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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 271 records · Page 15
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Analysis of fusion alphas interaction with RF waves in D-T plasma at JET

This work studies the influence of RF waves in ICRH range of frequency on fusion alphas during the recent JET D-T campaign. Fusion alphas from D-T reactions are born with energies of about 3.5MeV and therefore have significant Doppler shift enabling synergistic interaction between them and RF waves at broad range of frequencies including the ones foreseen for future fusion machines ITER and SPARC. Resonant interaction between RF waves and alphas, also called synergistic effects, will modify the alpha distribution and ultimately will have an impact on alpha orbit losses and heating. Data from JET 3.43T/2.3MA pulses based on the hybrid scenario during the DTE2 campaign were used for the analysis in this study. The impact of synergistic effects on alpha orbit losses and alpha heating is assessed. Conclusions are based on analysis of experimental data for fast alphas losses, i.e. measurements from neutral particle analyser, fast ion losses scintillator detector, Faraday cups, and TRANSP simulations. Experimental data and TRANSP analysis indicate that there are indeed changes in the alphas' distribution function due to interaction with RF waves. Data from the scintillator detector and the Faraday cups were compared for pulses with and without ICRH power and versus cases with enhanced alpha losses due to MHD activities. The trends from these diagnostics consistently show no additional alpha losses due to interaction with RF waves. TRANSP predictions for the impact of the synergistic effects on alpha heating show up to 42% increase in alpha electron heating and up to 25% increase in alpha ion heating. These effects however become negligibly small, less than 1%, when alpha heating is compared to the total auxiliary hearting power in the investigated JET pulses.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2026

Electronic Layer Decoupling Driven by Density-Wave Order in La 4⁢ Ni 3 ⁢O 10

We probe the density-wave transition of the trilayer nickelate La 4⁢ Ni 3 ⁢O 10 with polarization-resolved infrared spectroscopy. The low-energy electrodynamics is strongly anisotropic, with metallic in-plane and insulating out-of-plane character. In the ordered phase, the anisotropy grows more than an order of magnitude as the out-of-plane conductivity is sharply suppressed. We interpret this enhancement as an effective electronic decoupling of the Ni-O layers driven by a spin-density-wave-induced redistribution of Ni−𝑑 𝑧 2 occupation within the trilayers. This electronic response is accompanied by clearly shifting and splitting out-of-plane phonons, compatible with a density-wave instability of electronic origin.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2025

Tracing Long-Lived Atomic Coherences Generated via Molecular Conical Intersections

Accessing coherences is key to fully understand and control ultrafast dynamics of complex quantum systems like molecules. Most photochemical processes are mediated by conical intersections, which generate coherences between electronic states in molecules. We show with accurate calculations performed on gas-phase methyl iodide that electronic coherences of spin-orbit-split states persist in atomic iodine after dissociation. Our simulation predicts a maximum magnitude of vibronic coherence in the molecular regime of 0.75% of the initially photoexcited state population. Upon dissociation, one-third of this coherence magnitude is transferred to a long-lived atomic coherence where vibrational decoherence can no longer occur. To trace these dynamics, we propose a tabletop experimental approach—heterodyned attosecond four-wave-mixing spectroscopy. This technique can temporally resolve small electronic coherence magnitudes and reconstruct the full complex coherence function via phase cycling. Hence, heterodyned attosecond four-wave-mixing spectroscopy leads the way to a complete understanding and optimal control of spin-orbit-coupled electronic states in photochemistry.

Chemical Physics↗
DOE OSTI2025

NCSU-iSSRL/WEC-Mobile-HLCD

High level co-design tools for the WEC-Mobile system. These tools use public MFWAM wave forecasts to generate joint distribution functions for likely system deployment sites and calculate feasible system dimensions using a dimensional analysis.

Alam, Minhazul [Univ. of Michigan, Ann Arbor, MI (↗
DOE OSTI2025

Shear-Wave Radiation Patterns from Explosive and Earthquake Sources in Scattering, Heterogeneous Media

Distinguishing whether a seismic event is an earthquake or an explosion is a core problem in explosion monitoring. For simplistic models, earthquakes produce a predictable S-wavefield based on their radiation pattern, while an explosion produces no S-wavefield. However, observations from nuclear tests show that explosions can produce significant S-wave energy on both horizontal components. We perform numerical experiments using SPECFEM to constrain when an S-wavefield generated from an explosion might differ from one produced by an earthquake. We generate the S-wavefield for our explosions by placing the source location within a small region consisting of large velocity heterogeneities. For the 2D cases investigated here, a crucial condition is that the size of the region of heterogeneities must be much smaller (approximately 1/12th) than the minimum wavelength of the wavefield for our simulation setups. We investigate both isotropic heterogeneities and anisotropic heterogeneities. Initial results demonstrate that the heterogeneous region lowers the P/S amplitude ratios of an explosion. The presence of strong anisotropic heterogeneities near the source can also produce an S-wavefield with similar amplitudes to the P-wavefield. Lastly, we show that S-wave polarization angles vary as a function of azimuth and distance for explosive sources in the presence of small-scale heterogeneities.

58 GEOSCIENCES↗
DOE OSTI2025

Nondestructive Evaluation of Concrete: Elastic Property Imaging Through Full-Waveform Inversion

Concrete is a vital material in construction—especially in the nuclear industry, where it is used in critical structures such as containment vessels. Over time, concrete can degrade due to harsh operational and environmental conditions, necessitating that its elastic properties be accurately evaluated to ensure structural integrity and safety. Traditional nondestructive evaluation methods such as ultrasound-based techniques often rely on simplifying assumptions that may not hold true for concrete. This paper presents an advanced ultrasound-based method that uses elastic full-waveform inversion (EFWI) to create detailed images of concrete’s mechanical properties. By accurately modeling wave behaviors such as scattering and reflection, we aim to overcome the limitations of conventional ultrasonic-based methods. In this work, the imaging problem involved reconstructing the various elastic properties of a heterogenous concrete block with three steel rebars embedded in it. The ultrasonic measurements were synthetically generated from multiple sources and receivers, and the reconstruction process was performed using a gradient-based optimization algorithm. Our approach leveraged EFWI to reconstruct high-resolution images of the pressure wave speed, shear wave speed, and density. Multiple misfit functions—including L2-norm, cross-correlation (CC), and L1-norm—combined with total variation (TV) regularization and parameter constraints using a Sigmoid function—were explored for the reconstruction. The results demonstrated that using the L1-norm misfit function in conjunction with TV regularization and Sigmoid constraints significantly improved the reconstruction quality in comparison to traditional methods. This approach provided clearer images with fewer artifacts and better captured background heterogeneity. Our findings highlight that, when properly designed, EFWI carries great potential for providing comprehensive, more accurate, and more reliable assessments of concrete conditions, as is crucial for the maintenance and safety of nuclear power plant structures.

97 - MATHEMATICS AND COMPUTING↗
DOE OSTI2025

Life Cycle Cost Analysis of Prestressed Concrete Poles Subjected to Wind, Surges, and Waves

Prestressed concrete (PC) poles are becoming popular choices to support coastal power transmission systems. However, the existing literature does not offer a detailed analysis of the effectiveness of PC poles in terms of long-term vulnerabilities and the direct and indirect costs. This is due to (1) lack of fragility models for PC poles and (2) lack of probabilistic wind, storm surge, and wave models in coastal settings. In this study, we address these gaps through a series of Monte Carlo simulations to estimate fragility of PC poles as a function of age and hazard (wind, surges, and waves) intensity, and the development of a probabilistic hazard model based on 10,000 years of synthetic tropical cyclone data. The probabilistic hazard model is used in conjunction with high-resolution hydrodynamic models to generate realizations of coastal wind, storm surges, and waves for the Louisiana and Mississippi coasts. A comprehensive life cycle cost analysis for a service life of 70 years considering direct and indirect losses is conducted to compare the performance of a transmission line located in Pascagoula, Mississippi, when wood poles are replaced by PC poles. Results showed that aging has a minor effect on the reliability of PC poles, highlighting the advantages of replacing wood poles with PC poles, especially in coastal areas. In addition, PC poles are significantly more cost-effective compared with wood poles over their life cycle, leading to an estimated saving of $11.55 million (68.17% reduction). The results of this study provide key insight to inform decision-making processes to keep the coastal power grids resilient and cost-effective against future storm hazards.

natural disasters↗
DOE OSTI2024

Assessing spin-density wave formation in La 3 Ni 2 O 7 from electronic structure calculations

Here, we employ correlated density-functional theory methods (DFT + Hubbard U) to investigate the spin-density wave state of the bilayer Ruddlesden-Popper (RP) nickelate La 3 Ni 2 O 7 which becomes superconducting under pressure. We predict that the ground state of this bilayer RP material has traits of both the double spin-stripe and the single spin-charge stripe phases proposed in the literature as it corresponds to in-plane up/up′/down/down′ diagonal stripes with up/down being high spin (formally Ni 2+ : d 8 ), and up′ /down′ being low spin (formally Ni 3+ : d 7 ). The main feature of this solution (that is insulating even at U = 0) is the dominant role of the d x 2 −y 2 bands around the Fermi level, which would become doped with the introduction of electrons via oxygen vacancies. In spite of the similarity with cuprates in terms of the dominant role of d x 2 −y 2 bands, some differences are apparent in the magnetic ground state of La 3 Ni 2 O 7 : the antiferromagnetic out-of-plane coupling within the bilayer (linked to the d z 2 orbitals forming a spin-singlet-like configuration) is found to be the dominant one while in-plane interactions are reduced due to the stripe order of the ground state. With pressure, this striped magnetic ground state remains similar in nature but the increase in bandwidth quickly transitions La 3 Ni 2 O 7 into a metallic state with all the activity close to the Fermi level involving, to a large extent, d x 2 −y 2 orbitals. This is reminiscent of the cuprates and may provide key insights into how superconductivity arises in this material under pressure.

LaBollita, Harrison↗
DOE OSTI2025

Improving the Quasi‐Biennial Oscillation via a Surrogate‐Accelerated Multi‐Objective Optimization

Accurate simulation of the quasi-biennial oscillation (QBO) is challenging due to uncertainties in representing convectively generated gravity waves. We develop an end-to-end uncertainty quantification workflow that calibrates these gravity wave processes in E3SM for a realistic QBO. Central to our approach is a domain knowledge-informed, compressed representation of high-dimensional spatio-temporal wind fields. By employing a parsimonious statistical model that learns the fundamental frequency from complex observations, we extract interpretable and physically meaningful quantities capturing key attributes. Building on this, we train a probabilistic surrogate model that approximates the fundamental characteristics of the QBO as functions of critical physics parameters governing gravity wave generation. Leveraging the Karhunen–Loève decomposition, our surrogate efficiently represents these characteristics as a set of orthogonal features, capturing cross-correlations among multiple physics quantities evaluated at different pressure levels and enabling rapid surrogate-based inference at a fraction of the computational cost of full-scale simulations. Finally, we analyze the inverse problem using a multi-objective approach. Our study reveals a tension between amplitude and period that constrains the QBO representation, precluding a single optimal solution. To navigate this, we quantify the bi-criteria trade-off and generate a set of Pareto optimal parameter values that balance the conflicting objectives. This integrated workflow improves the fidelity of QBO simulations and offers a versatile template for uncertainty quantification in complex geophysical models.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2025

Powering the Woods Hole X-Spar Buoy with Ocean Wave Energy—A Control Co-Design Feasibility Study

Despite its success in measuring air–sea exchange, the Woods Hole Oceanographic Institution’s (WHOI) X-Spar Buoy faces operational limitations due to energy constraints, motivating the integration of an energy harvesting apparatus to improve its deployment duration and capabilities. This work explores the feasibility of an augmented, self-powered system in two parts. Part 1 presents the collaborative design between X-Spar developers and wave energy researchers translating user needs into specific functional requirements. Based on requirements like desired power levels, deployability, survivability, and minimal interference with environmental data collection, unsuitable concepts are pre-eliminated from further feasibility study consideration. In part 2, we focus on one of the promising concepts: an internal rigid body wave energy converter. We apply control co-design methods to consider commercial of the shelf hardware components in the dynamic models and investigate the concept’s power conversion capabilities using linear 2-port wave-to-wire models with concurrently optimized control algorithms that are distinct for every considered hardware configuration. During this feasibility study we utilize two different control algorithms, the numerically optimal (but acausal) benchmark and the optimized damping feedback. We assess the sensitivity of average power to variations in drive-train friction, a parameter with high uncertainty, and analyze stroke limitations to ensure operational constraints are met. Our results indicate that a well-designed power take-off (PTO) system could significantly extend the WEC-Spar’s mission by providing additional electrical power without compromising data quality.

autonomous systems↗
DOE OSTI2024

Sublattice modulated superconductivity in the kagome Hubbard model

Here we identify a superconducting order featuring spatial pair modulations on the kagome lattice subject to onsite Hubbard U and nearest neighbor V interactions. Within our functional renormalization group analysis, this state appears with a concomitant d-wave superconducting (SC) instability at zero lattice momentum, where it distinguishes itself through intra-unit cell modulations of the pairing function thus breaking the discrete space group symmetry. The relative weight of the sublattice modulated superconductor (SMS) and d-wave SC is influenced by the absolute interaction strength and coupling ratio V/U. Parametrically adjacent to this domain at weak coupling, we find an intra-unit cell modulated vestigial charge density wave and an s-wave SC instability. Our study provides a microscopic setting and thorough description of this novel SMS arising within a translation symmetry broken background.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2025

Ab Initio Structures and Energetics of Hydrated Flat and Terrace-Step Surfaces of Forsterite (Mg 2 SiO 4 )

Forsterite (Mg 2 SiO 4 ), a model divalent metal silicate mineral, has been extensively studied in the context of mineral carbonation. Although dissolution is a key step in this process, the mechanisms by which forsterite dissolves under high CO 2 conditions remain poorly understood. Atomistic simulations could aid in exploring these mechanisms, but it is essential first to understand the structures and energetics of the relevant forsterite surfaces. We present an ab initio study of the structure and surface energy at 0 K of the flat $(010), (110), (001), (111), (021), (101)$ and $(120)$ faces of forsterite using the density functional PBE Hamiltonian and a plane-wave basis set. Dry surfaces became stabilized upon hydration through the formation of bonds between surface Mg and O from water, as well as by the formation of hydrogen bonds. According to surface energy values, the stability order of the hydrated forsterite faces was found to be $(120) < (101) < (021) < (111) < (001) < (110) < (010)$. We also investigated the energetics of the terrace-step $(0\bar{41})$ surface as a model site for forsterite dissolution. Among all the facets, the $(0\bar{41})$ surface is the least stable termination in water. Hydration of Mg atoms on the $(0\bar{41})$ surface increases their susceptibility to dissolution. The presence of a step and its hydration destabilizes the terraces, making step retreat more likely than a dissolution front advancing along the [010] direction. This research will support future simulations to investigate forsterite dissolution in water under CO 2 -rich conditions.

PBE Hamiltonian↗
DOE OSTI2025

Combined molecular and spin dynamics simulation of BCC iron with vacancy defects

Utilizing an atomistic computational model, which handles both translational and spin degrees of freedom, combined molecular and spin dynamics simulations have been performed to investigate the effect of vacancy defects on spin wave excitations in ferromagnetic iron. Fourier transforms of space- and time-displaced correlation functions yield the dynamic structure factor, providing characteristic frequencies and lifetimes of the spin wave modes. A comparison of the system with a 5% vacancy concentration with pure lattice data shows a decrease in frequency and a decrease in lifetime for all transverse spin wave excitations observed. In addition, the clearly defined transverse spin wave excitations are distorted with the introduction of vacancy defects, and we observe reduced excitation lifetimes due to increased magnon–magnon scattering. We observe further evidence of increased magnon–magnon scattering, as the peaks in the longitudinal spin wave spectrum become less distinct. Finally, similar impacts are observed in the vibrational subsystem, with a decrease in characteristic phonon frequency and flattening of lattice excitation signals due to vacancy defects.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2024

Modeling graphene sheet growth and dynamical matrix calculations using molecular dynamics

Molecular dynamics (MD) has been an incredibly useful tool to model physical processes that were synthesized experimentally but not fully understood. MD, through the use of semi-empirical inter-atomic potentials, has allowed understanding of different physical processes in materials science. Yet as well as providing useful insights into materials science, molecular dynamics has a wider range of usability. In this report, I will be detailing how MD can be used to study graphene formation from a carbon liquid which requires high temperatures and pressures. Beyond this, I will describe the usefulness of MD for understanding the physics for phonon transport quantum sensors. To do this, MD was employed to determine the dynamical matrix by treating atoms as coupled oscillators. An accurate understanding of the dynamical matrix of a system is required to calculate the non-equilibrium Green’s function used to describe the phonon transport within phonon wave-guides. I found that, across multiple pressures and temperatures, randomly placed carbon atoms will show evidence of pent-first formation with semi-empirical models. Density functional theory (DFT), on the other hand, was too computationally expensive to use for full scale MD simulations, but we have the possibility of training a machine learned interatomic potential to approximate DFT for carbon in the environments being studied for pent-first graphene sheet formation.

36 MATERIALS SCIENCE↗
DOE OSTI2026

Second-order wave excitation forces in WEC-Sim/MOST: Implementation, experimental validation, and code-to-code comparison

Accurate prediction of second-order hydrodynamic loads is essential for floating bodies, including floating offshore wind turbines, wave energy converters, and hybrid wind–wave platforms. These nonlinear effects, arising from both sum- and difference-frequency forcing, are critical for capturing key response characteristics but remain challenging to model efficiently. In this work, we extend the open-source Wave Energy Converter Simulator / MATLAB for Offshore Simulation Tool by implementing second-order wave excitation forces, supporting both the full Quadratic Transfer Function formulation and the Newman approximation. The full Quadratic Transfer Function method is used for all code-to-code comparisons and experimental validation, while the Newman approximation is provided as a computationally lighter alternative. To benchmark the new capability, we perform a code-to-code comparison with OpenFAST and OrcaFlex. We then validate the enhanced model using wave-tank measurements of a 1:96 scale DeepCwind semi-submersible, showing that second-order effects are required to reproduce platform motions. The implementation employs a computationally efficient pre-computation strategy for second-order wave excitation forces, reducing simulation cost while maintaining engineering accuracy. Overall, this work advances the tool as an open-source and versatile tool for modelling floating offshore renewable-energy systems requiring second-order hydrodynamic fidelity.

17 WIND ENERGY↗
DOE OSTI2025

Spontaneous magnon decays from nonrelativistic time-reversal symmetry breaking in altermagnets

Quasiparticles are central to condensed matter physics, but their stability can be undermined by quantum many-body interactions. Magnons, i.e., quasiparticles in quantum magnets, are particularly intriguing because their properties are governed by both real and spin space. While crystal symmetries may be low, spin interactions often remain approximately isotropic, limiting spontaneous magnon decay. Textbook wisdom holds that collinear Heisenberg magnets follow a dichotomy: ferromagnets host stable magnons, while antiferromagnetic magnons may decay depending on dispersion curvature. Up to now, relativistic spin-orbit coupling and noncollinear order that connect spin space to real space were shown to introduce more complex magnon instability mechanisms. Here, we show that even in nonrelativistic isotropic collinear systems, this conventional dichotomy is disrupted in altermagnets. Altermagnets, a newly identified class of collinear magnets, exhibit compensated spin order with nonrelativistic time-reversal symmetry breaking and even-parity band splitting. Using kinematic analysis, nonlinear spin-wave theory, and quantum simulations, we reveal that even weak band splitting opens a decay phase space, driving quasiparticle breakdown. Additionally, 𝑑-wave altermagnets form a rare “island of stability” at the Brillouin-zone center. Furthermore, our findings establish a quasiparticle stability trichotomy in collinear Heisenberg magnets and position altermagnets as a promising platform for unconventional spin dynamics.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2025

Improved guided-wave acoustic defect detection and localization in pipes under varying temperature conditions using deep learning

Early defect detection in pipelines is critical across industries, particularly in the oil and gas sector, where failures result in significant maintenance costs and operational disruptions. Acoustic guided-wave techniques are widely used for nondestructive evaluation of pipeline defects due to their long-distance propagation capability. However, environmental variations, sensitivity limitations, and complex signal interpretation challenges limit the effectiveness of traditional signal processing approaches with guided-wave signals. Recent advances in deep learning methods have demonstrated remarkable success in solving complex real-world problems in many fields. In particular, deep-learning-based signal processing holds substantial promise to overcome limitations and challenges of conventional signal processing. This study presents a deep learning framework for pipeline inspection using acoustic guided-wave signals under temperature varying environments. The proposed framework employs a dual-path one-dimensional convolutional autoencoder that combines defect detection, localization, and temperature prediction functions. The proposed system utilizes multi-mode and broadband acoustic waves with an optimized number of sensors that provide high accuracy while retaining practical simplicity. Experimental validation is performed on a carbon steel pipe. The results indicate exceptional defect detection accuracy and precise defect localization with a mean absolute error of 66 mm. The proposed technique also predicts the effective average temperature of the pipe with a mean absolute error of 0.2°C. Comparative analysis shows superior performance of the proposed method over a traditional method previously developed by the authors' team. These results highlight the potential of integrating deep learning methods into guided-wave pipeline inspection systems to improve reliability under varying environmental conditions.

42 ENGINEERING↗
DOE OSTI2026

Charge correlations and magnetoelastic coupling in intercalated transition metal dichalcogenides

The large van der Waals gap in transition metal dichalcogenides (TMDs) offers an avenue to tune the ground state of 2D materials through the intercalation of magnetic atoms. Here, we investigate the charge correlations in Fe 1/3 ⁢TaS 2 , Co 1/3 ⁢TaS 2 , and Fe 0.35 ⁢NbS 2 by combining angle-resolved photoemission spectroscopy (ARPES), x-ray scattering, magnetometry, and density functional theory (DFT). We find that, while short-range charge fluctuations develop in Ta-based compounds, Fe 0.35 ⁢NbS 2 exhibits long-range charge order which is strongly coupled with magnetic order and tunable by external magnetic field. Our electronic structure analysis reveals that intercalation reconstructs the Fermi surface via charge transfer and band renormalization, yet does not generate the nesting conditions compatible with the observed ordering vectors. Complementary phonon calculations further exclude a conventional electron-phonon origin of charge order. Together, these results establish magnetoelastic coupling as the dominant mechanism behind charge ordering in Fe 0.35 ⁢NbS 2 and highlight the contrasting role of Nb and Ta hosts in stabilizing correlated ground states in intercalated TMDs.

36 MATERIALS SCIENCE↗