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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 1,243 records · Page 69
All sourcesNASA NTRSDOE OSTI
DOE OSTI2026

Simulation budgeting for hybrid effective field theories

In this work, we forecast the number of, and requirements on, N-body simulations needed to train hybrid effective field theory (HEFT) emulators for a range of use cases, using a hybrid of HMcode and perturbation theory as a surrogate model. Our accuracy goals, determined with careful consideration of statistical and systematic uncertainties, are 1% accurate in the high-likelihood range of cosmological parameters, and 2% accurate over a broader parameter space volume for k < 1 h Mpc -1 and z < 3. Focusing in part on the 8-parameter w 0 w a CDM+ m ν cosmological model, we find that < 225 simulations are required to meet our error goals over our wide parameter space, including models with rapidly evolving dark energy, given our simulation and emulator recommendations. For a more restricted parameter space volume, as few as 80 simulations are sufficient. We additionally present simulation forecasts for example use cases, and make the code used in our analyses publicly available. These results offer practical guidance for efficient emulator design and simulation budgeting in future cosmological analyses.

cosmological parameters from LSS↗
DOE OSTI2021

A model investigation of the impact of lower hybrid wave scattering angle on current drive profile in EAST and Alcator C-Mod

Lower hybrid current drive (LHCD) is beneficial for developing a steady-state operation scenario in a tokamak. This paper conducts a modeling investigation to identify an optimum rotation angle of the initial lower hybrid perpendicular (to the background magnetic field $\overrightarrow{B}$) wavevector for best matching the experimental RF current profile. It is hypothesized that central RF power deposition widely observed in the present-day LHCD experiments arises from wave scattering by turbulence. In a standard model without considering such interactions, the predicted power deposition profile is generally broad with off-axis peaking, not in agreement with experimental observations. A heuristic approach is adopted by introducing a spectral broadening mechanism by modifying the initial orientation of the perpendicular wavevector. The ray-tracing/Fokker–Planck solver GENRAY/CQL3D is utilized within the python-based π-scope framework. A focus is given to identify the perpendicular wavenumber orientation angle with respect to the magnetic surface normal vector at the initial ray location. Our modeling study shows that rotating the perpendicular wavevector in such a way as to increase the initial poloidal component is effective in reproducing the centrally peaked current profile observed in normal shear plasmas on both EAST and C-Mod. These waves can readily be absorbed to the central plasma, which reduces the sensitivity of the power deposition profile to a slight change of the plasma condition. The same approach is also found to help broaden the off-axis power deposition profile in a reverse-shear EAST plasma, leading to a better agreement with the experiment. The results presented here suggest that spectral modification arising from edge density fluctuations in a tokamak may need to be considered in understanding wave propagation and absorption. A further experimental and theoretical/modeling study is vital as a reverse approach is adopted in this study. Finally, our work suggests that mitigation or control measures are critical for parasitic effects occurring on the first pass in a reactor regime.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2022

Generation and regulation of electromagnetic pulses induced by hybrid laser pulses interacting with solid targets

In inertial confinement fusion, electromagnetic pulses (EMPs) can be produced during high-power laser interacting with solid targets, which are intimately related to laser intensity and laser energy. In this study, EMPs generated by hybrid laser pulses coupling with targets are recorded and analyzed. The results indicate that a single picosecond laser gives birth to the most intense EMPs, but they are remarkably suppressed when a nanosecond laser-shooting target is triggered before the picosecond and femtosecond laser. One possible hypothesis is proposed based on x-rays inducing pre-ablation that generates pre-plasma at the surfaces of the picosecond target and femtosecond target, leading to a sharp drop both in the energy and number of the emitting hot electrons and protons. Here, the findings will deepen our understanding of the mechanism of EMPs' generation and will also open a new avenue to regulate EMPs by hybrid laser pulses.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2026

Advances in 3D transient plasma dynamics and control through MHD and hybrid fluid-kinetic simulations with JOREK

Transient phenomena and their control are of high relevance in magnetic confinement fusion plasmas to guarantee a stable and safe plasma operation. Interpretative simulations can maximize the insights gained from experiments on present machines and predictive simulations can help in the preparation of design, mitigation techniques and operational scenarios for future devices. In this article, we provide an overview of recent advances and novel scientific results obtained with the 3D non-linear hybrid fluid-kinetic code JOREK, covering physics of plasma transients from the core to the scrape-off layer (SOL) both for tokamak and stellarator devices. Substantial progress was made in the physics understanding, model validation with experiments and experiment interpretation, thus, giving confidence for predictions to devices like DTT, ITER and DEMO. The topics addressed comprise a wide range: the edge physics of new operation scenarios and edge localized mode suppression; major disruptions with a focus on runaway electrons and vertical displacement events as well as disruption mitigation by shattered pellet injection; the physics mechanisms and operational limits of the flux pumping regime for sawtooth control; MHD limits of stellarators and work towards incorporating advanced edge/SOL/exhaust dynamics; continuing improvements of the code for more efficient hybrid simulations on conventional and accelerated high performance computing architectures.

disruptions↗
DOE OSTI2024

A new hybrid gadolinium nanoparticles-loaded polymeric material for neutron detection in rare event searches

Experiments aimed at direct searches for WIMP dark matter require highly effective reduction of backgrounds and control of any residual radioactive contamination. In particular, neutrons interacting with atomic nuclei represent an important class of backgrounds due to the expected similarity of a WIMP-nucleon interaction, so that such experiments often feature a dedicated neutron detector surrounding the active target volume. In the context of the development of DarkSide-20k detector at INFN Gran Sasso National Laboratory (LNGS), several R&D projects were conceived and developed for the creation of a new hybrid material rich in both hydrogen and gadolinium nuclei to be employed as an essential element of the neutron detector. Thanks to its very high cross-section for neutron capture, gadolinium is one of the most widely used elements in neutron detectors, while the hydrogen-rich material is instrumental in efficiently moderating the neutrons. In this paper results from one of the R&Ds are presented. In this effort the new hybrid material was obtained as a poly(methyl methacrylate) (PMMA) matrix, loaded with gadolinium oxide in the form of nanoparticles. We describe its realization, including all phases of design, purification, construction, characterization, and determination of mechanical properties of the new material.

Dark Matter detectors (WIMPs, axions, etc.)↗
DOE OSTI2025

Rad-hard readout system for Timepix3 Hybrid Pixel Detectors

The Beam Gas Ionisation (BGI) profile monitor, located in the Proton Synchrotron (PS) and Super Proton Synchrotron (SPS) at CERN, requires a radiation-tolerant readout system to transfer data from the challenging accelerator surroundings to the back-end for processing. The system needs to control and acquire data from four Timepix3 Hybrid Pixel Detectors (HPDs) located directly inside the beam pipe, a highly radioactive environment. It must ensure reliability given limited hardware access and preserve signal integrity for the high-speed data (32 channels at 320 MHz). However, due to the unavailability of a suitable rad-hard Timepix3 readout, the Beam Instrumentation PiXeL (BIPXL) readout system was designed to meet these requirements. This system employs radiation-hardened components such as the GBTx and the FEASTMP, both developed at CERN. It will be compatible with forthcoming hybrid pixel detector initiatives in similarly harsh radiation conditions.

47 OTHER INSTRUMENTATION↗
DOE OSTI2020

Metallicity of 2H-MoS 2 induced by Au hybridization

Recent studies have shown that MoS 2 can undergo a structural phase transition from the 2H to 1T' phase on Au substrates at moderate temperatures. In this study, we use ultraviolet and x-ray photoelectron spectroscopy, Raman and photoluminescence spectroscopy, and scanning tunneling microscopy/spectroscopy to probe the impact of annealing exfoliated, monolayer MoS 2 on Au. Our results across multiple length scales indicate that 2H-MoS 2 becomes hybridized with Au upon thermal annealing without inducing the 1T' structural phase and the bandgap can be modulated to zero width depending on the degree of hybridization. These results can be used to control the resistance of metal-MoS 2 contacts at the atomic scale without introduction of defects or structural phase transitions and are important for devices such as memristors.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Studies and optimization of hybrid X-pinches

Studies were carried out on the hybrid X-pinch (HXP) configuration for several wire materials using a 40ns risetime, 300-kA pulsed-power generator with the goal of optimizing the HXP X-ray burst parameters for different applications. The gap distance between the conical electrodes of the hybrid X-pinch was varied from 0.5 to 5 mm for Al, Ag, Ti, and Mo using different wire diameters to maintain a consistent mass per unit length from one material to the next. It was found that 0.5 - 1 mm gap spacing was optimal to obtain a single X-ray burst, while the number of X-ray bursts increased with gap spacing for all materials at a rate of 1-2/mm. Time consistency studies of the first X-ray burst were carried out for Ti wire by changing the gap distance and wire diameter while observing the time of occurrence of the X-ray bursts. Here, it was found that a 40μm Ti wire load with a 3mm electrode gap spacing had the highest probability to have the first X-ray burst reproducibly within a 2 ns time window. Time-resolved and time-integrated diagnostics provided information about the source size, time of occurrence, intensity, and the number of the X-ray bursts.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2026

Enhancing dimensionality prediction in hybrid metal halides via feature engineering and class-imbalance mitigation

We present a machine learning (ML) framework for predicting the structural dimensionality of hybrid metal halides (HMHs), including organic-inorganic perovskites, using a combination of chemically-informed feature engineering and advanced class-imbalance handling techniques. This study is motivated by the small and highly imbalanced nature of experimentally available HMH datasets, which limits the applicability and reliability of conventional ML approaches. The dataset, consisting of 494 HMH structures, is highly imbalanced across dimensionality classes (0D, 1D, 2D, 3D), posing significant challenges to predictive modeling. To mitigate this limitation, the dataset was augmented to 1336 samples using the synthetic minority oversampling technique, enabling improved learning of underrepresented dimensionality classes while preserving chemically meaningful feature relationships. We developed interaction-based descriptors designed to capture coupled steric and polarity effects relevant to dimensionality prediction, which are not readily captured by standard single-parameter or composition-only descriptors. These descriptors are integrated into a multi-stage workflow combining feature selection, ensemble stacking, and performance optimization. Our approach significantly improves F1-scores for underrepresented classes, achieving robust cross-validation performance across all dimensionalities. This work demonstrates a generalizable strategy for extracting reliable and interpretable structure–dimensionality relationships from limited experimental data, enabling pre-synthesis screening of organic cations and providing a practical blueprint for small-data ML in hybrid materials systems.

36 MATERIALS SCIENCE↗
DOE OSTI2022

The first crystal structures of hybrid and parallel four-tetrad intramolecular G-quadruplexes

Abstract G-quadruplexes (GQs) are non-canonical DNA structures composed of stacks of stabilized G-tetrads. GQs play an important role in a variety of biological processes and may form at telomeres and oncogene promoters among other genomic locations. Here, we investigate nine variants of telomeric DNA from Tetrahymena thermophila with the repeat (TTGGGG)n. Biophysical data indicate that the sequences fold into stable four-tetrad GQs which adopt multiple conformations according to native PAGE. Excitingly, we solved the crystal structure of two variants, TET25 and TET26. The two variants differ by the presence of a 3′-T yet adopt different GQ conformations. TET25 forms a hybrid [3 + 1] GQ and exhibits a rare 5′-top snapback feature. Consequently, TET25 contains four loops: three lateral (TT, TT, and GTT) and one propeller (TT). TET26 folds into a parallel GQ with three TT propeller loops. To the best of our knowledge, TET25 and TET26 are the first reported hybrid and parallel four-tetrad unimolecular GQ structures. The results presented here expand the repertoire of available GQ structures and provide insight into the intricacy and plasticity of the 3D architecture adopted by telomeric repeats from T. thermophila and GQs in general.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2024

Interaction of N-methylmesoporphyrin IX with a hybrid left-/right-handed G-quadruplex motif from the promoter of the SLC2A1 gene

Abstract Left-handed G-quadruplexes (LHG4s) belong to a class of recently discovered noncanonical DNA structures under the larger umbrella of G-quadruplex DNAs (G4s). The biological relevance of these structures and their ability to be targeted with classical G4 ligands is underexplored. Here, we explore whether the putative LHG4 DNA sequence from the SLC2A1 oncogene promoter maintains its left-handed characteristics upon addition of nucleotides in the 5′- and 3′-direction from its genomic context. We also investigate whether this sequence interacts with a well-established G4 binder, N-methylmesoporphyrin IX (NMM). We employed biophysical and X-ray structural studies to address these questions. Our results indicate that the sequence d[G(TGG)3TGA(TGG)4] (termed here as SLC) adopts a two-subunit, four-tetrad hybrid left-/right-handed G4 (LH/RHG4) topology. Addition of 5′-G or 5′-GG abolishes the left-handed fold in one subunit, while the addition of 3′-C or 3′-CA maintains the original fold. X-ray crystal structure analyses show that SLC maintains the same hybrid LH/RHG4 fold in the solid state and that NMM stacks onto the right-handed subunit of SLC. NMM binds to SLC with a 1:1 stoichiometry and a moderate-to-tight binding constant of 15 μM−1. This work deepens our understanding of LHG4 structures and their binding with traditional G4 ligands.

Seth, Paul↗
DOE OSTI2019

Electron-hole hybridization in bilayer graphene

Band structure determines the motion of electrons in a solid, giving rise to exotic phenomena when properly engineered. Drawing an analogy between electrons and photons, artificially designed optical lattices indicate the possibility of a similar band modulation effect in graphene systems. Yet due to the fermionic nature of electrons, modulated electronic systems promise far richer categories of behaviors than those found in optical lattices. Here, we uncovered a strong modulation of electronic states in bilayer graphene subject to periodic potentials. We observed for the first time the hybridization of electron and hole sub-bands, resulting in local band gaps at both primary and secondary charge neutrality points. Such hybridization leads to the formation of flat bands, enabling the study of correlated effects in graphene systems. This work may provide a novel way to manipulate electronic states in layered systems, which is important to both fundamental research and application.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Multiplex knockout of trichome-regulating MYB duplicates in hybrid poplar using a single gRNA

As the focus for CRISPR/Cas-edited plants moves from proof-of-concept to real-world applications, precise gene manipulation will increasingly require concurrent multiplex editing for polygenic traits. A common approach for editing across multiple sites is to design one guide RNA (gRNA) per target; however, this complicates construct assembly and increases the possibility of off-target mutations. In this study, we utilized one gRNA to target MYB186, a known positive trichome regulator, as well as its paralogs MYB138 and MYB38 at a consensus site for mutagenesis in hybrid poplar (Populus tremula × P. alba INRA 717-1B4). Unexpected duplications of MYB186 and MYB138 resulted in eight alleles for the three targeted genes in the hybrid poplar. Deep sequencing and polymerase chain reaction analyses confirmed editing across all eight targets in nearly all of the resultant glabrous mutants, ranging from small indels to large genomic dropouts, with no off-target activity detected at four potential sites. This highlights the effectiveness of a single gRNA targeting conserved exonic regions for multiplex editing. Additionally, cuticular wax and whole-leaf analyses showed a complete absence of triterpenes in the trichomeless mutants, hinting at a previously undescribed role for the nonglandular trichomes of poplar.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2025

Variation in Flooding Tolerance in Populus deltoides ‘D-124’ and P. trichocarpa x P. deltoides Hybrid ‘52–225’

Flooding poses a substantial challenge to plant survival and productivity, particularly in riparian genus like Populus. This study examines the physiological, morphological, metabolic, and molecular responses of Populus deltoides ‘D-124’ and P. trichocarpa x P. deltoides hybrid clone ‘52–225’ under control and inundated conditions to identify differences in flooding tolerance. Under flooding conditions, physiological and cellular stress was more pronounced in P. deltoides ‘D-124’ than in the hybrid clone ‘52–225,’ as evidenced by lower transpiration (E), photosynthesis (A), and chlorophyll content. In contrast, ‘52–225’ showed reduced ROS accumulation suggesting better cellular function under stress. Morphologically, ‘52–225’ produced more shoot-born roots, which likely enhance oxygen transport and metabolic activity during flooding. Metabolite profiling revealed both overlapping and distinct patterns of sugar and amino acid accumulation between genotypes. Gene expression analysis revealed that flooding-responsive genes, including ALCOHOL DEHYDROGENASE 1 and HYPOXIA RESPONSIVE ERF 2, were activated in both genotypes, with a more pronounced response noted in ‘52–225.’ These findings extend our understanding of flooding tolerance mechanisms in Populus by connecting physiological traits, stress responses, and genetic regulation. This research contributes to the development of more flooding-resilient poplar varieties, with potential applications in breeding and restoration programs for flooding-prone environments.

Flooding stress↗
DOE OSTI2025

Dynamical phase transition in a strongly hybridized phonon-triplon chain

In this article, we study a dimerized spin-1/2 chain, such as CuGeO 3 , hosting triplon excitations coupled to optical phonons under weak terahertz laser driving. Both phonons and triplons weakly lose energy into the surrounding baths, forming a non-equilibrium steady state. In the strong phonon-triplon coupling regime, phonons near the two-triplon continuum hybridize strongly with triplons. Using mean-field Lindblad dynamics, we show that strong hybridization induces sharp first-order phase transitions—either single or simultaneous double—in the emission spectrum, mainly due to nonlinearities in the chain and the instantaneous breaking of spatial inversion symmetry, as captured by the phonon displacement. Using mean-field Floquet analysis of harmonic modes in both sectors, we analytically confirm the existence of these phase transitions. Furthermore, we map the complete steady-state phase diagram by varying key control parameters and provide experimentally relevant parameters for observing these transitions in laser-driven CuGeO 3 .

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2025

Anisotropic Thermal Transport in Quasi-2D Ruddlesden-Popper Hybrid Perovskite Superlattices

Two-dimensional hybrid metal-halide perovskites (2D-MHPs) have emerged as important solution-processed semiconductors with favorable optical and electronic properties for diverse applications in photovoltaics, optoelectronics, and spintronics. The quasi-2D layered structures, featuring large acoustic impedance mismatches between the organic and inorganic sublattices, are expected to result in distinct and anisotropic thermal transport properties along the cross-plane and in-plane directions. Here, we introduce transducer-free vibrational-pump-visible-probe (VPVP) approaches that enable accurate quantification of anisotropic thermal transport properties in various archetypical single-crystalline 2D-MHPs. Specifically, using VPVP spectroscopy and VPVP microscopy, we measure the anisotropic thermal diffusivities of 2D-MHPs with systematically varied Pb-I octahedral layer thicknesses, as well as organic spacer types and lengths, revealing how these structural parameters alter the cross-plane and in-plane thermal transport properties in distinct ways. While diffuse interface scattering plays an important role in dictating cross-plane thermal transport, in-plane thermal transport is primarily determined by phonon transport within interconnected inorganic layers. Density functional theory incorporating four-phonon scatterings provides further insight into the low thermal conductivity and modest thermal conduction anisotropy in 2D-MHPs. Our work demonstrates a new all-optical and noncontact method, which requires minimal sample preparation and allows direct visualization of cross-plane and in-plane thermal transport, potentially compatible with sample environments. The demonstrated VPVP approaches can advance understanding of thermal transport in 2D-MHPs as well as wide-ranging hybrid and polymeric semiconductors beyond 2D-MHPs.

36 MATERIALS SCIENCE↗
DOE OSTI2019

Suppression of hybridization by Cd doping in CeCoIn 5

The interaction between superconductivity and magnetism in heavy fermion compounds has remained a challenge ever since the discovery of unconventional superconductivity in such systems. The heavy fermion Ce T In 5 ( T = Co,Rh,Ir) family offers a good platform to study the relationship between superconductivity and magnetism, whose ground state can be easily tuned by chemical doping, making the ambient-pressure experimental techniques like angle-resolved photoemission spectroscopy possible to address this old but engaging question. By Cd doping, the superconducting state of CeCoIn 5 can be smoothly tuned to an antiferromagnetic ground state, which can be reversed by applying pressure. In this study, we present an electronic structure study of CeCo ( In 0.85 Cd 0.15 ) 5 with an antiferromagnetic ground state and the results are compared with CeCoIn 5 . We found that the hybridization strength between the f electrons and conduction electrons in CeCoIn 5 has been suppressed by Cd doping, but still the Fermi surface includes a significant contribution from the Ce f electrons. Our results find that the electronic tuning effect by Cd doping arises from the change in the hybridization strength between the Ce f electrons and conduction electrons caused by the Cd dopant, and the subtle interplay between itinerancy and localization of the f electrons determines the ground state.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2020

Hybridization effect on the x-ray absorption spectra for actinide materials: Application to PuB 4

Studying the local moment and 5 f -electron occupations sheds insight into the electronic behavior in actinide materials. X-ray absorption spectroscopy (XAS) has been a powerful tool to reveal the valence electronic structure when assisted with theoretical calculations. However, the analysis currently taken in the community on the branching ratio of the XAS spectra generally does not account for the hybridization effects between local f orbitals and conduction states. In this paper, we discuss an approach which employs the density functional theory plus Gutzwiller rotationally invariant slave boson method to obtain a local Hamiltonian for the single-impurity Anderson model, and calculates the XAS spectra by the exact diagonalization (ED) method. A customized numerical routine was implemented for the ED XAS part of the calculation. By applying this technique to the recently discovered 5 f -electron topological Kondo insulator Pu B 4 , we determined the signature of 5 f -electronic correlation effects in the theoretical x-ray spectra. Furthermore, we found that the Pu 5 f - 6 d hybridization effect provides an extra channel to mix the j = 5 / 2 and 7 / 2 orbitals in the 5 f valence. As a consequence, the resulting electron occupation number and spin-orbit coupling strength deviate from the intermediate-coupling regime.

36 MATERIALS SCIENCE↗