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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 361 records · Page 20
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DOE OSTI2025

Quarkonium Polarization Kinetic Equation from Open Quantum Systems and Effective Field Theories

Recent measurements of polarization phenomena in relativistic heavy ion collisions have aroused a great interest in understanding dynamical spin evolution of the QCD matter. In particular, the spin alignment signature of J/ψ has been recently observed in Pb-Pb collisions at LHC, which may infer nontrivial spin transport of quarkonia in quark gluon plasmas. Motivated by this, we study the spin-dependent in-medium dynamics of quarkonia by using the potential nonrelativistic QCD (pNRQCD) and the open quantum system framework. By applying the Markovian approximation and Wigner transformation, we systematically derive the Boltzmann transport equation for vector quarkonia with polarization dependence in the quantum optical limit. As opposed to the previous study for the spin-independent case where the collision terms depend on chromoelectric correlators, the new kinetic equation incorporates gauge invariant correlators of chromomagnetic fields that determine the recombination and dissociation terms with polarization dependence at the order we are working in the multipole expansion. In the quantum Brownian motion limit, the Lindblad equation with new transport coefficients defined in terms of the chromomagnetic field correlators have also been derived. Our formalism is generic and valid for both weakly-coupled and strongly-coupled quark gluon plasmas. It may be further applied to study spin alignment of vector quarkonia in heavy ion collisions.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2022

Euler-Rodrigues Parameters: A Quantum Circuit to Calculate Rigid-Body Rotations

The use of vectorial parameterization to create geometrical representations in computational models has a large number of applications. One particular application is the calculation of the 3D rotational motion of rigid bodies, that could be used for the spatial location estimation from objects. Provided the algebraic nature of this problem, it could benefit from Quantum Computing, in particular several vectors could be superposed to be transformed with a single operation, providing a quantum processing advantage. In this article, we propose an implementation of a Quantum Computing algorithm to compute Euler-Rodrigues Parameters to model rigid body rotations to transform arbitrary functions, rotating multiple vectors in superposition. We developed this algorithm using Qiskit, taking into account the limitations imposed by the current Noisy Intermediate Scale Quantum (NISQ) devices, such as the reduced number of qubits available and the limited coherence time.

Pelaez, Emilio↗
DOE OSTI2021

Modeling and analyzing parasitic parameters in high frequency converters

This research focuses on electromagnetic interference (EMI) / electromagnetic compatibility (EMC) design and analysis in power electronics systems. To limit the EMI under the standards, different methods and strategies are investigated. Parasitic parameters of high frequency (HF) transformer are analyzed using a novel analytical method, finite element method (FEM), and experimental measurements for different structures and windings arrangements. Also, the magnetic field, electric field, electric displacement, and electric potential distribution are simulated and analyzed. Moreover, a high voltage system is considered and analyzed to improve the EMC. The EMI propagation paths are analyzed. The EMI noise level of the system is obtained and compared to the IEC61800-3 standard. To improve the EMC, the parasitic parameters of the transformer, as the main path of EMI circulation, are analyzed and optimized to block the propagation. Furthermore, the geometry structure of the HF transformer is optimized to lower the parasitics in the system. Three pareto-optimal techniques are investigated for the optimization. The models and results are verified by 3D-FEM and experimental results for several given scenarios. Furthermore, the EMC modeling and conducted EMI analysis are developed for a system including an AC-DC-DC power supply (rectifier and dual active bridge (DAB) converter). Moreover, the common mode (CM) EMI noise propagation through the system is discussed and the noise sources and effect of components on the noise are analyzed. Additionally, the CM impedance of different parts of the system and the noise levels are discussed. Finally, EMI attenuation techniques were applied to the system.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2023

Accurate real space iterative reconstruction (RESIRE) algorithm for tomography

Tomography has made a revolutionary impact on the physical, biological and medical sciences. The mathematical foundation of tomography is to reconstruct a three-dimensional (3D) object from a set of two-dimensional (2D) projections. As the number of projections that can be measured from a sample is usually limited by the tolerable radiation dose and/or the geometric constraint on the tilt range, a main challenge in tomography is to achieve the best possible 3D reconstruction from a limited number of projections with noise. Over the years, a number of tomographic reconstruction methods have been developed including direct inversion, real-space, and Fourier-based iterative algorithms. Here, we report the development of a real-space iterative reconstruction (RESIRE) algorithm for accurate tomographic reconstruction. RESIRE iterates between the update of a reconstructed 3D object and the measured projections using a forward and back projection step. The forward projection step is implemented by the Fourier slice theorem or the Radon transform, and the back projection step by a linear transformation. Our numerical and experimental results demonstrate that RESIRE performs more accurate 3D reconstructions than other existing tomographic algorithms, when there are a limited number of projections with noise. Furthermore, RESIRE can be used to reconstruct the 3D structure of extended objects as demonstrated by the determination of the 3D atomic structure of an amorphous Ta thin film. We expect that RESIRE can be widely employed in the tomography applications in different fields. Finally, to make the method accessible to the general user community, the MATLAB source code of RESIRE and all the simulated and experimental data are available at https://zenodo.org/record/7273314.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2021

Expanding the application of a UV-visible reporter for transient gene expression and stable transformation in plants

Abstract Green fluorescent protein (GFP) has been widely used for monitoring gene expression and protein localization in diverse organisms. However, highly sensitive imaging equipment, like fluorescence microscope, is usually required for the visualization of GFP, limitings its application to fixed locations in samples. A reporter that can be visualized in real-time regardless the shape, size and location of the target samples will increase the flexibility and efficiency of research work. Here, we report the application of a GFP-like protein, called eYGFPuv, in both transient expression and stable transformation, in two herbaceous plant species ( Arabidopsis and tobacco) and two woody plant species (poplar and citrus). We observed bright fluorescence under UV light in all of the four plant species without any effects on plant growth or development. eYGFPuv was shown to be effective for imaging transient expression in leaf and root tissues. With a focus on in vitro transformation, we demonstrated that the transgenic events expressing 1x eYGFPuv could be easily identified visually during the callus stage and the shoot stage, enabling early and efficient selection of transformants. Furthermore, whole-plant level visualization of eYGFPuv revealed its ubiquitous stability in transgenic plants. In addition, our transformation experiments showed that eYGFPuv can also be used to select transgenic plants without antibiotics. This work demonstrates the feasibility of utilizing 1x eYGFPuv in studies of gene expression and plant transformation in diverse plants.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2026

Towards Generalizable and Efficient Circuit Topology Design: A Graph-Transformer-based Surrogate Model with Curriculum Learning

Unlike circuit parameter and sizing optimizations, the automated design of analog circuit topologies poses significant challenges for learning-based approaches. One challenge arises from the combinatorial growth of the topology space with circuit size, which limits the topology optimization efficiency. Moreover, traditional circuit evaluation methods are time-consuming, while the presence of data discontinuity in the topology space makes the accurate prediction of circuit performance exceptionally difficult for unseen topologies. To tackle these challenges, we design a novel Graph-Transformer-based Network (GTN) as the surrogate model for circuit evaluation, offering a substantial acceleration in the speed of circuit topology optimization without sacrificing performance. Our GTN model architecture is designed to embed voltage changes in circuit loops and current flows in connected devices, enabling accurate performance predictions for circuits with unseen topologies. To address the cold start problem when scaling GTN to large-scale circuits, we further introduce a curriculum learning strategy that progressively trains GTN from small-scale to large-scale circuits. This approach enables the model to first learn fundamental physical principles from simpler topologies and gradually adapt to complex configurations, effectively bridging the circuit complexity gap and improving prediction accuracy. Taking the power converter circuit design as an experimental task, our GTN model significantly outperforms an analytical approach and baseline methods directly utilizing graph neural networks. Furthermore, GTN achieves less than 5% relative error and 196× speed-up compared with high-fidelity simulation. Notably, our GTN surrogate model empowers an automatic circuit design framework to discover circuits of comparable quality to those identified through high-fidelity simulation while reducing the time required by up to 98.2%. With curriculum learning, the enhanced GTN achieves a 51% improvement for performance prediction of large-scale circuits compared to the GTN model without this strategy. These advancements establish GTN as a scalable framework for automated analog circuit design across varying circuit complexity levels.

Lu, Haoshu [New Jersey Institute of Technology (NJ↗
DOE OSTI2021

External-Field-Induced Phase Transformation and Associated Properties in a Ni 50 Mn 34 Fe 3 In 13 Metamagnetic Shape Memory Wire

Metamagnetic shape memory alloys exhibit a series of intriguing multifunctional properties and have great potential for applications in magnetic actuation, sensing and magnetic refrigeration. However, the poor mechanical properties of these alloys with hardly any tensile deformability seriously limit their practical application. In the present work, we developed a Ni-Fe-Mn-In microwire that exhibits both a giant, tensile superelasticity and a magnetic-field-induced first-order phase transformation. The recoverable strain of superelasticity is more than 20% in the temperature range of 233–283 K, which is the highest recoverable strain reported heretofore in Ni-Mn-based shape memory alloys (SMAs). Moreover, the present microwire exhibits a large shape memory effect with a recoverable strain of up to 13.9% under the constant tensile stress of 225 MPa. As a result of the magnetic-field-induced first-order phase transformation, a large reversible magnetocaloric effect with an isothermal entropy change ΔS m of 15.1 J kg –1 K –1 for a field change from 0.2 T to 5 T was achieved in this microwire. The realization of both magnetic-field and tensile-stress-induced transformations confers on this microwire great potential for application in miniature multi-functional devices and provides an opportunity for multi-functional property optimization under coupled multiple fields.

36 MATERIALS SCIENCE↗
DOE OSTI2023

A 50 kA Superconducting Transformer for the Upcoming High-Field High-Current Testing Station at the BNL

Brookhaven national laboratory is upgrading its existing user facility to support R&D for High Energy Physics (HEP) and Fusion Energy Sciences (FES). The goal of this upgrade is to host the testing of the superconducting cables, conductors, joints and insert coils under high magnetic field (10 T), with currents up to 50 kA (present limit 20 kA) and at temperatures varying from 4 K to 40 K. To provide a current up to 50 kA to the sample, a superconducting core-less transformer is under construction. The superconducting transformer would additionally reduce the heat loss at the current leads at high currents. The SC transformer consists of two coaxial coils. The primary coil is inside the secondary coil. The primary coil consists of 3048 turns of rectangular wires (1.91 mm x 1.27 mm), wound in 24 layers. The secondary coil consists of 13 turns of the secondary cable (18.35 mm x 5.96 mm), wound in one layer. The parameters of the transformer are chosen to satisfy the space restrictions while using the available conductor. Here this paper presents the design of the 50-kA transformer.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2025

Synchro-Waveform-Based Event Identification Using Multi-Task Time-Frequency Transform Networks

Influenced by the transient dynamics and reduced inertia characteristics of high-penetration renewable energy systems, power system events frequently exhibit distinct characteristics such as high-frequency components including wide-band oscillations and hyper-harmonics. This makes standard systems face challenges including significant latency and reduced accuracy due to limited data resolution. However, current methods face significant limitations, including insufficient pattern capture ability, low noise immunity, limited feature learning, and restricted localization capabilities, thereby hindering real-time performance. To tackle this issue, this paper proposed a novel synchro-waveform-based event identification approach via a Multi-task Time-frequency Transform Network (MTTNet). Initially, a Time-frequency Transform Block (TTB) is developed to extract both local and global information. The TTB leverages both Fourier and S-transforms to derive comprehensive time-frequency information from synchro-waveforms. Subsequently, a multi-task learning strategy is employed to identify the type and distinguish localization of events. Integrating the TTB and multi-task learning, the MTTNet is designed for synchro-waveform-based event identification, incorporating an adaptive weighting strategy and simplified computation for the S-transform. Two different datasets, comprising simulated and actual synchro-waveforms, are collected from the IEEE 123 bus system and a real-world high-penetration renewable energy system using a universal grid analyzer. Extensive experiments on various conditions are carried out. In conclusion, results demonstrated that the MTTNet consistently surpasses both basic and advanced baselines, with maximum improvements of 13.24% and 9.86%, respectively, while reducing the calculation burden by 15-19 times to achieve real-time event identification.

Event identification↗
DOE OSTI2020

Phase Transformation of Thermally Aged and Neutron Irradiated Duplex Stainless Steel Used in LWRs. Final report

The lifetime of reactor components made of duplex stainless steels can be limited by the embrittlement from thermal aging, neutron irradiation or a synergistic effect between thermal aging and neutron irradiation. There is still a large scientific knowledge gap in understanding the phase evolution in duplex stainless steels upon thermal aging with or without neutron irradiation, the synergistic effect between thermal aging and neutron irradiation, and the impacts of structural evolution on material mechanical responses. In this project, totally, five major tasks were completed through this project: a) the in-situ WAXS tensile tests of thermally aged cast duplex stainless steels, b) the EXAFS investigation of thermally aged cast austenitic stainless steel and welds of austenite sainless steel, c) the characterization of irradiation effect on neutron irradiated CASS using APT, d) characterize the ferrite hardening of neutron irradiated CASS using nanoindentation, and e) the FEM modelling to validate the in-situ WAXS tensile tests and to simulate the stress/strain distribution during deformation for thermally aged duplex stainless steel. In summary, the thermal aging without neutron irradiation can significantly increase the strength of ferrite phase through the spinodal decomposition and G-phase precipitations. The in-situ X-ray experiments show that the hardening effect in ferrite phase can significantly alter the load partition between the ferrite and austenite phases. Atom probe tomography characterizations on samples irradiated to 0.08, 3, 5, 10, 20, and 40 dpa shows that neutron irradiation has dominated the microstructural evolution after 3 dpa, and the spinodal decomposition has saturated yet even at 40 dpa based on the quantified wavelength and amplitude.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2025

High-emissivity, thermally robust emitters for high power density thermophotovoltaics

Thermal radiative energy transport is essential for high-temperature energy harvesting technologies, including thermophotovoltaics (TPVs) and grid-scale thermal energy storage. However, the inherently low emissivity of conventional high-temperature materials constrains radiative energy transfer, thereby limiting system performance and technoeconomic viability. Here, in this study, we demonstrate ultrafast femtosecond laser-material interactions to transform diverse materials into near-blackbody surfaces with broadband spectral emissivity above 0.96. This enhancement arises from hierarchically engineered light-trapping microstructures enriched with nanoscale features, effectively decoupling surface optical properties from bulk thermomechanical properties. These laser-blackened surfaces (LaBS) exhibit exceptional thermal stability, retaining high emissivity for over 100 h at temperatures exceeding 1,000°C, even in oxidizing environments. When applied as TPV thermal emitters, Ta LaBS double electrical power output from 2.19 to 4.10 W cm −2 at 2,200°C while sustaining TPV conversion efficiencies above 30%. This versatile, largely material-independent technique offers a scalable and economically viable pathway to enhance emissivity for advanced thermal energy applications.

laser-blackened surfaces↗
DOE OSTI2024

Annotation of DOM metabolomes with an ultrahigh resolution mass spectrometry molecular formula library

Current approaches to analyzing metabolomic data often rely on matching MS/MS fragmentation data to sparse libraries or databases. This approach results in limited identification of features, often with less than 10% of the dataset being annotated. A complementary approach is to assign molecular formula to features based on accurate mass measurements, but the platforms commonly used for metabolomics do not have the needed accuracy or resolving power to do this robustly, particularly for larger molecules. Using our newly modified analysis tool, CoreMS, we generated a library of molecular formula from pooled samples analyzed with LC-21T FT-ICR MS. This library successfully annotated approximately 53.2% of features identified from the exometabolome of marine diatom Phaeodactylum tricornutum – a nearly ten-fold increase over the 5.9% annotation rate achieved using a conventional MS/MS library matching approach. Using this FT-ICR MS library approach, we were able to differentiate differences in the exometabolome of P. tricornutum in iron replete and iron limited conditions, with 668 metabolites being differentially expressed (p < 0.05, 2 x intensity difference) under these conditions. The traditional MS/MS fragmentation-based annotation approach only annotated 61 of these metabolites, while our novel pipeline annotated 450 metabolites and revealed 12 metabolites that were significantly more abundant under low iron conditions. Our results demonstrate the utility of ultrahigh resolution mass spectrometry for generating more comprehensive and confident molecular annotations.

21T-FTICR-MS, CoreMS↗
DOE OSTI2026

Beyond the eutectic paradigm: nanolamellar patterns in a rapidly solidified peritectic alloy

Peritectic transformations are central to many structural alloys, yet pattern formation remains poorly understood due to complex growth dynamics and limited three-dimensional data. Here, we report an unusual two-phase microstructure in a Zn–Ag peritectic alloy subjected to rapid solidification by laser surface remelting. Synchrotron X-ray nanotomography reveals a lamellar structure of primary 𝜀-AgZn 3 and peritectic Zn with ∼700 nm spacing. Although resembling a eutectic morphology, this pattern forms without a eutectic reaction through non-steady coupled growth from the liquid. SEM and TEM-EDS confirm interface shapes and phase compositions. These findings expand the design space of peritectics for refined microstructural control.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Rapid solidified ductile Cu-Al-Mn ribbon and its elastocaloric potential

Abstract Cu-Al-Mn alloys display martensitic transformation over a wide range of temperatures. In addition to low cost, this alloy is known for its low transformation stress with reasonable latent heat favoring elastocaloric applications. However, the ductility of Cu-Al-Mn can be limited owing to ordering and intergranular fracture. Through rapid solidification by melt spinning, we show that Cu-Al-Mn ribbon can be made highly ductile (greater than 8% tensile strain in the as-spun state and 10% tensile strain after heat treatment). The ductility of the melt-spun ribbon is related to the suppression of L2 1 ordering that is characterized through magnetic property measurement. Heat treatment of the ribbon promotes bamboo grain formation, and the latent heat is increased to 6.4 J g −1 . Under tensile conditions, we show that the ribbon exhibited about 4 °C temperature change (4.4 °C on heating and 4.2 °C on cooling from 6.3% strain).

36 MATERIALS SCIENCE↗
DOE OSTI2026

FFTSF: Revisiting Sub-Seasonal Streamflow Forecasting with Simple Feedforward Network

Accurate short-to-subseasonal streamflow forecasts are vital for water management, including flood preparedness, drought mitigation, hydropower scheduling, and ecosystem protection. However, extending a forecast beyond a few days remains challenging due to complexity of hydrological processes. While recent self-attention based transformer architectures such as iTransformer have gained traction in time-series forecasting, these models suffer from several critical limitations: (1) significant computational overhead that scales quadratically with sequence length, (2) vulnerability to overfitting on limited hydrological datasets, (3) degraded performance on long-horizon forecasts due to attention decay, and (4) excessive architectural complexity that hampers interpretability and operational deployment. In this study, we propose a simple Feedforward Time Series Forecasting (FFTSF) network that directly addresses these limitations through its lightweight architecture and long-range forecasting capabilities. We evaluate FFTSF across 178 USGS stream gauges spanning diverse climate regimes by forecasting lead times of 1-, 7-, 14-, and 30-days. Our results demonstrate that FFTSF achieves competitive performance at short lead times (NSE of 0.778 for 1-day forecasts) while substantially outperforming complex baselines at longer forecast period, achieving the highest NSE (0.271) at 30-day forecasts with greater robustness and stability. For 30-day forecasts, FFTSF achieves a 71% improvement over NLinear, 57% improvement over DLinear and 12% improvement over the computationally intensive iTransformer while requiring fewer computational resources. Our findings reveal that architectural complexity is not necessary for hydrological forecasting, demonstrating that well-designed simple models can outperform attention mechanisms for subseasonal streamflow forecasting. The computational efficiency and consistent long-range performance of FFTSF make it suitable for water management applications where reliable extended forecasts are essential.

Krishnan Kutty Ambika, Anukesh [ORNL] (ORCID:00000↗
DOE OSTI2024

The Catabolism of Lignin-Derived p-Methoxylated Aromatic Compounds by Rhodococcus jostii RHA1

Emergent strategies to valorize lignin, an abundant but underutilized aromatic biopolymer, include tandem processes that integrate chemical depolymerization and biological catalysis. To date, aromatic monomers from C-O bond cleavage of lignin have been converted to bioproducts, but the presence of recalcitrant C-C bonds in lignin limits the product yield. A promising chemocatalytic strategy that overcomes this limitation involves phenol methyl protection and autoxidation. Incorporating this into a tandem process requires microbial cell factories able to transform the p-methoxylated products in the resulting methylated lignin stream. In this study, we assessed the ability of Rhodococcus jostii RHA1 to catabolize the major aromatic products in a methylated lignin stream and elucidated the pathways responsible for this catabolism. RHA1 grew on a methylated pine lignin stream, catabolizing the major aromatic monomers: p-methoxybenzoate (p-MBA), veratrate, and veratraldehyde. Bioinformatic analyses suggested that a cytochrome P450, PbdA, and its cognate reductase, PbdB, are involved in p-MBA catabolism. Gene deletion studies established that both pbdA and pbdB are essential for growth on p-MBA and several derivatives. Furthermore, a deletion mutant of a candidate p-hydroxybenzoate (p-HBA) hydroxylase, ..delta..pobA, did not grow on p-HBA. Veratraldehyde and veratrate catabolism required both vanillin dehydrogenase (Vdh) and vanillate O-demethylase (VanAB), revealing previously unknown roles of these enzymes. Finally, a ..delta..pcaL strain grew on neither p-MBA nor veratrate, indicating they are catabolized through the ..beta..-ketoadipate pathway. This study expands our understanding of the bacterial catabolism of aromatic compounds and facilitates the development of biocatalysts for lignin valorization.

aromatic biopolymers↗
DOE OSTI2022

Dynamics of the gold–silicon eutectic reaction studied at limited length scales using in situ $\mathrm{TEM}$ and $\mathrm{STEM}$

We report the dynamics of the gold–silicon eutectic reaction in limited dimensions were studied using in situ transmission electron microscopy and scanning transmission electron microscopy heating experiments. The phase transformation, viewed in both plan-view and cross-section of the film, occurs through a complex combination of dislocation and grain boundary motion and diffusion of silicon along gold grain boundaries, which results in a dramatic change in the microstructure of the film. The conversion observed in cross-section shows that the eutectic mixture forms at the Au–Si interface and proceeds into the Au film at a discontinuous growth rate. This complex process can lead to a variety of microstructures depending on sample geometry, heating temperature, and the ratio of gold to silicon which was found to have the largest impact on the eutectic microstructure. The eutectic morphology varied from dendrites to hollow rectangular structures to Au–Si eutectic agglomerates with increasing silicon to gold ratio.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Development of theory and experimental operational framework for Coherent Thomson Scattering (Final Technical Report)

The research carried out explored and proved the feasibility and operational framework of a new diagnostic technique termed Coherent Thomson Scattering (CTS) for electrons in a low temperature plasma. The work is performed in collaboration with the Princeton Collaborative Research Facility (PCRF) at Princeton Plasma Physics Laboratory. The novel technique builds on an established and demonstrated single shot diagnostic method, called Coherent Rayleigh-Brillouin scattering, which has successfully been applied in neutral flows. The proposed novel four wave mixing diagnostic technique of CTS will allow for higher spatial resolution and lower detectable number densities for the electrons than conventional Thomson scattering. In this project we developed the theoretical framework for Coherent Thomson Scattering as well as the specification of the appropriate operational experimental parameters for successful CTS implementation in e.g. a low temperature plasma. Additionally, the mode of operation and the detection limits for a practical CTS experimental demonstration were explored. Ultimately, successful experimental demonstration of CTS can be seen as transformative in a multitude of plasma physics areas, since it will allow for detailed, non-perturbative measurements of electron density and temperature, previously unattainable by other measurement techniques. This project was the first successful step towards this direction.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗