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At least 1,549 records · Page 86

Generation of random geological models using multi-randomization for machine learning

Generating high-fidelity geological models is essential for advancing machine learning (ML) methods in automated seismic interpretation. For instance, seismic images paired with corresponding fault labels are foundational for ML-based fault detection from seismic migration sections. While several open-access datasets of random geological models exist, open-source tools specifically designed to produce large volumes of such models for ML applications remain scarce. To address this gap, we present RGM (Random Geological Model), an open-source software package for efficiently generating 2D and 3D synthetic geological models tailored for ML workflows. RGM supports the creation of diverse model components, including medium property distributions (P-/S-wave velocities and density), seismic reflectivity images (i.e., synthetic migration sections), relative geological time, and discrete fault attributes such as probability, dip, strike, rake, and displacement. It also accommodates the creation of complex geological features such as salt bodies and unconformities. The model generation algorithm employs a multi-randomization strategy, yielding an effectively infinite-dimensional model space that encompasses a wide range of geological scenarios and associated seismic features. Furthermore, RGM incorporates a method to generate synthetic elastic migration images using analytical elastic reflection coefficients combined with frequency-dependent scaling. This functionality enables the creation of training datasets for ML models that leverage elastic seismic images. RGM is implemented in modern object-oriented Fortran, allowing users to flexibly control statistical parameters governing model variability. We demonstrate the capability, performance, and geological realism of the package through comprehensive 2D and 3D examples.

58 GEOSCIENCES↗

FM4NPP: A Scaling Foundation Model for Nuclear and Particle Physics

Large language models have revolutionized artificial intelligence by enabling large, generalizable models trained through self-supervision. This paradigm has inspired the development of scientific foundation models (FMs). However, applying this capability to experimental particle physics is challenging due to the sparse, spatially distributed nature of detector data, which differs dramatically from natural language. This work addresses if an FM for particle physics can scale and generalize across diverse tasks. We introduce a new dataset with more than 11 million particle collision events and a suite of downstream tasks and labeled data for evaluation. We propose a novel self-supervised training method for detector data and demonstrate its neural scalability with models that feature up to 188 million parameters. With frozen weights and task-specific adapters, this FM consistently outperforms baseline models across all downstream tasks. The performance also exhibits robust data-efficient adaptation. Further analysis reveals that the representations extracted by the FM are task-agnostic but can be specialized via a single linear mapping for different downstream tasks.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Carbon–Nutrient Economy of the Rhizosphere: Improving Biogeochemical Prediction and Scaling Feedbacks from Ecosystem to Regional Scales

Our project has advanced the science of plant-soil-microbial dynamics across these areas: i) nutrient cycling and plant uptake; ii) root exudation and priming; and, iii) mycorrhizal dynamics. Our project has accomplished 5 main developments: 1) Incorporation of phosphorus cycling into the Fixation & Uptake of Nutrients (FUN 3.0) model. 2) Coupling of FUN 3.0 into the E3SM Land Model (ELM). 3) Data collection across a large mycorrhizal gradient in the US, as well data in the tropics, to parameterize, test, and validate the model. 4)Scaling up mycorrhizal association measurements across landscapes using airborne hyperspectral remote sensing data. 5) Evaluation of global carbon and nutrient cycle impacts in the Community Land Model (CLM5.0) from a suite of new global mycorrhizal association maps. Over 25 publications resulted from this project, with more continuing past the project funded lifetime. Paper highlights from most of these publications have already been submitted to the DOE paper submission online system. These publications include journals such as Science and PNAS, as well as top disciplinary journals from the Nature journals, Global Change Biology, New Phytologist, and Ecology Letters, for example. Our project also contributed to improving the process representation, capabilities, and accuracy of the DOE ELM. Overall, this project significantly advanced the science of belowground plant-soil-microbial interactions as well as technical capabilities from remote sensing to modeling.

59 BASIC BIOLOGICAL SCIENCES↗

Intra-hour Solar Irradiance Forecast in Multiple Locations using Deep Transfer Learning

In recent years, solar power system installation imposes several challenges on the operations of local and regional power grids due to the inherent variability of ground-level solar irradiance. This work proposes a novel real-time solar forecast methodology for intra-hour solar irradiance based on deep transfer learning from ground-based sky imager for time horizons ranging from 5-15 min. There are three unique aspects of the proposed methodology: (1) a Deep Learning based algorithm development which is modeled as a classification approach rather than a traditional regression approach; (2) the use of the Transfer Learning technique to show generalization capability, robustness, and portability of baseline model in the newly deployed location where availability of enough data for training is typically scarce, and (3) redefinition of point-based irradiation forecast error estimation technique with a window-based one that is more intuitive and user-friendly. The system is developed using multiple years of irradiance and sky image recording in New Jersey and one-year data from Colorado, USA. The method is validated against ground telemetry from these two locations of diverse geographic and climatic conditions. Results show that the forecasting method proposed in this work is robust and highly accurate (8% MAPE error) for multiple locations deployment.

Deep Learning, Convolution Neural Networks, transf↗

Charon User Manual (V.2.1) (Rev.01)

This manual gives usage information for the Charon semiconductor device simulator. Charon was developed to meet the modeling needs of Sandia National Laboratories and to improve on the capabilities of the commercial TCAD simulators; in particular, the additional capabilities are running very large simulations on parallel computers and modeling displacement damage and other radiation effects in significant detail. The parallel capabilities are based around the MPI interface which allows the code to be ported to a large number of parallel systems, including linux clusters and proprietary "big iron" systems found at the national laboratories and in large industrial settings.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Charon User Manual: v. 2.2 (revision1)

This manual gives usage information for the Charon semiconductor device simulator. Charon was developed to meet the modeling needs of Sandia National Laboratories and to improve on the capabilities of the commercial TCAD simulators; in particular, the additional capabilities are running very large simulations on parallel computers and modeling displacement damage and other radiation effects in significant detail. The parallel capabilities are based around the MPI interface which allows the code to be ported to a large number of parallel systems, including linux clusters and proprietary “big iron” systems found at the national laboratories and in large industrial settings.

42 ENGINEERING↗

Effects of Size on Characteristics of Electroslag Remelted (ESR) HAYNES®282® alloy ingots

The effects of varying ingot diameters on the characteristics of round ESR ingots of 282 alloy are evaluated through a combined experimental and modeling study. Ingots of four different diameters --100 mm, 150 mm, 200 mm and 500 mm, were sectioned and analyzed using metallography to assess spatial variations in dendritic structure (primary / secondary dendrite arm spacings – PDAS/SDAS) across these ingots. Melt parameters of the processes were input into the simulation code, MeltFlow-ESR™ to theoretically predict PDAS/SDAS in the ingots. The values for PDAS/SDAS predicted by the simulations are compared with those measured by experiments and quantitative differences in these values are discussed in the context of the capability and limitations of the model and measurement methods. Both the predicted and measured values show that the PDAS/SDAS values increase with increasing ingot size. In addition, the relation with other ingot characteristics, such as local solidification time as well as the likelihood for freckle formation are discussed. The implication of these results for down-stream ingot processing and for ingot soundness are discussed.

Krishnamurthy, Ramanathan↗

NLR CSP Optical Facilities: Illuminating the Path Forward Through Innovation and Impact: Agreement 38490

This initiative is a multi-faceted project at the National Laboratory of the Rockies (NLR) aimed at strengthening its Concentrating Solar Power (CSP) Optical Facilities to advance the development of low-cost, high-performance materials for solar and other applications. The project's strategy is built on three pillars: strategic stakeholder engagement, diligent facility maintenance and utilization, and the development of new research capabilities. The overarching goal is to ensure the facilities remain state-of-the-art resources for industry and academia, thereby accelerating the conversion of concentrated sunlight into energy. A key driver of the project is an international Advisory Board, which provides critical guidance on research priorities and industry needs, leading to new collaborations and secured funding. This external engagement, combined with proactive outreach to industry partners, ensures the lab's work remains aligned with real-world challenges, including materials durability and performance certification. Significant efforts in facility maintenance have addressed challenges with aging infrastructure. Notable achievements include the complete refurbishment of the hail-damaged Ultra-Accelerated Weathering System (UAWS) and the successful replacement of a failing 15-year-old Lambda 1050 spectrophotometer with a new-generation model, substantially upgrading material characterization capabilities. These maintenance activities were complemented by achieving a prestigious ISO 9001:2015 certification for the Advanced Optical Materials Labs, formally recognizing the quality and reliability of NLR's measurement capabilities. Despite these successes, challenges remain, including high demand for the High Flux Solar Furnace (HFSF) and intermittent failures of other key instruments. The project has delivered major advancements in research techniques and capabilities. At the Flatirons campus, a new indoor laboratory, was established to house advanced deflectometry and photogrammetry systems for heliostat characterization. For on-sun testing, a novel, actively cooled turning mirror was developed for the HFSF, enabling more realistic testing of particle receivers and components. A collaboration with Virginia Tech successfully demonstrated the high-temperature durability of a new solar absorber coating through extensive cyclic testing. Concurrently, new modeling took place to better predict material degradation on rough, fractal surfaces. In summary, this project has systematically enhanced NLR's CSP Optical Facilities through strategic upgrades, rigorous maintenance, and stakeholder-guided research. By overcoming equipment failures, budgetary constraints, and logistical hurdles, the project has reinforced NLR's role as a central hub for CSP innovation and materials testing. Future work will focus on securing diverse funding, expanding collaborations, and continuing to provide the critical infrastructure needed to accelerate the development and deployment of next-generation technologies.

14 SOLAR ENERGY↗

Turbulent entrainment in finite-length wind farms

In this article, we present an entrainment-based model for predicting the flow and power output of finite-length wind farms. The model is an extension of the three-layer approach of Luzzatto-Fegiz & Caulfield ( Phys. Rev. Fluids , vol. 3, 2018, 093802) for wind farms of infinite length, and assumes dependence of key flow quantities, such as the wind farm bulk velocity, on the streamwise distance from the farm entrance. To assist our analysis and validate the proposed model, we undertake a series of large-eddy simulations with different turbine spacing arrangements and layouts. Comparisons are also made with the top-down model with entrance effects of Meneveau ( J. Turbul. , vol. 13, 2012, N7) and data from the literature. The finite-length entrainment model is shown to be capable of capturing the power drop between contiguous rows of turbines as well as describing the advection and turbulent transport of kinetic energy in both the entrance and fully developed regions. The fully developed regime is approximated only deep in the wind farm, after approximately 15 rows of turbines. Our data suggest that for the cases considered in this study, the empirical coefficients that can be used to describe turbulent entrainment and transfers above the wind farm exhibit little dependence on the farm layout and may be considered constant for modelling purposes. However, the flow field within the wind farm layer can be strongly modulated by the turbine density (spacing) as well as the array layout, and to that extent it can be argued that they are both primary factors determining the wind farm power output.

17 WIND ENERGY↗

Macroecological distributions of gene variants highlight the functional organization of soil microbial systems

Abstract The recent application of macroecological tools and concepts has made it possible to identify consistent patterns in the distribution of microbial biodiversity, which greatly improved our understanding of the microbial world at large scales. However, the distribution of microbial functions remains largely uncharted from the macroecological point of view. Here, we used macroecological models to examine how the genes encoding the functional capabilities of microorganisms are distributed within and across soil systems. Models built using functional gene array data from 818 soil microbial communities showed that the occupancy-frequency distributions of genes were bimodal in every studied site, and that their rank-abundance distributions were best described by a lognormal model. In addition, the relationships between gene occupancy and abundance were positive in all sites. This allowed us to identify genes with high abundance and ubiquitous distribution (core) and genes with low abundance and limited spatial distribution (satellites), and to show that they encode different sets of microbial traits. Common genes encode microbial traits related to the main biogeochemical cycles (C, N, P and S) while rare genes encode traits related to adaptation to environmental stresses, such as nutrient limitation, resistance to heavy metals and degradation of xenobiotics. Overall, this study characterized for the first time the distribution of microbial functional genes within soil systems, and highlight the interest of macroecological models for understanding the functional organization of microbial systems across spatial scales.

59 BASIC BIOLOGICAL SCIENCES↗

Constructing angular distributions of neutrinos in core-collapse supernovae from zeroth and first moments calibrated by full Boltzmann neutrino transport

Two-moment neutrino transport methods have been widely used for developing theoretical models of core-collapse supernovae (CCSN), since they substantially reduce the computational burden inherent in the multidimensional neutrino-radiation hydrodynamical simulations. The approximation, however, comes at a price; the detailed structure of angular distribution of neutrinos is sacrificed, that is the main drawback of this approach. In this paper, we develop a novel method by which to construct angular distributions of neutrinos from the zeroth and first angular moments. In our method, the angular distribution is expressed with two quadratic functions of the neutrino angle in a piecewise fashion. We determine the best parameters in the fitting function by comparing to the neutrino data in a spherically symmetric CCSN model with full Boltzmann neutrino transport. We demonstrate the capability of our method by using our recent 2D CCSN model. In this work, we find that the essential features of the angular distributions can be well reconstructed, whereas the angular distributions of incoming neutrinos tend to have large errors that increase with flux factor ($\textit{κ}$). This issue originates from the insensitiveness of incoming neutrinos to $\textit{κ}$, that is an intrinsic limitation in moment methods. Based on the results of the demonstration, we assess the reliability of electron- neutrinos lepton number (ELN)-crossing searches with the two-moment neutrino transport. This analysis is complementary to our [L. Johns and H. Nagakura arXiv:2104.04106] that scrutinizes the limitation of crossing searches with a few moments. We find that the systematic errors of angular distributions for incoming neutrinos lead to misjudgements of the crossing at $\textit{κ}$ ≳ 0.5. This casts doubt on the results of ELN-crossing searches based on two-moment methods in some previous studies.

79 ASTRONOMY AND ASTROPHYSICS↗

Modular Linear Thermoviscoelastic Model

Time-dependent, viscoelastic responses of materials like polymers and glasses have long been studied. As such, a variety of models have been put forth to describe the behavior including simple rheological models (e.g. Maxwell, Kelvin), linear "fading memory" theories, and hereditary integral based linear thermal viscoelastic approaches as well as more recent nonlinear theories that are either integral, fictive temperature, or differential internal state variable based. The current work details a new LINEAR_THERMOVISCOELASTIC model that has been added to LAME. This formulation represents a viscoelastic theory that neglects some of the phenomenological details of the PEC/SPEC models in favor of efficiency and simplicity. Furthermore, this new model is a first step towards developing "modular" viscoelastic capabilities akin to those available with hardening descriptions for plasticity models in LAME. Specifically, multiple different (including user-defined) shift-factor forms are implemented with each being easily selected via parameter specification rather than requiring distinct material models.

36 MATERIALS SCIENCE↗

Conjugation-based genome engineering enables rapid prototyping and bioproduction in non-model bacteria

Abstract Non-model bacteria offer unique metabolic capabilities for sustainable bioproduction, yet their limited genetic accessibility hinders systematic strain development. Here we present conjugation-based serine recombinase-assisted genome engineering (cSAGE), a broad-host-range platform that enables predictable, iterative genomic integration in transformation-resistant bacteria. cSAGE combines conjugative DNA delivery, standardized low-copy vectors, orthogonal recombinases, and modular genetic parts to support rapid pathway assembly and cross-host benchmarking. Using purple nonsulfur bacteria as a testbed, we integrate promoter engineering, multi-payload genome modification, and genome-scale metabolic modeling to empirically evaluate host-dependent pathway performance. Applying this workflow, we identify strain-specific differences in photosynthetic conversion of lignin-derived p -coumarate to the thermoplastic precursor p -vinylphenol. By enabling genome engineering and functional comparison across diverse bacteria using a single plasmid system, cSAGE provides a general framework for non-model strain prototyping and biotransformation discovery.

Guzman, Michael S. [Department of Chemical Enginee↗

Overview of System Integration Analysis Activities for Integrated Waste Management

Spent nuclear fuel (SNF) generated by the current fleet of commercial nuclear reactors is being stored at the reactor sites in spent fuel pools (SFPs) and in dry independent spent fuel storage installations (ISFSIs). The US Department of Energy Office of Nuclear Energy (DOE-NE) is developing an Integrated Waste Management Program (IWMP) comprising a suite of options and supporting analyses to enable future informed choices. The IWMP is organized into the following five major areas: 1) Consent-Based Siting, 2) IWM Facilities and Equipment Concepts and Development, 3) Transportation Capability Analysis and Support, 4) Information Technology Solutions and Support, and 5) System Integration Analysis and Support. This paper discusses the activities ongoing in the IWMP System Integration Analysis and Support area. Two main areas of research in system integration are data and tools development, as well as system analysis assessments. One of the tools being developed in the system integration area is the Used Nuclear Fuel-Storage, Transportation & Disposal Analysis Resource and Data System (UNF-ST&DARDS) tool. It is being developed as a foundational resource for DOE-NE to manage SNF data, along with several compatible analysis tools for time-dependent characterization of SNF and related systems. UNF-ST&DARDS has the unparalleled ability to track SNF through the entire back end of the fuel cycle—from the time the fuel is discharged from a reactor through its disposal in a geological repository. UNF ST&DARDS interfaces with the SCALE code system for nuclear analysis and COBRA-SFS for thermal analysis. Another main tool being developed is the Next Generation System Analysis Model (NGSAM). NGSAM is an agent-based simulation software tool expressly designed to be capable of modeling the waste management system. NGSAM has been developed to enable informed decision-making by providing the capability of analyzing various potential system options for the management of SNF and HLW. Using NGSAM, system architecture analyses are being conducted to support the future deployment of a comprehensive nuclear waste management system that considers all major back-end aspects of the nuclear fuel cycle (i.e., transportation, storage, and disposal). System analysis assessments may investigate the implications of various strategies such as different acceptance rates, acceptance queues, facility capacities and options, standardized canisters, and different assumed system operation start dates. Recently, some system analysis effort has begun to look at how the waste management system might operate for advanced reactor fuel cycles.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

A Flexible and Generic Functional Mock-up Unit Based Threat Injection Framework for Grid-interactive Efficient Buildings: A Case Study in Modelica

Grid-interactive efficient buildings (GEBs) have been considered as an important asset to support the power grid reliability by utilizing the demand flexibility offered by GEBs. GEBs are enabled by advances in sensors and controls, and the communication between building equipment, whole buildings, and the grid. The integration of different building technologies and network-based communication system makes GEBs vulnerable to passive threats such as equipment failure and active threats such as cyber-attacks. Modeling and simulation is an effective way to evaluate the impact of threats on the system performance. This paper proposes a generic and flexible threat injection framework for commonly-used building energy simulators such as EnergyPlus and Modelica to support threat modeling and evaluation. This framework leverages functional mock-up unit (FMU) to develop a general modeling interface for threat injection and simulation. A numerical case study using Modelica as a building energy simulator is conducted to demonstrate the capability of the framework for supporting single/multiple-order threat modeling and simulation of a GEB. Four threats and their combinations are injected on a Modelica-based threat-free building energy and control system, including operating supply fan at its full speed, remotely cycling the chiller on and off, blocking the chiller from receiving the chilled water supply temperature setpoints, and hijacking the global zone air temperature setpoint. Simulation results show that the cyber-attack that leads to short-term signal blocking has small effects on the system operation due to the "self-healing" feature of the heating, ventilation, and air-conditioning (HVAC) interactive control system. The threat that takes control of resetting the global zone air temperature setpoints has the most adverse impact on the system energy use, peak power demand, thermal comfort and the provision of demand flexibility. The combination of four threats have aggregative effects on the system but the effects are less than the additive effects of the individual threat.

Fu, Yanyang↗

Framework for Large-scale Implementation of Wholesale-Retail Transactive Control Mechanism

Transactive energy is a control technique that uses market mechanisms to achieve desired control objectives. Several simulation studies and field demonstrations were carried out in recent years, but all focused on small scale systems and purpose-built simplified models which are not always capable of pointing out all the advantages and shortcomings of transac- tive energy methods. This work describes a co-simulation framework built on a hierarchical control architecture that allows for conducting studies of the impacts of a very large-scale deployment of transactive energy. The hierarchical transactive control architecture adopted in this work helps with alleviating computation and communication burden to facilitate a more effective large scale real-time market operation among device level resources and the system level operators. The co-simulation framework is evaluated an integrated power sys- tem model of unprecedented scale composed of the Western Electricity Coordination Council (WECC) transmission system with tens of thousands of distribution systems deployed with flexible device-level distributed energy resources (DERs) using off-the-shelf simulators.

Transactive energy, market-based controls, DER int↗

Same-sided successive-shock HED instability experiments

Inertial confinement fusion (ICF) and high-energy density (HED) physics experiments experience complicated forcing for instability growth and mix due to the ubiquitous presence of multiple shocks interacting with perturbations on multiple material interfaces. One common driver of instability growth is successive shocks from the same direction. However, there is a severe lack of analytic work and modeling validation for same-sided successive shocks since they are extremely difficult to achieve with conventional (non-HED) drivers. Successive shocks access a large instability parameter space; idealized fluid theory [K. O. Mikaelian, Phys. Rev. A 31, 410 (1985)] predicts 15 different interface evolution scenarios for a sinusoidal perturbation. Growth becomes more complex for multi-mode, compressible HED systems. The Mshock campaign is the first experiment in any fluid regime to probe a wide portion of successive shock parameter space. This is enabled by our development of a hybrid direct/indirect drive platform capable of creating independently controllable successive shocks on the National Ignition Facility. These experiments have delivered the first data capable of rigorously challenging our models and their ability to accurately capture Richtmyer–Meshkov growth under successive shocks. Single-mode and two-mode experiments have successfully demonstrated the ability to access and control the various growth scenarios of the shocked interface, including re-inversion, freeze out, and continued growth. Simulations and theoretical modeling are shown to accurately capture the experimental observations in the linear growth phase, giving us confidence in our ICF/HED design codes.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Predicting Sintering Window of Binder Jet Additively Manufactured Parts Using a Coupled Data Analytics and CALPHAD Approach

Batch-to-batch variation in powder compositions for binder jet additive manufacturing (BJAM) can significantly deter defining an “ideal” sintering window for a given alloy. One way to overcome the problem is by running sintering experiments at various temperatures for each batch of the powder. However, such an approach increases the time required to achieve large-scale production of parts. The predictive capabilities of computational thermodynamic tools like CALPHAD can be leveraged to overcome the challenge, especially for binder jet additive manufacturing, since the process occurs under near-equilibrium conditions. However, calculating the sintering window using CALPHAD can be computationally expensive, considering many possible feedstock compositions within “specification”. Here, we generate high throughput CALPHAD data for nickel-based superalloys to develop machine learning models to predict the sintering window rapidly. The predictive capability of the models has been validated using published results on BJAM of Inconel 718 and 625. Further, validated models are lightweight and can be deployed in an industrial setting to get sintering window in an accelerated manner.

36 MATERIALS SCIENCE↗