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At least 487 records · Page 27

Reducing Ground-based Astrometric Errors with Gaia and Gaussian Processes

Stochastic field distortions caused by atmospheric turbulence are a fundamental limitation to the astrometric accuracy of ground-based imaging. This distortion field is measurable at the locations of stars with accurate positions provided by the Gaia DR2 catalog; we develop the use of Gaussian process regression (GPR) to interpolate the distortion field to arbitrary locations in each exposure. We introduce an extension to standard GPR techniques that exploits the knowledge that the 2D distortion field is curl-free. Applied to several hundred 90 s exposures from the Dark Energy Survey as a test bed, we find that the GPR correction reduces the variance of the turbulent astrometric distortions ≈12× , on average, with better performance in denser regions of the Gaia catalog. The rms per-coordinate distortion in the riz bands is typically ≈7 mas before any correction and ≈2 mas after application of the GPR model. The GPR astrometric corrections are validated by the observation that their use reduces, from 10 to 5 mas rms, the residuals to an orbit fit to riz-band observations over 5 yr of the r = 18.5 trans-Neptunian object Eris. We also propose a GPR method, not yet implemented, for simultaneously estimating the turbulence fields and the 5D stellar solutions in a stack of overlapping exposures, which should yield further turbulence reductions in future deep surveys.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

OptiBench: An Optimization Benchmark Tool for Renewable Energy Problems

We propose a benchmark framework and visualization tool, OptiBench, for analyzing the performance of state-of-the-art optimization solvers across a variety of optimization problems in renewable energy research. Our framework is designed from the ground up in the Julia programming language and enables analysis at scale on high performance computing (HPC) systems. Our visualization tool allows effortless evaluation of optimization solver performance, robustness, and accuracy through intuitive plots, e.g., performance profiles, heat maps, and distribution plots. We have tested three benchmark suites relevant to the modeling of renewable energy systems, viz., CUTEst, PGLib-OPF, and WaterTAP water treatment optimization problems. We illustrate benchmarking of CUTEst using OptiBench on the National Renewable Energy Laboratory's (NREL) HPC Kestrel. Our findings indicate that MA57 HSL linear solver demonstrated the best overall performance for an experimental IPOPT implementation. Our work is ongoing and we intend to add support for more optimization solvers and benchmark test suites in the future.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

Comparing the cooling effectiveness of operationalisable urban surface combination scenarios for summer heat mitigation

Extreme summer heat in cities exacerbates the vulnerability of urban communities to heatwaves. Vegetative and reflective urban surfaces can help reduce urban heat. This study investigated the impacts of urban trees, green roofs and cool roofs on heat mitigation during average and extreme summer conditions in temperate oceanic Melbourne, Australia. We simulated the city climate using ‘The Air Pollution Model’ (TAPM) at a 1 km spatial resolution over 10 years, which according to our review of the literature, was the most prolonged period for simulation in Melbourne. During a widespread heatwave event, some of the tested scenarios with combined surface parameters could reduce the extreme values of the energy budget components- sensible heat, latent heat, and storage heat fluxes up to seasonal averages compared to the existing situation for Melbourne (control). The scenario with the highest (reasonable maximum) ground-level vegetation, green roofs, and cool roofs could reduce air temperatures up to 2.4 °C. The simulations suggest that a combined strategy with vegetative and high-albedo surfaces will deliver higher effectiveness with maximum cooling benefits and cost-effectiveness than individual strategies in cities. These results suggest the importance of collaborative strategic planning of urban surfaces to make cities healthier, sustainable, and liveable.

54 ENVIRONMENTAL SCIENCES↗

Quantum tensor network algorithms for evaluation of spectral functions on quantum computers

We investigate quantum algorithms derived from tensor networks to simulate the static and dynamic properties of quantum many-body systems. Using a sequentially prepared quantum circuit representation of a matrix product state (MPS) that we call a quantum tensor network (QTN), we demonstrate algorithms to prepare ground and excited states on a quantum computer and apply them to molecular nanomagnets (MNMs) as a paradigmatic example. In this setting, we develop two approaches for extracting the spectral correlation functions measured in neutron-scattering experiments: (a) a generalization of the SWAP test for computing wave function overlaps and, (b) a generalization of the notion of matrix product operators to the QTN setting which generates a linear combination of unitaries. The latter method is discussed in detail for translationally invariant spin-half systems, where it is shown to reduce the qubit resource requirements compared with the SWAP method and may be generalized to other systems. We demonstrate the versatility of our approaches by simulating spin-1/2 and spin-3/2 MNMs, with the latter being an experimentally relevant model of a Cr$^{3+}_{8}$ ring. Here, our approach has qubit requirements that are independent of the number of constituents of the many-body system and scale only logarithmically with the bond dimension of the MPS representation, making them appealing for implementation on near-term quantum hardware with mid-circuit measurement and reset.

Neutron scattering↗

GenomeFace v1.0

GenomeFace is meta-genome binning software. Metagenomic binning, the process of grouping DNA sequences into taxonomic units, is critical for understanding the functions, interactions, and evolutionary dynamics of microbial communities. We propose a deep learning approach to binning using two neural networks, one based on composition and another on environmental abundance, dynamically weighting the contribution of each based on characteristics of the input data. Trained on over 43,000 prokaryotic genomes, our network for composition-based binning is inspired by metric learning techniques used for facial recognition. Using a task-specific, multi-GPU accelerated algorithm to cluster the embeddings produced by our network, our binner leverages marker genes observed to be universally present in nearly all taxa to grade and select optimal clusters of sequences from a hierarchy of candidates. We evaluate our approach on four simulated datasets with known ground truth. Our linear time integration of marker genes recovers more near complete genomes than state of the art but computationally infeasible solutions using them, while being over an order of magnitude faster. Finally, we demonstrate the scalability and acuity of our approach by testing it on three of the largest metagenome assemblies ever performed. Compared to other binners, we produced 47%-183% more near complete genomes. From these datasets, we find over the genomes of over 3000 new candidate species which have never been previously cataloged, representing a potential 4% expansion of the known bacterial tree of life.

Lettich, Richard [Lawrence Berkeley National Labor↗

Recovery and Calibration of Legacy Underground Nuclear Test Seismic Data from the Leo Brady Seismic Network

The Leo Brady Seismic Network (LBSN, originally the Sandia Seismic Network) was established in 1960 by Sandia National Laboratories to monitor underground nuclear tests (UGTs) at the Nevada National Security Site (NNSS, formerly named the Nevada Test Site). The LBSN has been in various configurations throughout its existence, but it has generally been comprised of four to six stations at regional distances (~150–400 km) from the NNSS with approximately evenly spaced azimuthal coverage. Between 1962 and the end of nuclear testing in 1992, the LBSN—and a sister network operated by Lawrence Livermore National Laboratories—was the most comprehensive United States source of regional seismic data of UGTs. Approximately 75% of all UGTs performed by the United States occurred in the predigital era. At that time, LBSN data were transmitted as frequency-modulated (FM) audio over telephone lines to a central location and recorded as analog waveforms on high-fidelity magnetic audio tapes. These tapes have been in dry temperature-stable storage for decades and contain the sole record of this irreplaceable data; full waveforms of LBSN-recorded UGTs from this era were not routinely digitized or otherwise published. We have developed a process to recover and calibrate data from these tapes. First, we play back and digitize the tapes as audio. Next, we demodulate the FM “audio” into individual waveforms. We then estimate the various instrument constants through careful measurement of “weight-lift” tests performed prior to each UGT on each instrument. Finally, these coefficients allow us to scale and shape the derived instrument response of the seismographs and compute poles and zeros. Finally, the result of this process is a digital record of the recorded seismic ground motion in a modern data format, stored in a searchable database. To date, we have digitized tapes from 592 UGTs.

58 GEOSCIENCES↗

Properties of Medium Nuclei from First Principles

During this project we have extended the Auxiliary Field Diffusion Monte Carlo (AFDMC) to calculate several properties of light/medium nuclei. In particular, we have included and tested several models of three-body forces and the associated approximations required, and the comparison with other exact calculations for simpler problems demonstrated the accuracy of the AFDMC method. In this project we have also developed new subroutines to solve for the ground-state of open shell nuclei. This case requires very complex wave function with respect to the case of closed-shell nuclei. We have used the AFDMC code to calculate many properties of nuclei up to the Oxygen, including energies, radii, spatial and momentum distributions and others.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

OptiBench: An Optimization Benchmark Tool for Renewable Energy Problems

We propose a benchmark framework and visualization tool, OptiBench, for analyzing the performance of state-of-the-art optimization solvers across a variety of optimization problems in renewable energy research. Our framework is designed from the ground up in the Julia programming language and enables analysis at scale on high performance computing (HPC) systems. Our visualization tool allows effortless evaluation of optimization solver performance, robustness, and accuracy through intuitive plots, e.g., performance profiles, heat maps, and distribution plots. We have tested three benchmark suites relevant to the modeling of renewable energy systems, viz., CUTEst, PGLib-OPF, and WaterTAP water treatment optimization problems. We illustrate benchmarking of CUTEst using OptiBench on the National Laboratory of the Rockies's (NLR) HPC Kestrel. Our findings indicate that MA57 HSL linear solver demonstrated the best overall performance for an experimental IPOPT implementation. Our work is ongoing and we intend to add support for more optimization solvers and benchmark test suites in the future.

97 MATHEMATICS AND COMPUTING↗

2023 Results for Avian Monitoring at the Technical Area 36 Minie Site, Technical Area 39 Point 6, Technical Area 16 Burn Ground, and DARHT at Los Alamos National Laboratory

Los Alamos National Laboratory (LANL) biological subject matter experts in the Environmental Protection and Compliance Division initiated a multi-year program in 2013 to monitor avifauna (birds) at two open detonation sites and one open burn site on LANL property. Additional monitoring began in 2017 at a third firing site, the Dual-Axis Radiographic Hydrodynamic Test Facility (DARHT). In this annual report, we compare monitoring results from these efforts among years to identify and evaluate firing and open burn site impacts on the local bird community.

54 ENVIRONMENTAL SCIENCES↗

Polyester-based epoxy vitrimer integrating spent coffee ground as a natural filler

Coffee is a widely consumed beverage, but approximately 80% mass of coffee cherry is discarded as waste. Here, in this study, spent coffee grounds (SCG) were recycled and used as a natural filler in a polyester-based epoxy matrix made from reactions of diglycidyl ethers of Bisphenol A and polyethylene glycol with methyl nadic anhydride. The properties of SCG/epoxy composites with various SCG contents up to 40% w/w were evaluated using various techniques such as FT-IR spectroscopy, tensile testing, optical microscopy, differential scanning calorimetry, and rheology. The SCG filled polyester-based epoxy matrix demonstrated excellent dimensional stability and retained a permanently crosslinked network, but re-shaping was possible at ~150 °C through transesterification, which occurred due to a dynamic chain exchange reaction between the ester group of the epoxy matrix and the hydroxyl group of the SCG fillers. The transesterification also improved the interfacial adhesion between the matrix and SCG fillers, resulting in tensile strength of over 20 MPa and a modulus of around 2.5 GPa, even with high SCG contents up to 40% w/w. While neat, cured epoxy shows thermoset behavior, filling the matrix with SCG enables reforming and origami-inspired spontaneous change in shape.

42 ENGINEERING↗

An algorithmic approach to predicting mechanical draft cooling tower fan speeds from infrasound signals

Mechanical draft cooling towers (MDCTs) serve a critical heat management role in a variety of industries. For nuclear reactors in particular, the consistent, predictable operation of MDCTs is required to avoid damage to infrastructure and reduce the potential for catastrophic failure. Accurate, reliable measurement of MDCT fan speed is therefore an important maintenance and safety requirement. To that end, we have developed an algorithm for automatically predicting the rotational speeds of multiple, simultaneously operating fan rotors using contactless, infrasound measurements. The algorithm is based on identifying the blade passing frequencies (BPFs), their harmonics, as well as the motor frequencies (MFs) for each fan in operation. Using the algorithm, these frequencies can be automatically identified in the acoustic waveform’s short-time Fourier transform spectrogram. Attribution is aided by a set of filters that rely on the unique spectral and temporal characteristics of fan operation, as well as the intrinsic frequency ratios of the BPF harmonics and the BPF/MF signals. The algorithm was tested against infrasound data acquired from infrasound sensors deployed at two research reactors: the Advanced Test Reactor (ATR) located at Idaho National Laboratory (INL) and the High Flux Isotope Reactor (HFIR) located at Oak Ridge National Laboratory (ORNL). After manually identifying the MDCT gearbox ratio, the algorithm was able to quickly yield fan speeds at both reactors in good agreement with ground truth. Ultimately, this work demonstrates the ease by which MDCT fans may be monitored in order to optimize operational conditions and avoid infrastructure damage.

42 ENGINEERING↗

Nuclear Power Fault Diagnostics and Preventative Maintenance Optimization

The nuclear industry is beginning to see reactors shut down—even after their operating licenses have been extended—because they are not economically competitive with other energy sources. These early closures happen primarily due to economic reasons, despite excellent safety records. Therefore, it is imperative to reduce costs in order to prevent these early closures. One of the contributors to these economic reasons is the large operations and maintenance costs. This paper showcases recent research on advanced fault diagnostics techniques and preventative maintenance optimization (PMO) for reducing NPP maintenance costs. Specifically, it focuses on the feedwater and condensate system (FWCS) for both pressurized- and boiling-water reactor (BWR) systems. The computerized maintenance management system (CMMS), which contains the plant’s digital record of all corrective maintenance (CM) and preventative maintenance (PM) work orders, provided the ground truth for locating potential faults and labeling the process data as either healthy or faulted. Various feature extraction techniques were used to further differentiate the faulted data from the healthy data. Through a cross-validation procedure, support vectors machines were used to label other test sets of process data as either healthy or faulted. With relatively few faults identified in the BWR system, the potential for PMO opens up, since an unnecessary amount of PM leads to inflated maintenance costs. The steps for PMO are summarized, from component health determinations to recommendations for action. An example of PMO assessment is presented for condensate pumps, condensate booster pumps, and the respective motors that drive them.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

Nuclear Power Fault Diagnostics and Preventative Maintenance Optimization NPIC presentation

The nuclear industry is beginning to see reactors shut down—even after their operating licenses have been extended—because they are not economically competitive with other energy sources. These early closures happen primarily due to economic reasons, despite excellent safety records. Therefore, it is imperative to reduce costs in order to prevent these early closures. One of the contributors to these economic reasons is the large operations and maintenance costs. This paper showcases recent research on advanced fault diagnostics techniques and preventative maintenance optimization (PMO) for reducing NPP maintenance costs. Specifically, it focuses on the feedwater and condensate system (FWCS) for both pressurized- and boiling-water reactor (BWR) systems. The computerized maintenance management system (CMMS), which contains the plant’s digital record of all corrective maintenance (CM) and preventative maintenance (PM) work orders, provided the ground truth for locating potential faults and labeling the process data as either healthy or faulted. Various feature extraction techniques were used to further differentiate the faulted data from the healthy data. Through a cross-validation procedure, support vectors machines were used to label other test sets of process data as either healthy or faulted. With relatively few faults identified in the BWR system, the potential for PMO opens up, since an unnecessary amount of PM leads to inflated maintenance costs. The steps for PMO are summarized, from component health determinations to recommendations for action. An example of PMO assessment is presented for condensate pumps, condensate booster pumps, and the respective motors that drive them.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

Pozzolanic reactivity of natural pozzolans, ground glasses and coal bottom ashes and implication of their incorporation on the chloride permeability of concrete

It is well understood that the partial replacement of portland cement with pozzolans in sufficient proportions results in improved long-term performance of concrete. However, dwindling availability of the most widely used pozzolan in the construction industry, fly ash, is forecast due to the termination of coal-fired electricity power stations around the world, necessitating the exploration of alternative pozzolans. Experimental investigations are conducted to study the performance of traditional pozzolans such as fly ash, silica fume and natural pozzolans (metakaolin, pumice, perlite and lassenite) together with novel pozzolans, including ground glasses (high-alkali and low-alkali), and ground bottom ash. Twenty-one concrete mixtures are examined for compressive strength, electrical conductivity, electrical resistivity, chloride permeability, and chloride migration coefficient. The reactivity of pozzolans studied is also determined in terms of compressive strength in lime-pozzolan mortar using a modified lime-reactivity test method. Many of the materials tested demonstrate the potential to be used in place of fly ash. However, a wide variation in the performance of these materials is evident which highlights the need for a reliable test to determine the level of reactivity of a pozzolan. The results indicate that the 7-day strength in the modified lime-reactivity test provides a good indication of the pozzolanic reactivity of the material and of how the material can be expected to contribute to the strength and permeability of concrete. The use of electrical resistivity as an indicator of the performance of pozzolans in terms of strength development and chloride penetration resistance when used to partially replace portland cement in concrete is also discussed.

36 MATERIALS SCIENCE↗

Physics-informed machine learning of the Lagrangian dynamics of velocity gradient tensor

Reduced models describing the Lagrangian dynamics of the velocity gradient tensor (VGT) in homogeneous isotropic turbulence (HIT) are developed under the physics-informed machine learning (PIML) framework. We consider the VGT at both Kolmogorov scale and coarse-grained scale within the inertial range of HIT. Building reduced models requires resolving the pressure Hessian and subfilter contributions, which is accomplished by constructing them using the integrity bases and invariants of the VGT. The developed models can be expressed using the extended tensor basis neural network (TBNN) introduced by Ling et al. [J. Fluid Mech. 807, 155 (2016)]. Physical constraints, such as Galilean invariance, rotational invariance, and incompressibility condition, are thus embedded in the models explicitly. Our PIML models are trained on the Lagrangian data from a high-Reynolds number direct numerical simulation (DNS). To validate the results, we perform a comprehensive out-of-sample test. We observe that the PIML model provides an improved representation for the magnitude and orientation of the small-scale pressure Hessian contributions. Statistics of the flow, as indicated by the joint PDF of second and third invariants of the VGT, show good agreement with the “ground-truth” DNS data. A number of other important features describing the structure of HIT are reproduced by the model successfully. We have also identified challenges in modeling inertial range dynamics, which indicates that a richer modeling strategy is required. This helps us identify important directions for future research, in particular towards including inertial range geometry into the TBNN.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Challenges in simulating ground interacting nuclear explosions

This paper summarizes recent above-ground nuclear explosion simulations as part of a broader effort to better characterize conditions within a fireball that may influence the chemical evolution of bomb materials and other materials entrained from the local explosion environment. A critical component of this work is validation against historic footage of atmospheric testing, requiring that we understand how the frequency-dependent sensitivity of the utilized film footage influences data captured in such images. We focus first on the early physics of a nuclear explosion in the atmosphere before discussing some of the technical challenges we seek to capture in late-time models that include more complex emplacement conditions and subsurface features. We discuss required physics packages (compressible hydrodynamics, radiation transport, as well as necessary ancillary tables such as equations of state (EOS) and opacities). Additionally, we note reasonable “shortcuts” one may make and their limitations, e.g., using ideal gas EOS, replacing spectrally resolved radiation with spectrally averaged radiation, and exchanging deterministic transport with diffusion. We then discuss an approach to achieving an equilibrated initial stress state for problems where buoyancy and subsurface lithostatic stress are important. Our methodology is presented in the context of LLNL’s ALE3D multiphysics code but may readily be implemented in other codes. In this paper, we start with a description of the challenges of NUDET simulations, followed by a presentation of the simulated intensity (flux) as it would appear on an analysis of the Dixie test. We then progressively introduce additional complexity in subsequent sections (near-surface burst and gravity initialization) before concluding.

45 MILITARY TECHNOLOGY, WEAPONRY, AND NATIONAL DEF↗

Numerical modeling and parametric study of a dual purpose underground thermal battery

We report integrating thermal energy storage with building energy systems can enable flexible building electric demands at buildings to help mitigate the mismatch between electricity supply and demand. A novel building heating and cooling system that integrates a dual-source heat pump with hybrid thermal storage named dual-purpose underground thermal battery (DPUTB) has been developed for reshaping building electric demands. The proposed DPUTB integrated geothermal heat pump system is an original innovation that enables Grid-interactive Energy Efficient buildings. This paper focuses on the study of the novel DPUTB. The DPUTB works as both a thermal storage tank (an inner tank) and a ground heat exchanger (an outer tank separated from the inner tank by the insulation material). High fidelity and computationally effective models are needed to predict the performance of the novel DPUTB. This study has developed a simplified dynamic model for the DPUTB according to heat transfer and energy conservation principles and validated it by using experimental data obtained from testing a small-scale DPUTB apparatus. A parametric study was conducted to identify a design that can achieve the target thermal storage performance of load shift and energy efficiency. The parametric study results show that the inner tank shell thermal conductivity and the phase change material's melting point are the two most influencing factors on the performance of the DPUTB. One single full-size DPUTB with the identified design could provide 1-ton cooling (3.51 kW) with the supply temperature lower than 11 °C for 4 hours in summer after being fully charged in 8 hours. The inner tank filled with phase change material is for cooling thermal storage as a latent tank in the design. However, its capacity can be as high as 60 MJ as a sensible water tank for heating storage in winter. In the future study, the DPUTB model will be incorporated into the dual-source heat pump system for evaluating the overall system performance of demand side management in the long term.

25 ENERGY STORAGE↗

Pangenomes suggest ecological-evolutionary responses to experimental soil warming

ABSTRACT Below-ground carbon transformations that contribute to healthy soils represent a natural climate change mitigation, but newly acquired traits adaptive to climate stress may alter microbial feedback mechanisms. To better define microbial evolutionary responses to long-term climate warming, we study microorganisms from an ongoing in situ soil warming experiment where, for over three decades, temperate forest soils are continuously heated at 5°C above ambient. We hypothesize that across generations of chronic warming, genomic signatures within diverse bacterial lineages reflect adaptations related to growth and carbon utilization. From our bacterial culture collection isolated from experimental heated and control plots, we sequenced genomes representing dominant taxa sensitive to warming, including lineages of Actinobacteria, Alphaproteobacteria, and Betaproteobacteria. We investigated genomic attributes and functional gene content to identify signatures of adaptation. Comparative pangenomics revealed accessory gene clusters related to central metabolism, competition, and carbon substrate degradation, with few functional annotations explicitly associated with long-term warming. Trends in functional gene patterns suggest genomes from heated plots were relatively enriched in central carbohydrate and nitrogen metabolism pathways, while genomes from control plots were relatively enriched in amino acid and fatty acid metabolism pathways. We observed that genomes from heated plots had less codon bias, suggesting potential adaptive traits related to growth or growth efficiency. Codon usage bias varied for organisms with similar 16S rrn operon copy number, suggesting that these organisms experience different selective pressures on growth efficiency. Our work suggests the emergence of lineage-specific trends as well as common ecological-evolutionary microbial responses to climate change. IMPORTANCE Anthropogenic climate change threatens soil ecosystem health in part by altering below-ground carbon cycling carried out by microbes. Microbial evolutionary responses are often overshadowed by community-level ecological responses, but adaptive responses represent potential changes in traits and functional potential that may alter ecosystem function. We predict that microbes are adapting to climate change stressors like soil warming. To test this, we analyzed the genomes of bacteria from a soil warming experiment where soil plots have been experimentally heated 5°C above ambient for over 30 years. While genomic attributes were unchanged by long-term warming, we observed trends in functional gene content related to carbon and nitrogen usage and genomic indicators of growth efficiency. These responses may represent new parameters in how soil ecosystems feedback to the climate system.

Choudoir, Mallory J. (ORCID:0000000291175150)↗