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At least 451 records · Page 25

Data and Scripts associated with a manuscript on ecosystem responses to wildfires in the Columbia River Basin

This data package is associated with the publication “Ecosystem leaf area, gross primary production, and evapotranspiration responses to wildfire in the Columbia River Basin” submitted to Biogeosciences (Shi et al., 2024; doi: 10.22541/au.171053013.30286044/v1). In this research, data products, leaf area index (LAI), gross primary production (GPP), and evapotranspiration (ET), from the Moderate Resolution Imaging Spectroradiometer (MODIS) are used to quantify the resistance and resilience of different ecosystem types in the Columbia River Basin (CRB). A machine learning algorithm, random forest (RF), was used to examine the impacts of precipitation, vapor pressure deficit (VPD), and burn severity from Monitoring Trends in Burn Severity (MTBS) on ecosystem resilience. The data package includes the processed MODIS data products, precipitation, VPD, and burn severity in 138 fire regions in CRB and the input files for RF model training. This data package includes six folders. The MODIS products are included in three MODIS_* folders with shell scripts for data clipping and *ncl files for data processing: (1) “/MODIS_LAI_CRB”; (2) “/MODIS_GPP_CRB”; and (3) “/MODIS_ET_CRB”. All the processed data for each fire event are NetCDF formatted. The MTBS burn severity data and the shell and *ncl scripts used for data processing are in the folder named (4) “MTBS_fire”. The ERA meteorological fields and the data processing scritps are in (5) “ERA_Var_CR”. All the scripts for figure development are in the format of *ncl and in the folder (6) “paper_scripts”. See the file ending in “flmd.csv” for a list of all files contained in this data package and descriptions for each. Tabular column headers and units are described in the data dictionary file ending in “dd.csv”.

54 ENVIRONMENTAL SCIENCES↗

Harnessing autocatalytic reactions in polymerization and depolymerization

Abstract Autocatalysis and its relevance to various polymeric systems are discussed by taking inspiration from biology. A number of research directions related to synthesis, characterization, and multi-scale modeling are discussed in order to harness autocatalytic reactions in a useful manner for different applications ranging from chemical upcycling of polymers (depolymerization and reconstruction after depolymerization), self-generating micelles and vesicles, and polymer membranes. Overall, a concerted effort involving in situ experiments, multi-scale modeling, and machine learning algorithms is proposed to understand the mechanisms of physical and chemical autocatalysis. It is argued that a control of the autocatalytic behavior in polymeric systems can revolutionize areas such as kinetic control of the self-assembly of polymeric materials, synthesis of self-healing and self-immolative polymers, as next generation of materials for a sustainable circular economy. Graphic Abstract

36 MATERIALS SCIENCE↗

High-Fidelity Building Emulator

This dataset provides high-fidelity time series data for an emulated commercial office building sited in the Chicago, IL area during a Typical Meteorological Year (TMY). This dataset consists of air-side HVAC measurements and control inputs, and it includes normal operations as well as various implemented faults (with associated ground truth measurements) implemented on selected days. This data could be used to quantify and compare the impacts of different faults, and it could also be used as training or validation data for machine learning algorithms (e.g., reduced-order modelling, fault detection and diagnosis).

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

Learning crystal field parameters using convolutional neural networks

We present a deep machine learning algorithm to extract crystal field (CF) Stevens parameters from thermodynamic data of rare-earth magnetic materials. The algorithm employs a two-dimensional convolutional neural network (CNN) that is trained on magnetization, magnetic susceptibility and specific heat data that is calculated theoretically within the single-ion approximation and further processed using a standard wavelet transformation. We apply the method to crystal fields of cubic, hexagonal and tetragonal symmetry and for both integer and half-integer total angular momentum values J J of the ground state multiplet. We evaluate its performance on both theoretically generated synthetic and previously published experimental data on CeAgSb _2 2 , PrAgSb _2 2 and PrMg _2 2 Cu _9 9 , and find that it can reliably and accurately extract the CF parameters for all site symmetries and values of J J considered. This demonstrates that CNNs provide an unbiased approach to extracting CF parameters that avoids tedious multi-parameter fitting procedures.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

The Dark Machines Anomaly Score Challenge: Benchmark Data and Model Independent Event Classification for the Large Hadron Collider

We describe the outcome of a data challenge conducted as part of the Dark Machines (https://www.darkmachines.org) initiative and the Les Houches 2019 workshop on Physics at TeV colliders. The challenged aims to detect signals of new physics at the Large Hadron Collider (LHC) using unsupervised machine learning algorithms. First, we propose how an anomaly score could be implemented to define model-independent signal regions in LHC searches. We define and describe a large benchmark dataset, consisting of >1 billion simulated LHC events corresponding to 10\, fb^{-1} 10 f b − 1 of proton-proton collisions at a center-of-mass energy of 13 TeV. We then review a wide range of anomaly detection and density estimation algorithms, developed in the context of the data challenge, and we measure their performance in a set of realistic analysis environments. We draw a number of useful conclusions that will aid the development of unsupervised new physics searches during the third run of the LHC, and provide our benchmark dataset for future studies at https://www.phenoMLdata.org. Code to reproduce the analysis is provided at https://github.com/bostdiek/DarkMachines-UnsupervisedChallenge.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Group Structure Machine Learning Proposal

Nuclear data is the linchpin underwriting several fundamental capabilities and mission needs at LANL. New techniques such as machine learning can be brought to bear to solve old problems such as multigroup cross-section accuracy. In neutron transport, generating multigroup cross sections is a complex and arcane task, but a crucial one, as accurate solutions require appropriate cross sections. There are two key challenges when generating multigroup cross sections: (1) choosing an accurate weight function, and (2) choosing appropriate energy boundaries. Often, energy boundaries are chosen using “expert judgment” that is not documented and is difficult to replicate. The long-standing Los Alamos 30-group structure has been in use since at least 1969 and is still in use today. Simplistic attempts over the years since to improve on the 30-group structure have been met with limited success. Machine learning algorithms would enable the selection of appropriate, problem-dependent group boundaries without an inordinate investment of scientist time. We will develop workflows and tools to enable these improved group boundary choices, which will reduce uncertainty and increase predictive capability of neutron-transport applications at LANL.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Cognition at the Point of Sensing

Over the last 15 years, compressive sensing techniques have been developed which have the potential to greatly reduce the amount of data collected by systems while preserving the amount of information obtained. A cost of this efficiency is that a computationally-intensive optimization routine must be used to put the sensed data into a form that a person can interpret. At the same time, machine learning techniques have experienced tremendous growth as well. Machines have demonstrated the ability learn how to effectively perform tasks such as detection and classification at speeds much faster than humanly possible. Our goal in this project was to study the feasibility of using compressive sensing systems "at the edge." That is, how can compressive sensing sensors be deployed such that information is created at the remote sensor rather than sending raw data to a central processing location? Studies were performed to analyze whether machine learning could be done on the compressively sensed data in its raw form. If a machine is performing the task, is it possible to do so without putting the data into a human interpretable form? We show that this is possible for some systems, in particular a compressive sensing snapshot imaging spectrometer. Machine learning tasks were demonstrated to be more effective and more robust to noise when the machine learning algorithm worked on data in its raw form. This system is shown to outperform a traditional spectrometer. Techniques for reducing the complexity of the reconstruction routine were also analyzed. Techniques for such as data regularization, deep neural networks, and matrix completion were studied and shown to have benefits over traditional reconstruction techniques. In this project we showed that compressive sensing sensors are indeed feasible at the edge. As always, sensors and algorithms must be carefully tuned to work in the constrained environment. In this project we developed tools and techniques to enable those analyses.

47 OTHER INSTRUMENTATION↗

Applying Machine Learning to the Classification of DC-DC Converters. NA-22 Final Report

Tools are now available that enable measurement electromagnetic radiation (EMR) from active electronics in an item. This radiation may be intended WIFI or cellular network links, for example or unintended such as the switching noise generated by DC-to-DC converters. It would be extremely valuable to have the capability to discriminate between the low-voltage DC-to-DC converters or other digital noise prevalent in most modern electronics, versus the high-voltage DC-to-DC converters used in utility firesets. Previous work performed under a Sandia Laboratory Directed Research and Development (LDRD) project on Charge State Detection using a deep neural network has been continued in this effort. A state-of-the-art supervised machine learning algorithm has not only been extended to discriminate between low and high voltage converters but has been validated in determining a converters make and model.

42 ENGINEERING↗

Feature Detection

Focal Area(s): This proposal aims to develop and evaluate statistical models and machine learning algorithms for detecting and tracking features in spatiotemporal remotely sensed data with uncertainty quantification. We focus a particular application on the detection of sea ice leads and ridges in the Arctic and use these key sea ice features for model calibration and to gain insight into the physics of sea ice thermodynamics and deformation.

54 ENVIRONMENTAL SCIENCES↗

Constraints on Neutrino Oscillation Parameters from Neutrinos and Antineutrinos with Machine Learning

NOvA is a two detector, long baseline neutrino oscillation experiment measuring the oscillations of muon neutrinos from the \numi neutrino beam over a baseline of \SI{810}{km}. The experiment uses four oscillation channels, $\numu \rightarrow \numu$, $\numubar \rightarrow \numubar$, $\numu \rightarrow \nue$, and $\numubar \rightarrow \nuebar$, with a peak neutrino energy of \SI{1.8}{GeV}. This dissertation describes the analysis of these channels using a dataset of $13.6\times10^{20}$ protons on target neutrino beam mode and $12.5\times10^{20}$ protons on target antineutrino beam mode. The analysis makes use of improvements in the treatment of systematic uncertainties and machine learning techniques to reconstruct neutrino interactions. A technique for decorrelating systematic errors using principle component analysis was utilized to reduce and optimize neutrino cross section and beam related uncertainties. The improved machine learning algorithms make use of convolutional ne ural net works for neutrino event classification, particle classification, and instance segmentation. The selection of neutrino signal events utilizing the neutrino event classifier shows an efficiency of 63\% for the selection of electron neutrinos in neutrino beam mode and 75\% for electron antineutrinos in antineutrino beam mode. Using this algorithm, 82 appearing electron neutrino candidates and 33 appearing electron antineutrino candidates were observed with expected backgrounds of 26.8 and 14.0 respectively. In addition, 211 surviving muon neutrino candidates and 105 muon antineutrino candidates were identified with a purity of more than 96\% using the same neutrino event classifier. Fitting these data to the three flavor neutrino oscillation model, using constraints on \thetaonetwo, \thetaonethree, and \dmsqonetwo from solar and reactor neutrino experiments, the oscillation parameters are measured to be $\sintwothree = 0.57^{+0.04}_{-0.03}$, $\dmsqthreetwo = \SI[parse-numbers= false]{+ 2.41\pm0.07 \times 10^{-3}}{eV^2}$, and $\dcp=0.82^{+0.27}_{-0.87}\pi$ with a preference for the normal neutrino mass hierarchy. Leading systematic uncertainties for these measurements come from detector calibration and neutrino interaction models.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Boundary Layer Climatology at ARM Southern Great Plains

Operational since 1992, the Atmospheric Radiation Measurement (ARM) southern great plains (SGP) site at Oklahoma, USA has become a reference research site for meteorological studies. Due to an open data policy the ARM data are used by researchers all over the world. In this report, we review the long-term climatology of the atmospheric boundary layer, SGP instrumentations, the site and some site-specific atmospheric conditions which potentially effect wind turbines within the region. As the atmospheric boundary layer is bounded and influenced by the surface, observations of surface radiation components and heat fluxes are crucial in understanding land-atmosphere interactions. The entrainment of air, updrafts, downdrafts and boundary layer height characteristics is needed for understanding the structure and growth of the atmospheric boundary layer. Therefore, measurements from both surface in-situ and remote sensing observations at SGP provide an overall climatology and their interactions from surface up to the boundary layer. Measurements from a 60 m meteorological tower, surface flux stations, disdrometers, soil temperature and moisture flux plates, coherent Doppler lidar, Raman lidar, radiosondes, and satellite data at SGP central facility were analyzed. All the measurements were generally within a few square kilometers of each other at the central facility. This report focuses on data from January 2010 to June 2020 at SGP central facility. The various sections describe the ARM SGP site and surrounding wind turbines; in-situ and remote sensing instrumentation used in the report; provides mathematical equations to analyze fluxes, turbulence and other boundary layer parameters; a climatological analysis of surface winds, fluxes and thermodynamic parameters for several years; an analysis of observed winds in the framework of Monin-Obukhov Similarity Theory; an analysis of the boundary layer winds and direction from a Doppler lidar; multi-year turbulence estimates through the boundary layer from a Doppler lidar; atmospheric boundary layer water vapor and relative humidity profiles from Raman lidar; cloud base height and boundary layer height from multiple sensors and satellite data; and finally site specific atmospheric conditions, such as nocturnal low-level jets. Diurnal, seasonal and yearly variations of surface, sub-surface and boundary layer quantities, such as wind speed, direction, temperature, atmospheric stability, soil temperature, and various atmospheric fluxes at SGP showed distinct trends useful for focused modeling studies. The applicability of surface similarity theory on ARM SGP data is also evaluated, which showed northerly flows are aligned with MO theory estimates compared to southerly flows. Boundary layer winds and direction profiles for several years from a Doppler lidar shows a consistent presence of a nocturnal low-level jet and predominant southerly wind directions through the boundary layer at SGP. The inter-annual variability at SGP is low (<3.5%), with a mean annual wind speed of approximately 7 m s -1 at 100 m above ground level. Boundary layer turbulence and moisture transport from Doppler and Raman lidars are evaluated, which provides evidence of increased water vapor mass flux into the great plains during nocturnal low-level jets. The moisture flux from nocturnal low-level jets is observed to be maximum during summer periods. A novel machine learning algorithm is implemented to accurately estimate the planetary boundary layer height, providing further insights into growth and destruction of the convective boundary layer height during various seasons and land-atmosphere conditions. The high frequency of low-level clouds during winter, spring and fall seasons is validated using the multi-sensor array and satellite estimates of cloud top height. Satellite vegetative fraction data provides insight into seasonal surface roughness and vegetation variability around SGP site.

54 ENVIRONMENTAL SCIENCES↗

A Robotics Enabled Eddy Current Testing System for Autonomous Inspection of Heat Exchanger Tubes

The objective of the project is to develop a robotics enabled eddy current testing system (REECTS) in automatic probe deployment, inspection, and data acquisition and analysis. The main functions of the REECTS are to: 1) identify geometry and locations of heat exchange tubes with assistance of an imaging recognition system; 2) precisely control the position and motion speed of ECT probes by an adaptive control system; 3) facilitate data analysis and real-time decision making for autonomous inspection assisted by machine learning algorithms.

20 FOSSIL-FUELED POWER PLANTS↗

Measuring Saturn's Electron Beam Energy Spectrum using Webb's Wedges

It is very difficult to measure the voltage of the load on the Saturn accelerator. Time-resolved measurements such as vacuum voltmeters and V-dot monitors are impractical at best and completely change the pulsed power behavior at the load at worst. We would like to know the load voltage of the machine so that we could correctly model the radiation transport and tune our x-ray unfold methodology and circuit simulations of the accelerator. Step wedges have been used for decades as a tool to measure the end - point energies of high energy particle beams. Typically, the technique is used for multi-megavolt accelerators, but we have adapted it to Saturn's modest <2 MV end-point energy and modified the standard bremsstrahlung x-ray source to extract the electron beam without changing the physics of the load region. We found clear evidence of high energy electrons >2 MV. We also attempted to unfold an electron energy spectrum using a machine learning algorithm and while these results come with large uncertainties, they qualitatively agree with PIC simulation results.

43 PARTICLE ACCELERATORS↗

Operational Technology Behavioral Analytics (OTBA) (Final Technical Report DE-FE0031640)

This final report provides a summary of the methodology, findings, lessons learned, and insights from an investigation into the feasibility of the Operational Technology Behavioral Analytics (OTBA) cybersecurity approach. The concept was evaluated with data from the National Carbon Capture Center (NCCC) – a U.S. Department of Energy (DOE) funded facility that is managed and operated by Southern Company Services, Inc. at Alabama Power Company’s E. C. Gaston generating power plant in Wilsonville, Alabama. Appropriate data sources for the post-combustion carbon capture system were identified. Infrastructure was deployed to monitor, capture and archive data for the system. Critical parameters for each subsystem were identified and analyzed. Machine-learning algorithms were used to establish and characterize normal operations and subsequently identify anomalies. This effort yielded valuable insights and formed the basis of a data-centric strategy for detecting cyber-attacks along with a coordinated response philosophy. A significant takeaway is that the OTBA cybersecurity approach is quite portable; it can be applied to other critical infrastructure beyond fossil power generation.

20 FOSSIL-FUELED POWER PLANTS↗

Environmentally Adaptive, Multiband Software-Defined-Radar for Monitoring of Item of Interest in a Dynamically Cluttered Room

High-resolution multi-frequency radars when networked together, form a robust and seamless monitoring system for high-valued items. The multi-look-direction radar network investigated by LLNL and DSI, operates at 77 GHz and 5.8GHz, and is capable of detection at centimeter resolution movement of objects of interest. This dual frequency radar (unlike optical methods) can operate under various environments with conditions such a smoke, dust, and other natural or manmade obscurations. In addition, the multiband network radar is based on low-cost FCC approved EM specifications and can be scaled with the dimensions of the room and objects under consideration by user-defined inputs. Furthermore, the underlying radar signal processing based on software-defined radar engine is adaptive to its operational environment, where operators can input the size of the facility and object of interest and the distance between the object and radar. Finally, this multi-frequency radar employs a host of change detection and machine learning algorithms to reach performance levels in terms of high probability of detection and low false alarm rates while the monitoring state of the object can be reported remotely.

42 ENGINEERING↗

Application of FARM to an IES scenario within the FORCE ecosystem

The FARM (Feasible Actuator Range Modifier) software module is a component of the RAVEN-based FORCE framework for analysis of Integrated Energy Systems (IES). FARM supports the HERON software module in the evaluation of the optimal dispatch by evaluating feasible set-points for the different IES unit components. Set-points are required to satisfy limits on both production variables (i.e., the variables to be optimized such as the electrical power, the hydrogen production rate, etc.) and process variables tied to the service life of equipment (e.g., steam flowrate, vessel pressure, turbine firing temperature, etc.). This problem is addressed by adopting a two-stage approach. First, the HERON power dispatcher determines set-points that meet the constraints on the former variables (e.g., power levels and power ramp rate limits). These constraints are called explicit constraints. Then, FARM adjusts these set-points to ensure the respect of the limits on the latter variables given the knowledge of the system physics acquired through machine learning algorithms. These constraints are called implicit constraints. From this standpoint, FARM constitutes a bridge between the HERON power dispatcher that adopts a simplified description of the IES unit (low-resolution physics) and the HYBRID high-fidelity models (high-resolution physics). The original version of the FARM software module (FARM-Alpha) was released by Argonne National Laboratory in January 2021. In the latest version of the code released in July 2022 (FARM-Delta), the Reference Governor (RG) algorithm was upgraded to a Multi-Input Multi-Output version from its original Single-Input Single-Output form. The RG algorithm acts to enforce constraints. With this improvement an IES unit is now treated as a single dynamic system from the standpoint of control. The crosstalk among components in an IES unit is now fully considered thereby ensuring a true optimization is obtained for those units that have multiple set-points. In this report, the capabilities of FARM-Delta operating within the FORCE ecosystem are demonstrated for an IES test case. The specific configuration of IES unit for this case was selected by the IES team with consultation from the Advanced Reactor IES Expert Group. A full TEA analysis that invoked HERON, HYBRID, FARM, and RAVEN was performed and serves to demonstrate how the latest modification to FARM algorithms (i.e., state variable selection, state-space matrices derivation, set-point verification) can shape setpoints that might otherwise compromise the health of equipment through accelerated wear and tear. In this specific test case, it was demonstrated that these algorithms ensure a more efficient utilization of steam resources to be shared by two different subsystems, namely Balance of Plant (BOP) and High-Temperature Steam Electrolysis (HTSE). Finally, some code improvements that can further enhance the user-friendliness are suggested.

97 MATHEMATICS AND COMPUTING↗

Characterizing the contribution of bioaerosols diversity from complex aerosol particle samples.

Current global change scenarios expect to significantly increase the contribution of pollen to the total organic aerosol budget. In addition, pollen can burst into smaller fragments that are highly efficient as cloud condensation nuclei. However, current climate models still do not incorporate the effects of these particles due to detection and quantification challenges in complex aerosol mixtures. Chemical biomarkers (i.e. fructose) have commonly been used to trace pollen but this approximation can generate false positive results given the large number of shared compounds between different bioaerosols. A previous pilot EMSL experiment performed on pure pollen samples suggested that using a set of metabolites as a fingerprint of bioaerosols could serve to substantially increase detection accuracy over single biomarker approaches. In this proposal we developed novel bioinformatic strategies to characterize and quantify complex pollen mixtures present in the atmosphere. For that, we used diverse machine learning algorithms to analyze metabolic fingerprints from complex mixtures of different pollen acquired with high-resolution mass spectrometry (Orbitrap Q-Exactive). Our preliminary results demonstrated the potential to accurately discern and identify at specific relative abundances different pollen species in complex mixtures. Our research will lead to a significant advancement in the atmospheric chemistry and provide much needed data to improve the accuracy of climate models.

54 ENVIRONMENTAL SCIENCES↗

Simulations of Hypervelocity Impact Plasmas

The space environment is fraught with complex plasmas spanning a wide range of densities and temperatures. Much of space plasma research has focused on large-scale changes in the ambient plasma and fields from the Sun to the Earth’s atmosphere, driven primarily by the solar wind. Yet one particular type of space plasma, which forms from a hypervelocity impact (HVI), remains poorly understood. Hypervelocity impactors include both meteoroids and space debris. Meteoroids are naturally occurring objects in space that travel between 11 and 72.8 km/s and originate primarily from comets and asteroids. In contrast, space debris are human-made objects with speeds typically < 11 km/s. Hypervelocity impactors routinely hit spacecraft, yet the physics behind the formation of the plasma and the dynamics of its expansion remain largely unknown. The complexity of this phenomenon necessitates a research approach that includes both experimental studies and numerical simulation in order to understand the underlying physical processes that occur upon formation and expansion of the impact plasma. Our research has focused on providing a comprehensive understanding of plasma generated by hypervelocity impacts by meteoroids and space debris on spacecraft in order to characterize the behavior of the expanding plasma and its interactions with the ambient environment. Previously. we conducted experimental campaigns at a dust accelerator facility that can accelerate particles up to 60 km/s, which is representative of meteoroid speeds, and at a light gas gun facility that can accelerate larger projectiles up to 7 km/s, which is representative of orbital debris. The experiments included plasma, optical and radio frequency (RF) sensors in order to understand the dynamics and associated RF emission resulting from hypervelocity plasmas. For this research, we developed and applied machine learning algorithms to identify which type of impactor would produce RF and physics-based models to determine the source of the RF. This was a one-year research program that resulted in 2 refereed journal publications (uploaded separately).

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗