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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 865 records · Page 48
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Sharp front tracking with geometric interface reconstruction

Here, this paper presents a novel sharp front-tracking method designed to address limitations in classical front-tracking approaches, specifically their reliance on smooth interpolation kernels and extended stencils for coupling the front and fluid mesh. In contrast, the proposed method employs exclusively sharp, localized interpolation and spreading kernels, restricting the coupling to the interfacial fluid cells–those containing the interface/front. This localized coupling is achieved by integrating a divergence-preserving velocity interpolation method with a piecewise parabolic interface calculation (PPIC) and a polyhedron intersection algorithm to compute the indicator function and local interface curvature. Surface tension is computed using the Continuum Surface Force (CSF) method, maintaining consistency with the sharp representation. Additionally, we propose an efficient local roughness smoothing implementation to account for surface mesh undulations, which is easily applicable to any triangulated surface mesh. Building on our previous work, the primary innovation of this study lies in the localization of the coupling for both the indicator function and surface tension calculations. By reducing the interface thickness on the fluid mesh to a single cell, as opposed to the 4–5 cell spans typical in classical methods, the proposed sharp front-tracking method achieves a highly localized and accurate representation of the interface. This sharper representation mitigates parasitic currents and improves force balancing, making it particularly suitable for scenarios where the interface plays a critical role, such as microfluidics, fluid-fluid interactions, and fluid-structure interactions. The proposed method is comprehensively validated and tested on canonical interfacial flow problems, including stationary and translating Laplace equilibria, oscillating droplets, and rising bubbles. The presented results demonstrate that the sharp front-tracking method significantly outperforms the classical approach in terms of accuracy, stability, and computational efficiency. Notably, parasitic currents are reduced by approximately two orders of magnitude and stable results are obtained for parameter ranges where classical front tracking fails to converge.

42 ENGINEERING↗
DOE OSTI2025

Design, Preparation, and Execution of the 100-AV Field Test for the CIRCLES Consortium: Methodology and Implementation of the Largest Mobile Traffic Control Experiment to Date

This article presents the comprehensive design, setup, execution, and evaluation of the MegaVanderTest (MVT) experiment conducted by the Congestion Impacts Reduction via CAV-in-the-Loop Lagrangian Energy Smoothing (CIRCLES) Consortium, which aimed to mitigate traffic congestion using partially autonomous vehicles (AVs) (see “Summary”). The experiment involved 100 vehicles on Nashville’s Interstate 24 (I-24) highway, utilizing various control algorithms to smooth stop-and-go traffic waves. The execution of the MVT experiment required a coordinated effort from multiple teams. This article details the meticulous planning process, the coordinated efforts of multiple teams, and the innovative use of a dynamic agent-based simulation framework for traffic evaluation. Here, the contributions of this work include demonstrating and providing a detailed roadmap for large-scale live traffic experiments, illustrating the lessons learned from the MVT experiment, and introducing the other articles in this issue and their complementary relationship in the MVT experiment.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2025

Reinforcement Learning-Based Oscillation Dampening: Scaling Up Single-Agent Reinforcement Learning Algorithms to a 100-Autonomous-Vehicle Highway Field Operational Test

In this article, we explore the technical details of the reinforcement learning (RL) algorithms that were deployed in the largest field test of automated vehicles designed to smooth traffic flow in history as of 2023, uncovering the challenges and breakthroughs that come with developing RL controllers for automated vehicles. We delve into the fundamental concepts behind RL algorithms and their application in the context of self-driving cars, discussing the developmental process from simulation to deployment in detail, from designing simulators to reward function shaping. We present the results in both simulation and deployment, discussing the flow-smoothing benefits of the RL controller. From understanding the basics of Markov decision processes to exploring advanced techniques such as deep RL, our article offers a comprehensive overview and deep dive of the theoretical foundations and practical implementations driving this rapidly evolving field. We also showcase real-world case studies and alternative research projects that highlight the impact of RL controllers in revolutionizing autonomous driving. From tackling complex urban environments to dealing with unpredictable traffic scenarios, these intelligent controllers are pushing the boundaries of what automated vehicles can achieve. Furthermore, we examine the safety considerations and hardware-focused technical details surrounding deployment of RL controllers into automated vehicles. As these algorithms learn and evolve through interactions with the environment, ensuring their behavior aligns with safety standards becomes crucial. Here, we explore the methodologies and frameworks being developed to address these challenges, emphasizing the importance of building reliable control systems for automated vehicles.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2021

Optimization of Magnesium‐Doped Lithium Metal Anode for High Performance Lithium Metal Batteries through Modeling and Experiment

Abstract Lithium (Li)‐magnesium (Mg) alloy with limited Mg amount, which can also be called Mg‐doped Li (Li‐Mg), has been considered as a potential alternative anode for high energy density rechargeable Li metal batteries. However, the optimum doping‐content of Mg in Li‐Mg anode and the mechanism of the improved performance are not well understood. Herein, density functional theory (DFT) calculations are used to investigate the effect of Mg amount in Li‐Mg anode. The Li‐Mg with about 5 wt. % Mg (abbreviated as Li‐Mg5) has the lowest absorption energy of Li, thus all the surface area can be “controlled” by Mg atoms, leading to the smooth and continuous deposition of Li on the surface around the Mg center. A localized high concentration electrolyte enables Li‐Mg5 to exhibit the best cycling stability in Li metal batteries with high‐loading cathode and lean electrolyte under 4.4 V high‐voltage, which is approaching the demand of practical application. This electrolyte also helps generate an inorganic‐rich solid electrolyte interphase, which leads to smooth, compact and less corrosion layer on the Li‐Mg5 surface. Both theoretical simulations and experimental results prove that Li‐Mg5 has optimum Mg content and gives best battery cycling performance.

Gao, Peiyuan↗
DOE OSTI2021

Optimization of Magnesium-Doped Lithium Metal Anode for High Performance Lithium Metal Batteries through Modeling and Experiment

Lithium (Li)-magnesium (Mg) alloy with limited Mg amount, which can also be called Mg-doped Li (Li-Mg), has been considered as a potential alternative anode for high energy density rechargeable Li metal batteries. However, the optimum doping-content of Mg in Li-Mg anode and the mechanism of the improved performance are not well understood. In this study, density functional theory (DFT) calculations are used to investigate the effect of Mg amount in Li-Mg anode. The Li-Mg with about 5 wt. % Mg (abbreviated as Li-Mg5) has the lowest absorption energy of Li, thus all the surface area can be “controlled” by Mg atoms, leading to the smooth and continuous deposition of Li on the surface around the Mg center. A localized high concentration electrolyte enables Li-Mg5 to exhibit the best cycling stability in Li metal batteries with high-loading cathode and lean electrolyte under 4.4 V high-voltage, which is approaching the demand of practical application. This electrolyte also helps generate an inorganic-rich solid electrolyte interphase, which leads to smooth, compact and less corrosion layer on the Li-Mg5 surface. Both theoretical simulations and experimental results prove that Li-Mg5 has optimum Mg content and gives best battery cycling performance.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

Shock Formation and Vorticity Creation for 3d Euler

Abstract We analyze the shock formation process for the 3D nonisentropic Euler equations with the ideal gas law, in which sound waves interact with entropy waves to produce vorticity. Building on our theory for isentropic flows in [3, 4], we give a constructive proof of shock formation from smooth initial data. Specifically, we prove that there exist smooth solutions to the nonisentropic Euler equations which form a generic stable shock with explicitly computable blowup time, location, and direction. This is achieved by establishing the asymptotic stability of a generic shock profile in modulated self‐similar variables, controlling the interaction of wave families via: (i) pointwise bounds along Lagrangian trajectories, (ii) geometric vorticity structure, and (iii) high‐order energy estimates in Sobolev spaces. © 2022 Wiley Periodicals LLC.

Mathematics↗
DOE OSTI2024

Robust 3D multi-material hydrodynamics using discontinuous Galerkin methods

A high-order discontinuous Galerkin (DG) method is presented for nonequilibrium multi-material (m ≥ 2) flow with sharp interfaces. Material interfaces are reconstructed using the algebraic THINC approach, resulting in a sharp interface resolution. The system assumes stiff velocity relaxation and pressure nonequilibrium. The presented DG method uses Dubiner's orthogonal basis functions on tetrahedral elements. This results in a unique combination of sharp multimaterial interfaces and high-order accurate solutions in smooth single-material regions. A novel shock indicator based on the interface conservation condition is introduced to mark regions with discontinuities. Slope limiting techniques are applied only in these regions so that nonphysical oscillations are eliminated while maintaining high-order accuracy in smooth regions. A local projection is applied on the limited solution to ensure discrete closure law preservation. The effectiveness of this novel limiting strategy is demonstrated for complex three-dimensional multi-material problems, where robustness of the method is critical. The presented numerical problems demonstrate that more accurate and efficient multi-material solutions can be obtained by the DG method, as compared to second-order finite volume methods.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2022

Anomalous structural recovery in the near glass transition range in a polymer glass: Data revisited in light of temperature variability in vacuum oven‐based experiments*

Abstract There is considerable interest in data reported by Cangialosi et al. [Cangialosi, D., Boucher, V. M., Alegría, A., & Colmenero, J. (2013). Physical Review Letters , 111 (9), 095701] that purportedly showed unusual irregular responses in the isothermal structural recovery behavior of glasses because the observation challenges the general view of the dynamics being smooth functions of time as observed in extensive dilatometric experiments by Kovacs [Kovacs, A. J. (1964). In Fortschritte der Hochpolymeren‐Forschung , 3 , 394–507. Springer, Berlin, Heidelberg.] in the 1960s. The reported data show an apparent two mechanism structural (enthalpy) recovery at aging temperatures ranging from 6 to 17 K below which is also controversial as it could not be reproduced in work from Koh and Simon [Koh, Y. P., & Simon, S. L. (2013). Macromolecules , 46(14), 5815–5821.] where a second plateau observed in the enthalpy loss curve was not reproduced in nearly 1‐year‐long experiments at 15 K below . Therefore, it is important to determine what might be possible reasons for the apparent non‐smooth relaxations. Here, we examine the possibility that the poor temperature control of a typical vacuum oven could explain the anomalous results. We used the Tool–Narayanaswamy–Moynihan (TNM) model of structural recovery to calculate the effect of typical vacuum oven temperature variation on the structural recovery of polystyrene and find that we can reproduce the reported experimental results. The issue of temperature control using a vacuum oven is discussed, and data from thermocouple measurements of temperature at various locations inside a vacuum oven are shown.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Fourier Neural Networks as Function Approximators and Differential Equation Solvers

We present a Fourier neural network (FNN) that can be mapped directly to the Fourier decomposition. The choice of activation and loss function yields results that replicate a Fourier series expansion closely while preserving a straightforward architecture with a single hidden layer. The simplicity of this network architecture facilitates the integration with any other higher-complexity networks, at a data pre- or postprocessing stage. We validate this FNN on naturally periodic smooth functions and on piecewise continuous periodic functions. We showcase the use of this FNN for modeling or solving partial differential equations with periodic boundary conditions. The main advantages of the current approach are the validity of the solution outside the training region, interpretability of the trained model, and simplicity of use.

Fourier decomposition↗
DOE OSTI2023

Using observational mean-flow data to drive large-eddy simulations of a diurnal cycle at the SWiFT site

Reproducing realistic date- and site-specific unsteady wind conditions in large-eddy simulations is becoming increasingly useful in wind energy. How to run a large-eddy simulation to match observed conditions, however, remains an open research question. One approach that has received considerable attention is mesoscale-to-microscale coupling, in which information about the mesoscale weather, most commonly acquired from a mesoscale numerical weather model, is passed on to a microscale model. In this paper, we demonstrate how the recently developed profile-assimilation technique, a form of mesoscale-to-microscale coupling, can be used to drive large-eddy simulations solely based on observed mean-flow profiles at a single location, bypassing the need for auxiliary mesoscale simulations. The new approach is evaluated for a diurnal cycle at the Scaled Wind Farm Technology site. Observed mean-flow profiles from the ground up to a height of 2 km are reconstructed by aggregating measurements from multiple instruments, and gaps in the data are infilled with natural neighbor interpolation. We perform nine simulations using various forcing approaches to deal with data limitations. The results show that it is indeed possible to drive microscale large-eddy simulation with observations using the profile-assimilation technique, notwithstanding large gaps in virtual potential temperature measurements. However, profile assimilation with vertical smoothing of the error between the desired and actual profiles is required. Without that smoothing, the microscale simulations develop unrealistically high turbulence levels under many situations. Finally, we show that simulated mesoscale data can account for missing observations, although care is needed as both data sources are not necessarily compatible.

17 WIND ENERGY↗
DOE OSTI2022

Growth of Crystallographically Aligned PbSe Films of Controlled Thickness on Amorphous Substrates

Lead selenide (PbSe) has extensively been investigated due to its thermoelectric and photoconductive properties. More recently, predictions of emergent properties have focused synthetic efforts on preparing ultra-smooth layers of crystallographically aligned PbSe layers with a thickness equal to an integer number of monolayers. While rough films are typically formed through Volmer-Weber growth on heated substrates, we report the data presented herein indicates that a crystallographically aligned, ultrathin layer with a defined number of PbSe layers forms on mostly amorphous Mo-Se and V-Se coated Si substrates during nominally room temperature deposition. Since the films are uniform in thickness, the number of PbSe bilayers formed depends on the amount of Pb (or Se) deposited. If the amount of Pb deposited is close to that required for an integral number of unit cells and there is sufficient Se, Laue oscillations are present in the as-deposited samples. The Laue oscillations reflect the quality and uniformity of the crystalline PbSe domains. This study demonstrates that the substrate does not need to be crystalline to form uniform, crystallographically aligned, integer monolayer thick PbSe films. These results suggest that tuning the strength of interactions be-tween substrate and growing film is necessary to form smooth, crystallographically aligned layers. The substrate does not need to be crystalline for these interactions to be strong enough to enable growth of crystallographically aligned films.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Machine Learning Methods for Connection RTT and Loss Rate Estimation Using MPI Measurements Under Random Losses

Scientific computations are expected to be increasingly distributed across wide-area networks, and Message Passing Interface (MPI) has been shown to scale to support their communications over long distances. Application-level measurements of MPI operations reflect the connection Round-Trip Time (RTT) and loss rate, and machine learning methods have been previously developed to estimate them under deterministic periodic losses. In this paper, we consider more complex, random losses with unform, Poisson and Gaussian distributions. We study five disparate machine leaning methods, with linear and non-linear, and smooth and non-smooth properties, to estimate RTT and loss rate over 10Gbps connections with 0-366ms RTT. The diversity and complexity of these estimators combined with the randomness of losses and TCP’s non-linear response together rule out the selection of a single best among them; instead, we fuse them to retain their design diversity. Overall, the results show that accurate estimates can be generated at low loss rates but become inaccurate at loss rates 10% and higher, thereby illustrating both their strengths and limitations.

Generalization Bounds↗
DOE OSTI2022

Exploiting the Local Parabolic Landscapes of Adversarial Losses to Accelerate Black-Box Adversarial Attack

Existing black-box adversarial attacks on image classifiers update the perturbation at each iteration from only a small number of queries of the loss function. Since the queries contain very limited information about the loss, black-box methods usually require much more queries than white-box methods. We propose to improve the query efficiency of black-box methods by exploiting the smoothness of the local loss landscape. However, many adversarial losses are not locally smooth with respect to pixel perturbations. To resolve this issue, our first contribution is to theoretically and experimentally justify that the adversarial losses of many standard and robust image classifiers behave like parabolas with respect to perturbations in the Fourier domain. Our second contribution is to exploit the parabolic landscape to build a quadratic approximation of the loss around the current state, and use this approximation to interpolate the loss value as well as update the perturbation without additional queries. Since the local region is already informed by the quadratic fitting, we use large perturbation steps to explore far areas. We demonstrate the efficiency of our method on MNIST, CIFAR-10 and ImageNet datasets for various standard and robust models, as well as on Google Cloud Vision. The experimental results show that exploiting the loss landscape can help significantly reduce the number of queries and increase the success rate. Our codes are available at https://github.com/HoangATran/BABIES.

Tran, Hoang↗
DOE OSTI2022

Entanglement island, miracle operators and the firewall

In this paper, we obtain some general results on information retrieval from the black hole interior, based on the recent progress on quantum extremal surface formula and entanglement island. We study an AdS black hole coupled to a bath with generic dynamics, and ask whether it is possible to retrieve information about a small perturbation in the interior from the bath system. We show that the one-norm distance between two reduced states in a bath region A is equal to the same quantity in the bulk quantum field theory for region AI where I is the entanglement island of A. This is a straightforward generalization of bulk-boundary correspondence in AdS/CFT. However, we show that a contradiction arises if we apply this result to a special situation when the bath dynamics includes a unitary operation that carries a particular measurement to a region A and send the result to another region W. Physically, the contradiction arises between transferability of classical information during the measurement, and non-transferability of quantum information which determines the entanglement island. We propose that the resolution of the contradiction is to realize that the state reconstruction formula does not apply to the special situation involving interior-information-retrieving measurements. This implies that the assumption of smooth replica AdS geometry with boundary condition set by the flat space bath has to break down when the particular measurement operator is applied to the bath. Using replica trick, we introduce an explicitly construction of such operator, which we name as “miracle operators”. From this construction we see that the smooth replica geometry assumption breaks down because we have to introduce extra replica wormholes connecting with the “simulated blackholes” introduced by the miracle operator. We study the implication of miracle operators in understanding the firewall paradox.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2020

Holomorphic waves of black hole microstructure

We obtain the largest families constructed to date of $$ \frac{1}{8} $$ 1 8 -BPS solutions of type IIB supergravity. They have the same charges and mass as supersymmetric D1-D5-P black holes, but they cap off smoothly with no horizon. Their construction relies on the structure of superstratum states, but allows the momentum wave to have an arbitrary shape. Each family is based on an arbitrary holomorphic function of one variable. More broadly, we show that the most general solution is described by two arbitrary holomorphic functions of three variables. After exhibiting several new families of such “holomorphic superstrata,” we reformulate the BPS backgrounds and equations in holomorphic form and show how this simplifies their structure. The holomorphic formulation is thus both a fundamental part of superstrata as well as an effective tool for their construction. In addition, we demonstrate that holomorphy provides a powerful tool in establishing the smoothness of our solutions without constraining the underlying functions. We also exhibit new families of solutions in which the momentum waves of the superstrata are highly localized at infinity but diffuse and spread into the infra-red limit in the core of the superstratum. Our work also leads to some results that can be tested within the dual CFT.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2021

Phase transitions from the fifth dimension

We study the cosmological transition of 5D warped compactifications, from the high-temperature black-brane phase to the low-temperature Randall-Sundrum I phase. The transition proceeds via percolation of bubbles of IR-brane nucleating from the black-brane horizon. The violent bubble dynamics can be a powerful source of observable stochastic gravitational waves. While bubble nucleation is non-perturbative in 5D gravity, it is amenable to semiclassical treatment in terms of a “bounce” configuration interpolating between the two phases. We demonstrate how such a bounce configuration can be smooth enough to maintain 5D effective field theory control, and how a simple ansatz for it places a rigorous lower-bound on the transition rate in the thin-wall regime, and gives plausible estimates more generally. When applied to the Hierarchy Problem, the minimal Goldberger-Wise stabilization of the warped throat leads to a slow transition with significant supercooling. We demonstrate that a simple generalization of the Goldberger-Wise potential modifies the IR-brane dynamics so that the transition completes more promptly. Supercooling determines the dilution of any (dark) matter abundances generated before the transition, potentially at odds with data, while the prompter transition resolves such tensions. We discuss the impact of the different possibilities on the strength of the gravitational wave signals. Via AdS/CFT duality the warped transition gives a theoretically tractable holographic description of the 4D Composite Higgs (de)confinement transition. Our generalization of the Goldberger-Wise mechanism is dual to, and concretely models, our earlier proposal in which the composite dynamics is governed by separate UV and IR RG fixed points. The smooth 5D bounce configuration we introduce complements the 4D dilaton/radion dominance derivation presented in our earlier work.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2021

Supersymmetry and superstrata in three dimensions

We analyze the supersymmetry transformations of gauged SO(4) supergravity coupled to extra hypermultiplets in three dimensions, and find large families of smooth BPS solutions that preserve four supersymmetries. These BPS solutions are part of the consistent truncation of some families of six-dimensional superstrata. From the three-dimensional perspective, these solutions give rise to “smoothly-capped BTZ” geometries. We show how the twisting of the spin connection, the holomorphy of the fields, and the Chern-Simons connections all play an essential role in the existence of these supersymmetric solutions. This paper also closes the circle on the consistent truncation of superstrata, showing precisely how every feature of the superstratum enters into the three-dimensional BPS structure.

79 ASTRONOMY AND ASTROPHYSICS↗