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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 37 records · Page 2
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Corrosion Testing of Bubbler Materials for LAW Vitrification (Rev. 0)

This work involved crucible-scale corrosion tests using coupons of selected materials in the baseline glass formulations for the seven LAW Sub-Envelopes. The tests were performed with Inconel 690 and MA 758; per the Test Plan, selected tests were also performed with a proprietary high temperature alloy supplied by SRTC. Coupons of these materials were tested for their corrosion resistance to LAW baseline glasses in two test series: the first series was with a baseline glass only, the second series was with a baseline glass and an added salt layer.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Computing the solubility of argon and xenon in molten sodium chloride and potassium chloride salts

Molten salt reactors (MSRs) offer significant advancements in nuclear reactor safety and efficiency by operating at higher temperatures and lower pressures compared to traditional reactors. A critical aspect of MSR operation involves understanding the solubility of fission byproducts, particularly noble gases, in the molten salts used. This study employs molecular dynamics (MD) simulations to compute Henry’s law constants and enthalpies of solvation for argon and xenon in molten sodium chloride (NaCl) and potassium chloride (KCl). We developed a new pairwise potential for the noble gas and salt interactions based on first principles calculations. We then used this potential to calculate Henry’s law constants of the two gases in the molten salts, which were modeled using both a rigid ion model (RIM) and a polarizable ion model (PIM). The solubility calculations, performed using the Widom insertion method, show qualitative agreement with limited experimental data, highlighting the temperature dependence and greater solubility of both gases in KCl compared to NaCl. Additionally, free volume analysis elucidated the role of available space within the molten salts in governing solubility trends. Our findings suggest that PIM trajectories provide more reliable predictions for noble gas solubility than RIM due to their accurate density representation. Furthermore, these results enhance understanding of gas solubility in MSR environments, and the methods can be readily extended to other systems.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2025

Cyberattack Detection and Mitigation on Central Volt‐VAr Using Circuit Law and Machine Learning

ABSTRACT In a distribution grid, voltage is maintained within a nominal range through a Volt‐VAr function that controls capacitor banks, reactive power of distributed energy resources (DER), and on‐load tap changers (OLTC). Availability of communications helps with the implementation of central Volt‐VAr control; however, it also opens the system to cyberattacks, causing voltage disturbances. Previous work has shown the adverse impacts of false data injection (FDI) on the central Volt‐VAr control; however, very few works have studied methods to detect and mitigate FDI on Volt‐VAr control. This paper addresses gaps in the detection and mitigation of FDI on the measurement packets of a central Volt‐VAr control. This work uses a two‐stage algorithm for cyberattack detection since the accuracy of a single‐stage machine learning (ML)–based detection method decreases while dealing with unseen data. The first stage is based on the verification of measurements against circuit laws, and the second stage utilizes a tree search algorithm and an ML method to detect the falsified data. This paper compares long short‐term memory (LSTM) and bidirectional LSTM (BiLSTM) as the employed ML algorithms. Finally, the mitigation algorithm replaces the falsified data with the estimated output of the ML algorithm. The effectiveness of the proposed method is tested for several cases using the IEEE 13‐bus test system in PSCAD software.

Beikbabaei, Milad [Bradley Department of Electrica↗
DOE OSTI2025

Analysis of the density field around a supersonic conical projectile using quantitative schlieren

Quantitative schlieren imaging is a flow measurement technique that is capable of measuring density fields throughout refractive flowfields. The technique was applied here to measure the density field surrounding supersonic conical projectiles in free flight. Shock waves attached to a supersonic conical projectile offer a simple geometry with the well-established Taylor–Maccoll analytical flow solution to which these experimental measurements were compared. The schlieren images recorded a projection of the index of refraction field surrounding the 10° half-angle cones which was converted to density first through an Abel inversion and then the Gladstone–Dale law. Three Abel inversion methods—two-point, three-point, and arbitrary ray axisymmetric projection (ARAP)—were applied to deconvolute the three-dimensional flow within the constrained axisymmetric flow field. The resulting reconstructed density profiles were compared to the Taylor–Maccoll solution, parameterized by cone geometry and Mach number. The experimental density fields demonstrated strong agreement with the theoretical profiles. Experimental consistency was confirmed across various projectile speeds, demonstrating quantitative schlieren’s capability to accurately reconstruct the density of the flow field, even within the resolution constraints imposed by high-speed imaging. In conclusion, an assessment of experimental uncertainties in the density reconstruction was performed.

Abel Inversion↗
DOE OSTI2024

Core inductive electric field during sawtooth crashes on DIII-D

Sawtooth crashes on tokamak plasmas exhibit relaxation much faster than resistive time scales via a mechanism not fully understood. Using core magnetic measurements from the Radial Interferometer-Polarimeter (RIP) diagnostic on the DIII-D tokamak, Grad–Shafranov equilibria constrained by internal magnetic measurements that have high time resolution (<1μs) can be computed, allowing analysis of how equilibrium parameters such as safety factor q, current density J, and parallel electric field E ∥ , particularly on-axis, evolve. At the sawtooth crash, on-axis safety factor q 0 is observed to rise by 5% but remain below 1 throughout the cycle, and on-axis current density J 0 is observed to drop by 5%. On-axis parallel electric field E ∥ (0) is found to be balanced by ηJ 0 (resistivity times on-axis current density) except during the 200 µs crash period, where E ∥ (0) reaches 22 V m –1 , exceeding ηJ 0 by a factor of more than 2000. These first measurements in tokamak plasmas verify that generalized Ohm's law is not balanced during the crash by resistive effects alone; this is a finding expected due to the relaxation being much faster than resistive timescales. As a result, measurement of the electric field during the tokamak sawtooth serves to illuminate the physical mechanisms at work.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2025

Relaxation time approximation for a multispecies relativistic gas

We generalize a recent prescription for the relaxation time approximation for the relativistic Boltzmann equation for systems with multiple particle species at finite temperature. This is performed by adding counter-terms to the traditional Anderson-Witting ansatz for each particle species. Our approach allows for the use of momentum-dependent relaxation times and the obedience of local conservation laws regardless of the definition of the local equilibrium state. As an application, we derive the first order Chapman-Enskog corrections to the equilibrium distribution and display results for the hadron-resonance gas. We also demonstrate that our collision term ansatz obeys the second law of thermodynamics.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2024

Learning dynamical systems from data: An introduction to physics-guided deep learning

Modeling complex physical dynamics is a fundamental task in science and engineering. Traditional physics-based models are first-principled, explainable, and sample-efficient. However, they often rely on strong modeling assumptions and expensive numerical integration, requiring significant computational resources and domain expertise. While deep learning (DL) provides efficient alternatives for modeling complex dynamics, they require a large amount of labeled training data. Furthermore, its predictions may disobey the governing physical laws and are difficult to interpret. Physics-guided DL aims to integrate first-principled physical knowledge into data-driven methods. It has the best of both worlds and is well equipped to better solve scientific problems. Recently, this field has gained great progress and has drawn considerable interest across discipline Here, we introduce the framework of physics-guided DL with a special emphasis on learning dynamical systems. We describe the learning pipeline and categorize state-of-the-art methods under this framework. We also offer our perspectives on the open challenges and emerging opportunities.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2025

The tensor-train stochastic finite volume method for uncertainty quantification

The stochastic finite volume method offers an efficient one-pass approach for assessing uncertainty in hyperbolic conservation laws. Still, it struggles with the curse of dimensionality when dealing with multiple stochastic variables. Here, we introduce the stochastic finite volume method within the tensor-train framework to counteract this limitation. This integration, however, comes with its own set of difficulties, mainly due to the propensity for shock formation in hyperbolic systems. To overcome these issues, we have developed a tensor-train-adapted stochastic finite volume method that employs a global WENO reconstruction, making it suitable for such complex systems. This approach represents the first step in designing tensor-train techniques for hyperbolic systems and conservation laws involving shocks.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2025

Radiative Heat Transfer and 2D Transition Metal Dichalcogenide Materials

Here we study the radiative heat transfer power in the family of transition metal dichalcogenide monolayers in their H- and T-symmetries. For this purpose, the electronic and optical properties computed from first-principles are used in effective models to understand the emerging scaling laws for metals and semiconductors as well as specific material signatures as control knobs for radiative heat transfer. Our combined approach of analytical modeling with properties from ab initio simulations can be used for other materials families to build a materials database for radiative heat transfer.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Stability of the first-order character of phase transition in HoCo 2

HoCo 2 exhibits a giant magnetocaloric (MC) effect at its first-order magnetostructural phase transition around 77 K, and understanding the thermodynamic nature of this transition in response to external magnetic fields is crucial for its MC applications. In this study, we present a comprehensive investigation of specific heat and magnetization measurements of HoCo 2 under varying magnetic fields. The specific heat measurements qualitatively indicate a transformation from first- to second-order behavior of this phase transition at higher magnetic fields. However, analysis of the power-law dependence of the magnetic entropy change (Δ S M ∝H n ) and the breakdown of universal behavior in the temperature dependence of Δ S M suggest that the first-order nature remains intact, even up to 7 T. This stability of the first-order nature is further manifested through the distinctive non-linear behavior of modified Arrott plots, with a negative slope in the 6–7 T range.

36 MATERIALS SCIENCE↗
DOE OSTI2025

GRB 221009A: The B.O.A.T. Burst that Shines in Gamma Rays

We present a complete analysis of Fermi Large Area Telescope (LAT) data of GRB 221009A, the brightest gamma-ray burst (GRB) ever detected. The burst emission above 30 MeV detected by the LAT preceded, by 1 s, the low-energy (<10 MeV) pulse that triggered the Fermi Gamma-Ray Burst Monitor (GBM), as has been observed in other GRBs. The prompt phase of GRB 221009A lasted a few hundred seconds. It was so bright that we identify a bad time interval of 64 s caused by the extremely high flux of hard X-rays and soft gamma rays, during which the event reconstruction efficiency was poor and the dead time fraction quite high. The late-time emission decayed as a power law, but the extrapolation of the late-time emission during the first 450 s suggests that the afterglow started during the prompt emission. We also found that high-energy events observed by the LAT are incompatible with synchrotron origin, and, during the prompt emission, are more likely related to an extra component identified as synchrotron self-Compton (SSC). A remarkable 400 GeV photon, detected by the LAT 33 ks after the GBM trigger and directionally consistent with the location of GRB 221009A, is hard to explain as a product of SSC or TeV electromagnetic cascades, and the process responsible for its origin is uncertain. Because of its proximity and energetic nature, GRB 221009A is an extremely rare event.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2024

Counterintuitive Trend of Intrusion Pressure with Temperature in the Hydrophobic Cu 2 (tebpz) MOF

Liquid porosimetry experiments reveal a peculiar trend of the intrusion pressure of water in hydrophobic Cu 2 (3,3',5,5'-tetraethyl-4,4'-bipyrazolate) MOF. At lower temperature (T) range, the intrusion pressure (P i ) increases with T. For higher T values, P i first reaches a maximum and then decreases. This is at odds with the Young–Laplace law, which for systems showing a continuous decrease of contact angle with T predicts a corresponding reduction of the intrusion pressure. Though the Young–Laplace law is not expected to provide quantitative predictions at the subnanoscale of Cu 2 (tebpz) pores, the physical intuition suggests that to a reduction of their hydrophobicity corresponds a reduction of the P i . Molecular dynamics simulations and sychrothron experiments allowed to clarify the mechanism of the peculiar trend of P i with T. At increasing temperatures the vapor density within the MOF’ pores grows significantly, bringing the corresponding partial pressure to ≈5 MPa. This pressure, which is consistent with the shift of P i observed in liquid porosimetry, represents a threshold to be overcame before intrusion takes place. Beyond some value of temperature, the phenomenon of reduction of hydrophobicity (and water surface tension) dominated over the opposite effect of increase of vapor pressure and P i inverts its trend with T.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

Physics-Informed Neural Networks for PDE-Constrained Optimization and Control

The goal of optimal control is to determine a sequence of inputs for maximizing or minimizing a given performance criterion subject to the dynamics and constraints of the system under observation. This work introduces Control Physics-Informed Neural Networks (PINNs), which simultaneously learn both the system states and the optimal control signal in a single-stage framework that leverages the system’s underlying physical laws. While prior approaches often follow a two-stage process-modeling, the system first and then devising its control—the presented novel framework embeds the necessary optimality conditions directly into the network architecture and loss function. We demonstrate the effectiveness of the novel methodology by solving various open-loop optimal control problems governed by analytical, one-dimensional, and two-dimensional partial differential equations (PDEs).

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2024

Unified understanding of the impact of semiflexibility, concentration, and molecular weight on macromolecular-scale ring diffusion

Conformationally fluctuating, globally compact macromolecules such as polymeric rings, single-chain nanoparticles, microgels, and many-arm stars display complex dynamic behaviors due to their rich topological structure and intermolecular organization. Synthetic rings are hybrid objects with conformations that display both ideal random walk and compact globular features, which can serve as models of genomic DNA. To date, emphasis has been placed on the effect of ring molecular weight on their unusual behaviors. Here, we combine simulations and a microscopic force-level theory to build a unified understanding for how key aspects of ring dynamics depend on different tunable molecular properties including backbone rigidity, monomer concentration, degree of traditional entanglement, and molecular weight. Our large-scale molecular dynamics simulations of ring melts with very different backbone stiffnesses reveal unanticipated behaviors which agree well with our generalized theory. This includes a universal master curve for center-of-mass diffusion constants as a function of molecular weight scaled by a chemistry and thermodynamic state-dependent critical molecular weight that generalizes the concept of an entanglement cross-over for linear chains. The key physics is how backbone rigidity and monomer concentration induced changes of the entanglement length, interring packing, degree of interpenetration, and liquid compressibility slow down space-time dynamic-force correlations on macromolecular scales. A power law decay of the center-of-mass diffusion constant with inverse molecular weight squared is the first consequence, followed by an ultraslow activated hopping transport regime. Our results set the stage to address slow dynamics and kinetic arrest in different families of compact synthetic and biological polymeric systems.

Science & Technology - Other Topics↗
DOE OSTI2025

Lens Modeling of STRIDES Strongly Lensed Quasars Using Neural Posterior Estimation

Strongly lensed quasars can be used to constrain cosmological parameters through time-delay cosmography. Models of the lens masses are a necessary component of this analysis. To enable time-delay cosmography from a sample of $\mathcal{O}(10^3)$ lenses, which will soon become available from surveys like the Rubin Observatory’s Legacy Survey of Space and Time and the Euclid Wide Survey, we require fast and standardizable modeling techniques. To address this need, we apply neural posterior estimation (NPE) for modeling galaxy-scale strongly lensed quasars from the Strong Lensing Insights into the Dark Energy Survey (STRIDES) sample. NPE brings two advantages: speed and the ability to implicitly marginalize over nuisance parameters. We extend this method by employing sequential NPE to increase precision of mass model posteriors. We then fold individual lens models into a hierarchical Bayesian inference to recover the population distribution of lens mass parameters, accounting for out-of-distribution shift. After verifying our method using simulated analogs of the STRIDES lens sample, we apply our method to 14 Hubble Space Telescope single-filter observations. We find the population mean of the power-law elliptical mass distribution slope, γ lens , to be $\mathcal{M}_γ$ lens = 2.13 ± 0.06. Our result represents the first population-level constraint for these systems. This population-level inference from fully automated modeling is an important stepping stone toward cosmological inference with large samples of strongly lensed quasars.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2024

Gender Mainstreaming in Nuclear Security: Strategies for Incorporating Gender Equality by Design in the IAEA Milestones Approach

Gender mainstreaming has emerged as a critical mechanism towards achieving gender equality in the development and implementation of laws, policies, and programs, including those related to national security. Gender mainstreaming is generally defined as the process of assessing the implications for women and men of any planned action, including legislation, policies, and programs, in all areas and at all levels, with the ultimate goal to achieve gender equality. Gender mainstreaming, which in essence can be thought of as “gender equality by design,” is an important element for building a robust nuclear security infrastructure. To date, however, gender mainstreaming has not been fully operationalized in the nuclear sector. For instance, the IAEA Milestones Approach, which provides important guidance to states seeking to develop nuclear power programs, has not yet incorporated or addressed gender considerations in its various phases or nuclear infrastructure issues, including those related to nuclear security. Therefore, this paper will argue that specifically for nuclear newcomer states, gender mainstreaming could serve as a powerful tool to integrate gender considerations into the design of laws, policies, programs, and entities necessary to successfully implement a nuclear power program. The objective of this study is twofold: first, to explore the concept of gender mainstreaming and its relevance to nuclear security, and second, to identify how gender can be incorporated into the IAEA Milestones Approach. The paper will emphasize the importance of developing guidance for the IAEA and nuclear newcomer states on how gender considerations could be incorporated throughout the development of a nuclear security program.

Siserman-Gray, Ioana-Cristina↗
DOE OSTI2025

Near-ideal relaxed MHD in slab geometry

We investigate the solutions of the relaxed magnetohydrodynamic (MHD) model (RxMHD) of R. Dewar and Z. Qu. This model generalizes Taylor relaxation by including the ideal Ohm's law constraint using an augmented Lagrangian method, providing a pathway to extend the multi-region relaxed MHD (MRxMHD) model. We present the first numerical solution of the RxMHD model by Dewar and Qu, demonstrating that it is mathematically well-defined and computationally feasible for constructing MHD equilibria in slab geometry. We also show that a cross-field flow can exist without enforcing an arbitrary constraint on the angular momentum, as is done in the case of MRxMHD with flow. Our results also demonstrate the self-organization of fully relaxed regions during the optimization, which was an important motivation behind developing this model.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2025

X-Ray Polarization of the Magnetar 1E 1841−045

We report on IXPE and NuSTAR observations beginning 40 days after the 2024 outburst onset of magnetar 1E 1841−045, marking the first IXPE observation of a magnetar in an enhanced state. Our spectropolarimetric analysis indicates that both a blackbody (BB) plus double power-law (PL) and a double blackbody plus power-law spectral model fit the phase-averaged intensity data well, with a hard PL tail (Γ = 1.19 and 1.35, respectively) dominating above ≈5 keV. For the former model, we find the soft PL (the dominant component at soft energies) exhibits a polarization degree (PD) of ≈30% while the hard PL displays a PD of ≈40%. Similarly, the cool BB of the 2BB+PL model possesses a PD of ≈15% and a hard PL PD of ≈57%. For both models, each component has a polarization angle (PA) compatible with celestial north. Model-independent polarization analysis supports these results, wherein the PD increases from ≈15% to ≈70% in the 2–3 keV and 6–8 keV ranges, respectively, while the PA remains nearly constant. We find marginal evidence for phase-dependent variability of the polarization properties, namely a higher PD at phases coinciding with the hard X-ray pulse peak. We compare the hard X-ray PL to the expectation from resonant inverse Compton scattering (RICS) and secondary pair cascade synchrotron radiation from primary high-energy RICS photons; both present reasonable spectropolarimetric agreement with the data, albeit the latter does so more naturally. We suggest that the soft PL X-ray component may originate from a Comptonized corona in the inner magnetosphere.

79 ASTRONOMY AND ASTROPHYSICS↗