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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 685 records · Page 38
All sourcesNASA NTRSDOE OSTI
DOE OSTI2026

Physics-aware adaptive checkpointing with shadow systems for nonlinear PDE simulations

Large-scale simulations of nonlinear partial differential equations (PDEs) that exhibit strongly transient behavior and pattern-forming dynamics produce enormous amounts of data, which, even with modern storage systems, cannot be stored for later curation. Current I/O strategies either write dense time series of snapshots, which is often prohibitive in I/O and storage, or store a few checkpoints that enable restart but incur expensive recomputation cost and provide no control over post-restart error growth, especially when lossy compression is used. Moreover, most, if not all, existing strategies take no account of the actual physical state of the system. Here, we present a simple physics-aware I/O framework in which a low-cost shadow system adaptively triggers lossy checkpoints when the shadow system deviates from the fine-scale simulation. The shadow system can be a coarsened replica of the fine-scale simulation that evolves concurrently. This means that checkpoints are taken based on the physical state of the system: fewer checkpoints are triggered when the system is quiescent while more are taken when the system undergoes a rapid change. This type of behavior is observed in many systems such as Brusselator and FitzHugh–Nagumo. We illustrate that our framework maintains stable restarts, keeps fine-scale restart errors bounded by shadow errors, and reconstructs the time history with significantly lower error and storage than interpolating fixed-interval snapshots, with low-cost shadow replay and modest online synchronization overhead.

Gong, Qian [ORNL] (ORCID:0000000235704142)↗
DOE OSTI2022

Using neural network ensembles to separate ocean biogeochemical and physical drivers of phytoplankton biogeography in Earth system models

Abstract. Earth system models (ESMs) are useful tools for predicting and understanding past and future aspects of the climate system. However, the biological and physical parameters used in ESMs can have wide variations in their estimates. Even small changes in these parameters can yield unexpected results without a clear explanation of how a particular outcome was reached. The standard method for estimating ESM sensitivity is to compare spatiotemporal distributions of variables from different runs of a single ESM. However, a potential pitfall of this method is that ESM output could match observational patterns because of compensating errors. For example, if a model predicts overly weak upwelling and low nutrient concentrations, it might compensate for this by allowing phytoplankton to have a high sensitivity to nutrients. Recently, we demonstrated that neural network ensembles (NNEs) are capable of extracting relationships between predictor and target variables within ocean biogeochemical models. Being able to view the relationships between variables, along with spatiotemporal distributions, allows for a more mechanistically based examination of ESM outputs. Here, we investigated whether we could apply NNEs to help us determine why different ESMs produce different spatiotemporal distributions of phytoplankton biomass. We tested this using three cases. The first and second case used different runs of the same ESM, except that the physical circulations differed between them in the first case, while the biological equations differed between them in the second. Our results indicated that the NNEs were capable of extracting the relationships between variables for different runs of a single ESM, allowing us to distinguish between differences due to changes in circulation (which do not change relationships) from changes in biogeochemical formulation (which do change relationships). In the third case, we applied NNEs to two different ESMs. The results of the third case highlighted the capability of NNEs to contrast the apparent relationships of different ESMs and some of the challenges it presents. Although applied specifically to the ocean components of an ESM, our study demonstrates that Earth system modelers can use NNEs to separate the contributions of different components of ESMs. Specifically, this allows modelers to compare the apparent relationships across different ESMs and observational datasets.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2023

Magnetohydrodynamics with physics informed neural operators

Abstract The modeling of multi-scale and multi-physics complex systems typically involves the use of scientific software that can optimally leverage extreme scale computing. Despite major developments in recent years, these simulations continue to be computationally intensive and time consuming. Here we explore the use of AI to accelerate the modeling of complex systems at a fraction of the computational cost of classical methods, and present the first application of physics informed neural operators (NOs) (PINOs) to model 2D incompressible magnetohydrodynamics (MHD) simulations. Our AI models incorporate tensor Fourier NOs as their backbone, which we implemented with the TensorLY package. Our results indicate that PINOs can accurately capture the physics of MHD simulations that describe laminar flows with Reynolds numbers Re ⩽ 250 . We also explore the applicability of our AI surrogates for turbulent flows, and discuss a variety of methodologies that may be incorporated in future work to create AI models that provide a computationally efficient and high fidelity description of MHD simulations for a broad range of Reynolds numbers. The scientific software developed in this project is released with this manuscript.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2022

Securing Inverter Communication: Proactive Intrusion Detection and Mitigation System to Tap, Analyze, and Act

The electric grid has undergone rapid, revolutionary changes in recent years; from the addition of advanced smart technologies to the growing penetration of distributed energy resources (DERs) to increased interconnectivity and communications. However, these added communications, access interfaces, and third-party software to enable autonomous control schemes and interconnectivity also expand the attack surface of the grid. To address the gap of DER cybersecurity and secure the grid-edge to motivate a holistic, defense-in-depth approach, a proactive intrusion detection and mitigation system (PIDMS) device was developed to secure PV smart inverter communications. The PIDMS was developed as a distributed, flexible bump-in-the-wire (BITW) solution for protecting PV smart inverter communications. Both cyber (network traffic) and physical (power system measurements) are processed using network intrusion monitoring tools and custom machinelearning algorithms for deep packet analysis and cyber-physical event correlation. The PIDMS not only detects abnormal events but also deploys mitigations to limit or eliminate system impact; the PIDMS communicates with peer PIDMSs at different locations using the MQTT protocol for increased situational awareness and alerting. The details of the PIDMS methodology and prototype development are detailed in this report as well as the evaluation results within a cyber-physical emulation environment and subsequent industry feedback.

14 SOLAR ENERGY↗
DOE OSTI2020

Scanning Tunneling Thermometry

The best spatial resolution so far achieved in thermal imaging is several nanometers, much coarser than routinely achieved for other physical properties. Here we propose a method to map electronic temperature variations in operating nanoscale conductors by relying solely upon electrical tunneling current measurements. The proposed measurement scheme involves two scanning probe operations to measure the conductance and thermopower, respectively. These two measurements are shown to determine the local temperature with high accuracy in nanoscale conductors, where the Wiedemann-Franz law holds quite generally. We report the proposed scanning tunneling thermometer, owing to its operation in the tunneling regime, would be capable of mapping temperature variations with subnanometer resolution, thereby enhancing the resolution of scanning thermometry by some 2 orders of magnitude.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2020

Physical Security Model Development of an Electrochemical Facility

Nuclear facilities in the U.S. and around the world face increasing challenges in meeting evolving physical security requirements while keeping costs reasonable. The addition of security features after a facility has been designed and without attention to optimization (the approach of the past) can easily lead to cost overruns. Instead, security should be considered at the beginning of the design process in order to provide robust, yet efficient physical security designs. The purpose of this work is to demonstrate how modeling and simulation can be used to optimize the design of physical protection systems. A suite of tools, including Scribe3D and Blender, were used to model a generic electrochemical reprocessing facility. Physical protection elements such as sensors, portal monitors, barriers, and guard forces were added to the model based on best practices for physical security. Two theft scenarios (an outsider attack and insider diversion) as well as a sabotage scenario were examined in order to optimize the security design. Security metrics are presented. This work fits into a larger Virtual Facility Distributed Test Bed 2020 Milestone in the Material Protection, Accounting, and Control Technologies (MPACT) program through the Department of Energy (DOE). The purpose of the milestone is to demonstrate how a series of experimental and modeling capabilities across the DOE complex provide the capabilities to demonstrate complete Safeguards and Security by Design (SSBD) for nuclear facilities.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗
DOE OSTI2021

Cosmic Inference: Constraining Parameters with Observations and a Highly Limited Number of Simulations

We look at cosmological probes that pose an inverse problem where the measurement result is obtained through observations, and the objective is to infer values of model parameters that characterize the underlying physical system-our universe, from these observations and theoretical forward-modeling. The only way to accurately forward-model physical behavior on small scales is via expensive numerical simulations, which are further “emulated” due to their high cost. Emulators are commonly built with a set of simulations covering the parameter space with Latin hypercube sampling and an interpolation procedure; the aim is to establish an approximately constant prediction error across the hypercube. In this paper, we provide a description of a novel statistical framework for obtaining accurate parameter constraints. The proposed framework uses multi-output Gaussian process emulators that are adaptively constructed using Bayesian optimization methods with the goal of maintaining a low emulation error in the region of the hypercube preferred by the observational data. In this paper, we compare several approaches for constructing multi-output emulators that enable us to take possible inter-output correlations into account while maintaining the efficiency needed for inference. Using a Lyα forest flux power spectrum, we demonstrate that our adaptive approach requires considerably fewer-by a factor of a few in the Lyα P(k) case considered here-simulations compared to the emulation based on Latin hypercube sampling, and that the method is more robust in reconstructing parameters and their Bayesian credible intervals.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2023

Operational Uncrewed Aircraft Systems Development for Meteorology and Atmospheric Physics Field Campaign Report

The overarching goal of the project is to develop integrated small, unmanned aircraft systems (SUAS) capabilities for enhanced atmospheric physics measurements. This team included atmospheric scientists, meteorologists, engineers, computer scientists, geographers, and chemists necessary to evaluate the needs and develop the advanced sensing and imaging, robust autonomous navigation, enhanced data communication, and data management capabilities required to use SUAS in atmospheric physics. The flight campaigns at the Southern Great Plains (SGP) U.S. Department of Energy Atmospheric Radiation Measurement (ARM) observatory were an integrated evaluation of the systems in coordinated field tests. This enabled sensor testing, and validation of SUAS technology and integration of unmanned aircraft into the airspace. The set of experiments enabled evaluation and progression of remote UAS deployment operations with observing atmospheric sensors. Each flight test endeavor was notable for the significant lessons learned during every deployment event. Team size and roles, equipment use, aircraft instruments, meteorological instruments, and deployment logistics, were all evaluated and improved at every flight-testing day. The details of these are further discussed in the Results section.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2021

Computational general relativistic force-free electrodynamics: II. Characterization of numerical diffusivity

Scientific codes are an indispensable link between theory and experiment; in (astro-)plasma physics, such numerical tools are one window into the universe’s most extreme flows of energy. The discretization of Maxwell’s equations – needed to make highly magnetized (astro)physical plasma amenable to its numerical modeling – introduces numerical diffusion. It acts as a source of dissipation independent of the system’s physical constituents. Understanding the numerical diffusion of scientific codes is the key to classifying their reliability. It gives specific limits in which the results of numerical experiments are physical. We aim at quantifying and characterizing the numerical diffusion properties of our recently developed numerical tool for the simulation of general relativistic force-free electrodynamics by calibrating and comparing it with other strategies found in the literature. Our code correctly models smooth waves of highly magnetized plasma. We evaluate the limits of general relativistic force-free electrodynamics in the context of current sheets and tearing mode instabilities. We identify that the current parallel to the magnetic field (j ∥ ), in combination with the breakdown of general relativistic force-free electrodynamics across current sheets, impairs the physical modeling of resistive instabilities. We find that at least eight numerical cells per characteristic size of interest (e.g., the wavelength in plasma waves or the transverse width of a current sheet) are needed to find consistency between resistivity of numerical and of physical origins. High-order discretization of the force-free current allows us to provide almost ideal orders of convergence for (smooth) plasma wave dynamics. The physical modeling of resistive layers requires suitable current prescriptions or a sub-grid modeling for the evolution of j ∥ .

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2022

Nuclear Power Plant Physical Protection Recommendation Document

This document is aimed at providing guidance to the National Nuclear Security Administration’s (NNSA) Office of International Nuclear Security’s (INS) country and regional teams for implementing effective physical protection systems (PPSs) for nuclear power plants (NPPs) to prevent the radiological consequences of sabotage. This recommendation document includes input from the Physical Protection Functional Team (PPFT), the Response Functional Team (RFT), and the Sabotage Functional Team (SFT) under INS. Specifically, this document provides insights into increasing and sustaining physical protection capabilities at INS partner countries’ NPP sites. Nuclear power plants should consider that the intent of this document is to provide a historical context as well as technologies and methodologies that may be applied to improve physical protection capabilities. It also refers to relevant guidance from the International Atomic Energy Agency (IAEA) and the U.S. Nuclear Regulatory Commission (NRC).

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗
DOE OSTI2025

Demonstrating Hierarchical System Development With the Common Community Physics Package Single‐Column Model: A Case Study Over the Southern Great Plains

This study demonstrates a specific application of the hierarchical system development (HSD) approach to investigate, analyze, and attribute model issues within the Unified Forecast System (UFS), with a focus on process isolation. By evaluating a non‐precipitating, shallow cumulus case at the Atmospheric Radiation Measurement Southern Great Plains site in the UFS global forecast against the observation, the investigation identifies a warmer and deeper daytime convective planetary boundary layer (PBL) and misrepresented nocturnal PBL transition. Hypothesis testing, which employs the Common Community Physics Package (CCPP) single‐column model (SCM) and uses the same physics as the UFS global model, confirms that these issues are attributed to the model physics and initialization. Specifically, misrepresented PBL processes are linked to problematic surface condition and a lack of cloud formation, which may stem from deficiencies in PBL and cloud microphysics parameterizations and their interactions. The UFS initial condition contributes to an earlier, excessively collapsed daytime convective boundary layer and a lack of decoupling between the stable boundary layer and residual layer late in the afternoon. This work introduces an avenue for the community to engage with the application of HSD, along with the CCPP and CCPP SCM, to understand the interplay of model physics, disentangle the roles of model components, as well as facilitate model and forecast improvement.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2021

Validation of Subhourly Clipping Loss Error Corrections

Under-performance of solar PV systems is an important issue that increases risks for stakeholders, including developers, investors and operators. Recently some attention has focused on underestimation of inverter clipping losses as a possible source of over-prediction where sub-hourly solar variability is high. Several models and data sets have been analyzed over the past few years, with the aim of quantifying, predicting, and correcting underestimated clipping loss errors for systems with high DC/AC ratio and solar variability. In this research, we apply a machine learning model developed at NREL to two physical PV systems, to correct for subhourly clipping losses. For each system, we compare overall AC power output for the model taken at 1-minute intervals to AC power output taken at 1-hour intervals with the addition of the subhourly clipping correction. Our findings consistently show that the addition of the clipping loss correction lead to a reduction in mean bias error of 0.8% and 1.2% for systems A and B, respectively, with no additional filtering applied. When examining high solar variability periods where clipping is more pronounced, system A and B experienced a 1.8% and 2.7% reduction in mean bias error, respectively, when the clipping correction was applied.

machine learning↗
DOE OSTI2021

Validation of Subhourly Clipping Loss Error Corrections: Preprint

Under-performance of solar PV systems is an important issue that increases risks for stakeholders, including developers, investors and operators. Recently some attention has focused on underestimation of inverter clipping losses as a possible source of over-prediction where sub-hourly solar variability is high. Several models and data sets have been analyzed over the past few years, with the aim of quantifying, predicting, and correcting underestimated clipping loss errors for systems with high DC/AC ratio and solar variability. In this research, we apply a machine learning model developed at NREL to two physical PV systems, to correct for subhourly clipping losses. For each system, we compare overall AC power output for the model taken at 1-minute intervals to AC power output taken at 1-hour intervals with the addition of the subhourly clipping correction. Our findings consistently show that the addition of the clipping loss correction lead to a reduction in mean bias error of 0.6\% and 1.1\% for systems A and B, respectively, with no additional filtering applied. When examining high solar variability periods where clipping is more pronounced, system A and B experienced a 1.4\% and 2.5\% reduction in mean bias error, respectively, when the clipping correction was applied.

machine learning↗
DOE OSTI2025

Kolmogorov-Arnold wavefunctions

Here, this work investigates Kolmogorov-Arnold network-based (KAN) wave-function Ansätz as viable representations for quantum Monte Carlo simulations. Through systematic analysis of one-dimensional model systems, we evaluate their computational efficiency and representational power against established methods. Our numerical experiments suggest some efficient training methods and we explore how the computational cost scales with desired precision, particle number, and system parameters. Roughly speaking, KANs seem to be 10 times cheaper computationally than other neural-network-based Ansätz . We also introduce a novel approach for handling strong short-range potentials—a persistent challenge for many numerical techniques—which generalizes efficiently to higher-dimensional, physically relevant systems with short-ranged strong potentials common in atomic and nuclear physics.

1-dimensional systems↗
DOE OSTI2023

Rotational symmetry protected edge and corner states in Abelian topological phases

Spatial symmetries can enrich the topological classification of interacting quantum matter and endow systems with non-trivial strong topological invariants (protected by internal symmetries) with additional "weak" topological indices. In this paper, we study the edge physics of systems with a non-trivial shift invariant, which is protected by either a continuous $\text{U}(1)_r$ or discrete $\text{C}_n$ rotation symmetry, along with internal $\text{U}(1)_c$ charge conservation. Specifically, we construct an interface between two systems which have the same Chern number but are distinguished by their Wen-Zee shift and, through analytic arguments supported by numerics, show that the interface hosts counter-propagating gapless edge modes which cannot be gapped by arbitrary local symmetry-preserving perturbations. Using the Chern-Simons field theory description of two-dimensional Abelian topological orders, we then prove sufficient conditions for continuous rotation symmetry protected gapless edge states using two complementary approaches. One relies on the algebraic Lagrangian sub-algebra framework for gapped boundaries while the other uses a more physical flux insertion argument. For the case of discrete rotation symmetries, we extend the field theory approach to show the presence of fractional corner charges for Abelian topological orders with gappable edges, and compute them in the case where the Abelian topological order is placed on the two-dimensional surface of a Platonic solid. Finally, our work paves the way for studying the edge physics associated with spatial symmetries in symmetry enriched topological phases.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2026

Associated Particle Imaging of Neutron Inelastic Scatter: 3-D Reconstruction, Capabilities, and Challenges

Associated particle imaging (API) offers unique advantages for 3-D imaging of neutron inelastic scatter, including single-view tomographic imaging and data acquisition when access is limited to only one side of the interrogated object. However, widespread adoption of neutron inelastic scatter imaging has been impeded by several inherent challenges, most prominently spatial resolution, self-attenuation, and statistical noise. Here, in this work, the capabilities and challenges of neutron inelastic scatter imaging are investigated. Instead of focusing on a single imaging application, we identify imaging principles that hold for various neutron inelastic scatter imaging techniques. The primary challenges for 3-D imaging are characterized. The inherent spatial resolution in the time-of-flight (TOF) dimension is derived based on the known system timing resolution and scan geometry. Three reconstruction algorithms are described and demonstrated, including the introduction of modern iterative reconstruction incorporating a physics-based system model. Simulation is leveraged to demonstrate imaging capability with varying coincidence count levels and system timing resolution. An example of measured data with both back-scatter and forward-scatter detector positioning is presented. System design characteristics and their effects on image quality are identified. The imaging framework presented in this article has the potential to facilitate growth of 3-D neutron inelastic scatter API by identifying applications that are a good match for the technique and by targeting system development resources toward the requirements of a specific imaging task.

Associated particle imaging (API)↗