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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 487 records · Page 27
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

Developing an Undergraduate Research Laboratory for Experimental Physical Chemistry [Book Chapter]

Embarking on a faculty career in physical chemistry at a primarily undergraduate institution (PUI) is exciting, but also overwhelming. Becoming both an effective teacher and a productive researcher requires a good plan, hard work and support from others who understand what it takes to be successful. The phrase, “building a laboratory,” calls to mind the physical construction of a research instrument, but beginning a career at a PUI involves much more than assembling equipment. Funding for the lab must be secured, students must be recruited and mentored, and the lab must be overseen to keep things running on a daily basis. While many of these tasks would also be part of starting a career at a doctoral level institution, there are many special considerations that must be taken into account when working with undergraduate students because their laboratory experience and chemical knowledge are still within those beautiful but nascent stages. Here, this unique aspect makes building a research program challenging, but also very rewarding. Exposing young minds to the wonders of physical chemistry and building personal relationships through the mentoring process can be immensely gratifying. This chapter is a compilation of holistic advice for building an experimental physical chemistry research laboratory for undergraduates, reflecting a typical experience found in the United States.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2020

Physics-Informed Deep Neural Networks for Learning Parameters and Constitutive Relationships in Subsurface Flow Problems

In this paper, we present a physics informed deep neural network (DNN) method for estimating parameters and unknown physics (constitutive relationships) in partial differential equation (PDE) models. We use PDEs in addition to measurements to train DNNs to approximate unknown parameters and constitutive relationships as well as states. The proposed approach increases the accuracy of DNN approximations of partially known functions when a limited number of measurements is available and allows for training DNNs when no direct measurements of the functions of interest are available. We employ physics informed DNNs to estimate the unknown space-dependent diffusion coefficient in a linear diffusion equation and an unknown constitutive relationship in a non-linear diffusion equation. For the parameter estimation problem, we assume that partial measurements of the coefficient and states are available and demonstrate that under these conditions, the proposed method is more accurate than state-of-the-art methods. For the non-linear diffusion PDE model with a fully unknown constitutive relationship (i.e., no measurements of constitutive relationship are available), the physics informed DNN method can accurately estimate the non-linear constitutive relationship based on state measurements only. Finally, we demonstrate that the proposed method remains accurate in the presence of measurement noise.

42 ENGINEERING↗
DOE OSTI2023

Using a physics-informed neural network and fault zone acoustic monitoring to predict lab earthquakes

Abstract Predicting failure in solids has broad applications including earthquake prediction which remains an unattainable goal. However, recent machine learning work shows that laboratory earthquakes can be predicted using micro-failure events and temporal evolution of fault zone elastic properties. Remarkably, these results come from purely data-driven models trained with large datasets. Such data are equivalent to centuries of fault motion rendering application to tectonic faulting unclear. In addition, the underlying physics of such predictions is poorly understood. Here, we address scalability using a novel Physics-Informed Neural Network (PINN). Our model encodes fault physics in the deep learning loss function using time-lapse ultrasonic data. PINN models outperform data-driven models and significantly improve transfer learning for small training datasets and conditions outside those used in training. Our work suggests that PINN offers a promising path for machine learning-based failure prediction and, ultimately for improving our understanding of earthquake physics and prediction.

42 ENGINEERING↗
DOE OSTI2024

Quantifying local and global mass balance errors in physics-informed neural networks

Physics-informed neural networks (PINN) have recently become attractive for solving partial differential equations (PDEs) that describe physics laws. By including PDE-based loss functions, physics laws such as mass balance are enforced softly in PINN. This paper investigates how mass balance constraints are satisfied when PINN is used to solve the resulting PDEs. We investigate PINN’s ability to solve the 1D saturated groundwater flow equations (diffusion equations) for homogeneous and heterogeneous media and evaluate the local and global mass balance errors. We compare the obtained PINN’s solution and associated mass balance errors against a two-point finite volume numerical method and the corresponding analytical solution. We also evaluate the accuracy of PINN in solving the 1D saturated groundwater flow equation with and without incorporating hydraulic heads as training data. We demonstrate that PINN’s local and global mass balance errors are significant compared to the finite volume approach. Tuning the PINN’s hyperparameters, such as the number of collocation points, training data, hidden layers, nodes, epochs, and learning rate, did not improve the solution accuracy or the mass balance errors compared to the finite volume solution. Mass balance errors could considerably challenge the utility of PINN in applications where ensuring compliance with physical and mathematical properties is crucial.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2022

NEFTSec: Networked federation testbed for cyber-physical security of smart grid: Architecture, applications, and evaluation

As today's power grid is evolving into a densely interconnected cyber-physical system (CPS), a high fidelity and multifaceted testbed environment is needed to perform cybersecurity experiments in a realistic grid environment. Traditional standalone CPS testbeds lack the ability to emulate complex cyber-physical interdependencies between multiple smart grid domains in a real-time environment. Therefore, there are ongoing research and development (R&D) efforts to develop an interconnected CPS testbed by sharing geographically dispersed testbed resources to perform distributed simulation while analysing simulation fidelity. This paper presents a networked federation testbed for cybersecurity evaluation of today's and emerging smart grid environments. Specifically, it presents two novel testbed architectures, including cyber federation and cyber-physical federation, identifies R&D applications, and also describes testbed building blocks with experimental case studies. It also presents a novel co-simulation interface algorithm to facilitate distributed simulation within cyber-physical federation. The resources available at the PowerCyber CPS security testbed at Iowa State University (ISU) and the US Army Research Laboratory are utilised to develop this platform for performing multiple experimental case studies pertaining to wide-area protection and control applications in power system. Finally, experimental results are presented to analyse the simulation fidelity and real-time performance of the testbed federation.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2021

Validation of Physics Models of Geant4 Versions 10.4.p03, 10.6.p02 and 10.7.p01 using Data from the CMS Experiment

CMS tuned its simulation program and chose a specific physics model of Geant4 by comparing the simulation results with dedicated test beam experiments. Test beam data provide measurements of energy response of the calorimeter as well as resolution for well identified charged hadrons over a large energy region. CMS continues to validate the physics models using the test beam data as well as collision data from the Large Hadron Collider. Isolated charged particles are measured simultaneously in the tracker as well as in the calorimeters. These events are selected using dedicated triggers and are used to measure the response in the calorimeter. Different versions of Geant4 (10.2.p02, 10.4.p03, 10.6.p02) have been used by CMS for its Monte Carlo production and a new version (10.7.p01) is now chosen for future productions. A suitable physics list (collection of physics models) is chosen by optimizing performance against accuracy. A detailed comparison between data and Geant4 predictions is presented in this paper.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2026

Construction of generalized quasilinear diffusion coefficient using neural networks with physical restrictions

The quasilinear diffusion coefficient (D QL ) derived from our machine learning framework shows comparable trends with the ground truth D QL obtained from GENRAY-CQL3D simulations. Additionally, for the strong absorption cases, the radial current drive profiles generated using the D QL from our model exhibit consistent behavior with those obtained from the original simulation. These findings indicate the potential of our surrogate modeling approach with physical restrictions to replicate key wave–plasma interaction characteristics while reducing computational costs. Traditionally, calculating D QL for wave–particle interactions relies on computationally intensive wave simulations coupled with Fokker–Planck solvers. To address this challenge, we developed a machine learning-based surrogate model with physical restrictions derived from cold plasma theory and bounce-averaged damping effects. First, we establish the propagation domain of Lower Hybrid Waves in the (N∥, ρ) space by identifying the accessibility limit and determining the upper and lower bounds of N∥ using the Potential Power Deposition (PPD) method. Subsequently, leveraging a database constructed using Latin hypercube sampling alongside the underlying physical restrictions (e.g. PPD), machine learning methods including U-Net and Recurrent Neural Networks are employed to design a physics-restricted machine learning framework capable of reconstructing D QL .

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2024

Physics-informed machine learning of the correlation functions in bulk fluids

The Ornstein–Zernike (OZ) equation is the fundamental equation for pair correlation function computations in the modern integral equation theory for liquids. In this work, machine learning models, notably physics-informed neural networks and physics-informed neural operator networks, are explored to solve the OZ equation. The physics-informed machine learning models demonstrate great accuracy and high efficiency in solving the forward and inverse OZ problems of various bulk fluids. The results highlight the significant potential of physics-informed machine learning for applications in thermodynamic state theory.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2024

Predicting turbulent wake flow of marine hydrokinetic turbine arrays in large-scale waterways via physics-enhanced convolutional neural networks

We present a physics-enhanced convolutional neural network (PECNN) algorithm for reconstructing the mean flow and turbulence statistics in the wake of marine hydrokinetic (MHK) turbine arrays installed in large-scale meandering rivers. The algorithm embeds the mass and momentum conservation equations into the loss function of the PECNN algorithm to improve the physical realism of the reconstructed flow fields. The PECNN is trained using large eddy simulation (LES) results of the wake flow of a single row of turbines in a virtual meandering river. Subsequently, the trained PECNN is applied to predict the wake flow of MHK turbines with arrangements and positionings different than those considered during the training process. The PECNN predictions are validated using the results of separately performed LES. The results show that the PECNN algorithm can accurately predict the wake flow of MHK turbine farms at a small fraction of the cost of LES. The PECNN can improve the accuracy by around 1% and reduce the physical constraint indices by around 50% compared to the CNN without physical constraints. This work underscores the potential of PECNN to develop reduced-order models for control co-design and optimization of MHK turbine arrays in natural riverine environments.

Mechanics↗
DOE OSTI2022

Fascinating physics at the edge of magnetic fusion devices

Abstract The physics of the processes at the edge of magnetic fusion devices is multifaceted and exhibits complex, nonlinear synergistic effects. Even though this region occupies only a small portion of the whole device, it plays a crucial role in overall plasma confinement, heat exhaust, and plasma–wall interactions. The latter affects not only the performance but also the lifetime of plasma-facing components and therefore remains an outstanding challenge for future fusion reactors. At the edge of fusion devices, researchers are dealing with phenomena including classical and anomalous plasma transport, atomic physics effects, and physics of plasma-facing material under strong irradiation by particle and energy fluxes. The diversity of edge physics makes it particularly attractive for young scientists. Working in this field, they can find endless possibilities to demonstrate their talents and creativity. This short review describes just some of the basic scrape-off layer and divertor plasma phenomena including divertor plasma detachment, intermittent bursts of anomalous cross-field plasma transport, plasma–material interactions, and dust in fusion plasmas, which are of particular interest in relation to fusion reactors.

Physics↗
DOE OSTI2022

Review of the gas breakdown physics and nanomaterial-based ionization gas sensors and their applications

Ionization gas sensors are ubiquitous tools that can monitor desired gases or detect abnormalities in real time to protect the environment of living organisms or to maintain clean and/or safe environment in industries. The sensors’ working principle is based on the fingerprinting of the breakdown voltage of one or more target gases using nanostructured materials. Fundamentally, nanomaterial-based ionization-gas sensors operate within a large framework of gas breakdown physics; signifying that an overall understanding of the gas breakdown mechanism is a crucial factor in the technological development of ionization gas sensors. Moreover, many studies have revealed that physical properties of nanomaterials play decisive roles in the gas breakdown physics and the performance of plasma-based gas sensors. Based on this insight, this review provides a comprehensive description of the foundation of both the gas breakdown physics and the nanomaterial-based ionization-gas-sensor technology, as well as introduces research trends on nanomaterial-based ionization gas sensors. The gas breakdown is reviewed, including the classical Townsend discharge theory and modified Paschen curves; and nanomaterial-based-electrodes proposed to improve the performance of ionization gas sensors are introduced. The secondary electron emission at the electrode surface is the key plasma–surface process that affects the performance of ionization gas sensors. Finally, we present our perspectives on possible future directions.

nanomaterial-based gas breakdown characteristics↗
DOE OSTI2022

Physics makes the difference: Bayesian optimization and active learning via augmented Gaussian process

Abstract Both experimental and computational methods for the exploration of structure, functionality, and properties of materials often necessitate the search across broad parameter spaces to discover optimal experimental conditions and regions of interest in the image space or parameter space of computational models. The direct grid search of the parameter space tends to be extremely time-consuming, leading to the development of strategies balancing exploration of unknown parameter spaces and exploitation towards required performance metrics. However, classical Bayesian optimization (BO) strategies based on the Gaussian process (GP) do not readily allow for the incorporation of the known physical behaviors or past knowledge. Here we explore a hybrid optimization/exploration algorithm created by augmenting the standard GP with a structured probabilistic model of the expected system’s behavior. This approach balances the flexibility of the non-parametric GP approach with a rigid structure of physical knowledge encoded into the parametric model. The fully Bayesian treatment of the latter allows additional control over the optimization via the selection of priors for the model parameters. The method is demonstrated for a noisy version of a standard univariate test function used to evaluate optimization algorithms and further extended to physical lattice models. This methodology is expected to be universally suitable for injecting prior knowledge in the form of physical models and past data in the BO framework.

42 ENGINEERING↗
DOE OSTI2023

Applications of physics informed neural operators

Abstract We present a critical analysis of physics-informed neural operators (PINOs) to solve partial differential equations (PDEs) that are ubiquitous in the study and modeling of physics phenomena using carefully curated datasets. Further, we provide a benchmarking suite which can be used to evaluate PINOs in solving such problems. We first demonstrate that our methods reproduce the accuracy and performance of other neural operators published elsewhere in the literature to learn the 1D wave equation and the 1D Burgers equation. Thereafter, we apply our PINOs to learn new types of equations, including the 2D Burgers equation in the scalar, inviscid and vector types. Finally, we show that our approach is also applicable to learn the physics of the 2D linear and nonlinear shallow water equations, which involve three coupled PDEs. We release our artificial intelligence surrogates and scientific software to produce initial data and boundary conditions to study a broad range of physically motivated scenarios. We provide the source code , an interactive website to visualize the predictions of our PINOs, and a tutorial for their use at the Data and Learning Hub for Science .

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2023

Combining variational autoencoders and physical bias for improved microscopy data analysis *

Electron and scanning probe microscopy produce vast amounts of data in the form of images or hyperspectral data, such as electron energy loss spectroscopy or 4D scanning transmission electron microscope, that contain information on a wide range of structural, physical, and chemical properties of materials. To extract valuable insights from these data, it is crucial to identify physically separate regions in the data, such as phases, ferroic variants, and boundaries between them. In order to derive an easily interpretable feature analysis, combining with well-defined boundaries in a principled and unsupervised manner, here we present a physics augmented machine learning method which combines the capability of variational autoencoders to disentangle factors of variability within the data and the physics driven loss function that seeks to minimize the total length of the discontinuities in images corresponding to latent representations. Our method is applied to various materials, including NiO-LSMO, BiFeO 3 , and graphene. The results demonstrate the effectiveness of our approach in extracting meaningful information from large volumes of imaging data. The customized codes of the required functions and classes to develop phyVAE is available at https://github.com/arpanbiswas52/phy-VAE.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2025

Exogeological inferences from white dwarf pollutants: the impact of stellar physics

Many white dwarfs have accreted material from their own planetary systems. These objects can be used to infer the composition of exoplanetary material and identify evidence for key geological processes. However, the white dwarf atmospheric physics distorts the inferred material composition away from the true composition, mainly through differential atomic diffusion of the accreted metals. Correcting for this effect is essential, but is dependent on various physical assumptions associated with the white dwarf itself. We first focus on the effect of assumptions related to convective overshoot and thermohaline mixing on the atomic diffusion time-scales. For white dwarfs with H-dominated atmospheres between 12000 K and 18000 K⁠, we find that including a complete treatment of convective overshoot decreases the inferred Fe and O abundances in accreted material. For these white dwarfs, we also find that including thermohaline mixing decreases Fe and O abundances. For He-dominated systems, the effect of convective overshoot is comparatively minor. We then explore the overall effect of other physical assumptions by comparing publicly available grids of diffusion time-scales. We find that the choice of model grid can have a large impact for white dwarfs with He-dominated atmospheres, notably on the inferred core to mantle ratio of accreted material. We identify several systems for which the geological interpretation is robust against these systematics. We also present a ‘discrepancy metric’ which can be used to estimate the potential impact of changing the stellar physics without requiring detailed modelling.

Astronomy and AstroPhysics↗
DOE OSTI2020

The Belle II Physics Book

The Belle II Theory Interface Platform (B2TiP) was created as a physics prospects working group of the Belle II collaboration in June 2014. It offered a platform where theorists and experimentalists could work together to elucidate the potential impacts of the Belle II program, which includes a wide scope of physics topics: B physics, charm, τ, quarkonium physics, electroweak precision measurements, and dark sector searches.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2024

Higgs to b b ¯ from vector boson fusion for high-scale physics

Vector boson fusion is arguably the most direct collider probe of electroweak symmetry breaking. Typically, the signature includes two forward/backward jets with low transverse momenta with a scale that is set by the mass of the vector boson. For this reason, an upper cut is used when searching for vector boson fusion processes in the Standard Model. Alternatively, the upper cut on the forward jets can be removed and the high-momentum exchange region of vector boson fusion can be studied. This phase space region has sensitivity to new physics via higher dimensional operators and form factors. In this work, we study the high-momentum region of the vector boson fusion channel where the Higgs decays to b b ¯ . We show that, depending on the form of new physics, the limits on the new physics scale range from 0.5 to 1.8 TeV. Published by the American Physical Society 2024

Astronomy & Astrophysics↗
DOE OSTI2025

Method to simultaneously facilitate all jet physics tasks

Machine learning has become an essential tool in jet physics. Due to their complex, high-dimensional nature, jets can be explored holistically by neural networks in ways that are not possible manually. However, innovations in all areas of jet physics are proceeding in parallel. We show that specially constructed machine learning models trained for a specific jet classification task can improve the accuracy, precision, or speed of all other jet physics tasks. This is demonstrated by training on a particular multiclass generation and classification task and then using the learned representation for different generation and classification tasks, for datasets with a different (full) detector simulation, for jets from a different collision system ($pp$ versus $ep$), for generative models, for likelihood ratio estimation, and for anomaly detection. We consider our omnilearn approach thus as a jet-physics foundation model. It is made publicly available for use in any area where state-of-the-art precision is required for analyses involving jets and their substructure.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗