reactor concepts (and more recently, salt-cooled designs such as the fluoride salt-cooled high-temperature reactor) feature core designs employing continuously circulating fuel pebbles. These reactor designs permit both continuous online refueling of fuel elements as well as higher overall achievable discharge burnups. However, rapid calculation of time-dependent fuel isotopic inventories proves challenging for this class of dynamic systems with current analysis tools. While iterative approaches employing coupled neutron transport have been developed to solve this issue, rapid depletion analysis techniques are needed to calculate time-dependent inventories for individual pebbles and batches (and thus the construction of full- core inventory at equilibrium). We propose a depletion analysis strategy for this type of system for cores at equilibrium. Drawing upon previous neutronic analysis of the PBMR-400 equilibrium core, we demonstrate the viability of developing collapsed one-group cross section libraries suitable for performing rapid depletion analyses with SCALE. (authors)

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

Energy and Exergy Analysis of Low-Global Warming Potential Refrigerants as Replacement for R410A in Two-Speed Heat Pumps for Cold Climates

Heat pumps (HPs) are being developed with a new emphasis on cold climates. To lower the environmental impact of greenhouse gas (GHG) emissions, alternate low global warming potential (GWP) refrigerants must also replace the exclusive use of the refrigerant R410A, preferably without re-engineering the mechanical hardware. In this paper, we analyze the performance of four low-GWP alternative refrigerants (R32, R452B, R454B, and R466A) relative to the conventional R410A and draw conclusions on the relative performances for providing heating in cold climates based on the Air-Conditioning, Heating, and Refrigeration Institute (AHRI) 210/240 standard for two-speed heat pumps. The simulations are carried using the Department of Energy, Oak Ridge National Laboratory (DOE/ORNL) Heat Pump Design Model (HPDM), a well-known heating, ventilation, and air conditioning (HVAC) modeling and design tool in the public domain and the HVAC research and development community. The results of the simulation are further scrutinized using exergy analysis to identify sources of systemic inefficiency, the root cause of lost work. This rigorous approach provides an exhaustive analysis of alternate low-GWP refrigerants to replace R410A using available compressors and system components, without compromising performance.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

Comparative Performance of Low Global Warming Potential (GWP) Refrigerants as Replacement for R-410A in a Regular 2-Speed Heat Pump for Sustainable Cooling

Heat pumps are currently being developed to reduce the energy footprint for residential and commercial building space conditioning and water heating loads in cold climates. To mitigate the nocuous impact of greenhouse gas emissions on the environment, and to create a carbon-neutral building stock, alternate lower-GWP refrigerants must also replace the predominant use of R-410A, without re-engineering the mechanical hardware. In this paper, we analyze the performance of lower-GWP alternative refrigerants (R-32, R-452B, R-454B, and R-466A) relative to the conventional R-410A and draw conclusions on the relative performances to meet cooling loads. The simulations are accomplished using the heat pump design model, a well-known, public-domain design tool with a free web interface and downloadable desktop version to support public use and the HVAC R&D community. The contributions contain detailed, hardware-based heat exchanger and system analyses to provide a comprehensive assessment. The results of the simulation are scrutinized from the first (capacity and energy efficiency) and second laws (exergy analysis) to identify sources of systemic inefficiency, the root cause of lost work. This rigorous approach provides an exhaustive analysis of alternate lower-GWP refrigerants to replace R-410A using the same hardware. The results have practical value in engineering heat pumps in an economy that is compelled to alter by the consequences and uncertainties of climate change, to reduce its anthropogenic carbon footprint.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

Deep Learning for Rapid Analysis of Spectroscopic Ellipsometry Data

High‐throughput experimental approaches to rapidly develop new materials require high‐throughput data analysis methods to match. Spectroscopic ellipsometry is a powerful method of optical properties characterization, but for unknown materials and/or layer structures the data analysis using traditional methods of nonlinear regression is too slow for autonomous, closed‐loop, high‐throughput experimentation. Herein, three methods (termed spectral, piecewise, and pointwise) of spectroscopic ellipsometry data analysis based on deep learning are introduced and studied. After initial training, the incremental time for inferring optical properties can be a thousand times faster than traditional methods. Results for multilayer sample structures with optically isotropic materials are presented, appropriate for high‐throughput studies of thin films of phase‐change materials such as GeSbTe (GST) alloys. Results for studies on highly birefringent layered materials are also presented, exemplified by the transition metal dichalcogenide MoS 2 . How the materials under test and the experimental objectives may guide the choice of analysis methods are discussed. The utility of our approach is demonstrated by analyzing data measured on a composition spread of GeSbTe phase‐change alloys containing 177 distinct compositions, and identifying the composition with optimal phase‐change figure of merit in only 1.4 s of analysis time.

Li, Yifei↗

Direct and rapid uranium isotopic analysis of environmental sample swipes via microextraction – LS-APGD/Orbitrap mass spectrometry

Accurate and precise isotopic analysis of actinides collected on environmental sample swipes from within nuclear facilities is an important safeguarding measure for detecting undeclared materials and activities. Traditional isotope ratio (IR) analysis of actinides using a bulk digestion approach can be laborious and time-consuming. Recently, direct analysis of environmental swipe samples using a microextraction approach has been explored as an alternative to conventional bulk digestion methods. The present study further evaluates this approach for accurate and precise isotopic analysis of uranium (U) in cotton swipe samples using the liquid sampling-atmospheric pressure glow discharge (LS-APGD)/Orbitrap-FTMS Booster detection system. The instrumental parameters were optimized, and quantitative capabilities were demonstrated through excellent linearity (R2 = 0.99) across a deposited mass range of 1 to 500 ng, with a limit of detection of 90 pg (in a 2 × 4 mm region) for total U; well below typical U concentrations (ng–mg range) in environmental sample swipes. The 235U/238U ratio showed excellent accuracy (−0.3% relative difference from the certificate value), with ∼20× improvement over previous microextraction-Orbitrap methods. Precision (∼1% relative standard deviation) was also greatly enhanced by ∼5×. This study also demonstrates that figures of merit achieved with neat U solution were not highly degraded when various external interfering elements/matrices were introduced. Finally, the developed method was successfully applied to analyze practical swipe samples representative of laboratory and outdoor environments. The presented figures of merit and applicability to practical samples further validate the capability of the platform for rapid analysis (<7 minutes) of environmental swipe samples.

Shrestha, Suraj [Clemson University, SC]↗

1D to 2D Transition in Tellurium Observed by 4D Electron Microscopy

A new microwave-enhanced synthesis method for the production of tellurium nanostructures is reported here—with control over products from the 1D regime (sub-5 nm diameter nanowires), to nanoribbons, to the 2D tellurene regime—along with a new methodology for local statistical quantification of the crystallographic parameters of these materials at the nanometer scale. Using a direct electron detector and image-corrected microscope, large and robust 4D scanning transmission electron microscopy datasets for accurate structural analysis are obtained. These datasets allow the adaptation of quantitative techniques originally developed for X-ray diffraction (XRD) refinement analyses to transmission electron microscopy, enabling the first demonstration of sub-picometer accuracy lattice parameter extraction while also obtaining both the size of the coherent crystallite domains and the nanostrain, which is observed to decrease as nanowires transition to tellurene. This new local analysis is commensurate with global powder XRD results, indicating the robustness of both the new synthesis approach and new structural analysis methodology for future scalable production of 2D tellurene and characterization of nanomaterials.

2D materials↗

Mercury transformation processes in nature: Critical knowledge gaps and perspectives for moving forward

We report the transformation of mercury (Hg) in the environment plays a vital role in the cycling of Hg and its risk to the ecosystem and human health. Of particular importance are Hg oxidation/reduction and methylation/demethylation processes driven or mediated by the dynamics of light, microorganisms, and organic carbon, among others. Advances in understanding those Hg transformation processes determine our capacity of projecting and mitigating Hg risk. Here, we provide a critical analysis of major knowledge gaps in our understanding of Hg transformation in nature, with perspectives on approaches moving forward. Our analysis focuses on Hg transformation processes in the environment, as well as emerging methodology in exploring these processes. Future avenues for improving the understanding of Hg transformation processes to protect ecosystem and human health are also explored.

54 ENVIRONMENTAL SCIENCES↗

Weather Sensitive High Spatio-Temporal Resolution Transportation Electric Load Profiles For Multiple Decarbonization Pathways

Electrification of transport compounded with climate change will transform hourly load profiles and their response to weather. We present a novel approach to generating hourly electric load profiles that considers charging strategies and evolving sensitivity to temperature. The approach consists of downscaling annual state-scale sectoral load projections from the multisectoral Global Change Analysis Model (GCAM) into hourly electric load profiles leveraging high resolution climate and population datasets. Profiles are developed and evaluated at the Balancing Authority scale, with a 5-year increment until 2050 over the Western U.S. Interconnect for multiple decarbonization pathways and climate scenarios. The datasets are readily available for production cost model analysis. Our open source approach is transferable to other regions.

Decarbonization, tranportation, Electric vehicle c↗

Developments and Challenges in the Design of the ITER DRGA

We report the ITER Diagnostic Residual Gas Analyzer (DRGA) will measure the distribution of gas species, i.e., deuterium (D), tritium (T), and impurities, in the divertor exhaust stream and in the plasma periphery, with time resolution relevant to fusion plasma–wall particle dynamics. The uniqueness of the DRGA, over previous implementations of plasma dynamics residual gas analysis, is an integrated approach, combining mass and low-temperature plasma-activated optical spectroscopy, in a differentially pumped analysis station. A further unique feature of the ITER divertor-specific DRGA is an ~8-m separation of the analysis station from the sampled pumping duct, while still maintaining a ~1-s response time for hydrogen isotopic concentrations. ITER DRGA final design activities are strongly benefiting from testing of prototypical DRGA components and methods on present fusion devices, most currently on JET and W7-X. DRGA systems are implemented on both these devices and include sensors (and pumping methods) that are directly relevant to the ITER DRGA design. The recent JET-DTE2 campaign has provided the first experience on operating the combined ITER DRGA sensors with D-T plasmas. While enhancing system design for ITER, this experience on operating devices has also revealed additional engineering challenges, which further guide the continuing final design project. Meanwhile, the recent determination that the ITER DRGA, with slight optimization, will resolve the helium isotopes well enough to support an ITER pre-DT, He-3-based heating scheme, has greatly increased ITER Research Program interest in the DRGA and its implementation well ahead of the DT phase.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗