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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 451 records · Page 25
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Fermi-crossing Type-II Dirac fermions and topological surface states in NiTe 2

Transition-metal dichalcogenides (TMDs) offer an ideal platform to experimentally realize Dirac fermions. However, typically these exotic quasiparticles are located far away from the Fermi level, limiting the contribution of Dirac-like carriers to the transport properties. Here we show that NiTe 2 hosts both bulk Type-II Dirac points and topological surface states. The underlying mechanism is shared with other TMDs and based on the generic topological character of the Te p-orbital manifold. However, unique to NiTe 2 , a significant contribution of Ni d orbital states shifts the energy of the Type-II Dirac point close to the Fermi level. In addition, one of the topological surface states intersects the Fermi energy and exhibits a remarkably large spin splitting of 120 meV. Our results establish NiTe 2 as an exciting candidate for next-generation spintronics devices.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Sequential discontinuities of Feynman integrals and the monodromy group

We generalize the relation between discontinuities of scattering amplitudes and cut diagrams to cover sequential discontinuities (discontinuities of discontinuities) in arbitrary momentum channels. The new relations are derived using time-ordered perturbation theory, and hold at phase-space points where all cut momentum channels are simultaneously accessible. As part of this analysis, we explain how to compute sequential discontinuities as monodromies and explore the use of the monodromy group in characterizing the analytic properties of Feynman integrals. We carry out a number of cross-checks of our new formulas in polylogarithmic examples, in some cases to all loop orders.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2022

Focused Ion Beam Preparation of Low Melting Point Metals: Lessons Learned From Indium

Indium (In) and other low melting point metals are used as interconnects in a variety of hybridized circuits and a full understanding of the metallurgy of these interconnects is important to the reliability and performance of the devices. Here, this paper shows that room temperature focused ion beam (FIB) preparation of cross-sections, using Ga + or Xe + can result in artifacts that obscure the true In microbump structure. The use of modified milling strategies to minimize the increased local sample temperature are shown to produce cross-sections that are representative of the In bump microstructure in some sample configurations. Furthermore, cooling of the sample to cryogenic temperatures is shown to reliably eliminate artifacts in FIB prepared cross-sections of In bumps allowing the true bump microstructure to be observed.

36 MATERIALS SCIENCE↗
DOE OSTI2024

High performance power handling in the absence of an H-mode edge in negative triangularity DIII-D plasmas

Abstract Experiments performed during strongly-shaped high-power diverted negative triangularity (NT) experiments in DIII-D achieved detached divertor conditions and a transient-free edge, showcasing the potential for application of NT to a core-edge integrated reactor-like scenario and providing the first characterization of the parametric dependencies for detachment onset. Detached divertor conditions will be required in future devices to mitigate divertor heat fluxes. Access to dissipative divertor conditions was investigated via an increase in upstream density. Detachment onset at the outer strike point was achieved with H-mode level confinement H 98 − y 2 ∼ 1 and reactor-relevant normalized pressures β N ∼ 2 . Confinement degradation was observed with deeper detachment, associated with the loss of an electron temperature pedestal. Differences in geometry, radial transport, impact of cross field drifts are discussed to explain differences in access to detachment in NT discharges. Higher normalized densities, with respect to equivalent discharges in positive triangularity, were necessary to achieve detachment, partially explained by the shorter parallel connection length to the targets. The effect of cross-field particle drifts ( E × B , B × ∇ B ) on access to detachment was demonstrated by the lower upstream density needed to access detachment with ion B × ∇ B drift directed outside of the active divertor (Greenwald fraction f Gw ∼ 0.9–1.0 vs f Gw ∼ 1.3). The upstream density at detachment onset was observed to increase linearly with plasma current with ion B × ∇ B drift into the divertor, consistent with the observed narrowing of the scrape-off layer heat flux width λ q . Edge fluid simulations capture separatrix densities needed to achieve detachment in NT plasma and their dependence on drift direction. The ability to reproduce detachment dynamics in NT plasma increases the confidence in future design studies for NT divertors.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2024

Nodal fermions in the strongly spin-orbit coupled pyrochlore-lattice compound RbBi2

We explore the topological electronic band structure of the pyrochlore lattice in the strong spin-orbit coupling regime. Using angle-resolved photoemission spectroscopy, first-principles calculations, and symmetry analysis, we have investigated the bulk electronic structure of RbBi2, which has a Bi pyrochlore network. We observe the presence of 3D massless Dirac fermions enforced by nonsymmorphic symmetry, as well as a 3D quadratic band crossing protected by cubic crystalline symmetry. Furthermore, we identify an additional 3D linear Dirac dispersion associated with band inversion protected by threefold rotation symmetry. These observations reveal the rich band topology of itinerant pyrochlore lattice systems in the strong SOC limit and serve as a starting point to explore correlated topological phases in geometrically frustrated lattices.

Oh, Dongjin↗
DOE OSTI2023

Bringing 2D Eclipse Mapping out of the Shadows with Leave-one-out Cross Validation

Abstract Eclipse mapping is a technique for inferring 2D brightness maps of transiting exoplanets from the shape of an eclipse light curve. With JWST’s unmatched precision, eclipse mapping is now possible for a large number of exoplanets. However, eclipse mapping has only been applied to two planets, and the nuances of fitting eclipse maps are not yet fully understood. Here, we use Leave-one-out Cross Validation (LOO-CV) to investigate eclipse mapping, with application to a JWST NIRISS/SOSS observation of the ultrahot Jupiter WASP-18b. LOO-CV is a technique that provides insight into the out-of-sample predictive power of models on a data-point-by-data-point basis. We show that constraints on planetary brightness patterns behave as expected, with large-scale variations driven by the phase-curve variation in the light curve and smaller-scale structures constrained by the eclipse ingress and egress. For WASP-18b we show that the need for higher model complexity (smaller-scale features) is driven exclusively by the shape of the eclipse ingress and egress. We use LOO-CV to investigate the relationship between planetary brightness map components when mapping under a positive-flux constraint to better understand the need for complex models. Finally, we use LOO-CV to understand the degeneracy between the competing “hot spot” and “plateau” brightness map models of WASP-18b, showing that the plateau model is driven by the ingress shape and the hot spot model is driven by the egress shape, but preference for neither model is due to outliers or unmodeled signals. Based on this analysis, we make recommendations for the use of LOO-CV in future eclipse-mapping studies.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2020

Millimeter-wave Point Sources from the 2500 Square Degree SPT-SZ Survey: Catalog and Population Statistics

In this work, we present a catalog of emissive point sources detected in the SPT-SZ survey, a contiguous 2530- square-degree area surveyed with the South Pole Telescope (SPT) from 2008 - 2011 in three bands centered at 95, 150, and 220GHz. The catalog contains 4845 sources measured at a significance of 4.5σ or greater in at least one band, corresponding to detections above approximately 9.8, 5.8, and 20.4 mJy in 95, 150, and 220 GHz, respectively. Spectral behavior in the SPT bands is used for source classification into two populations based on the underlying physical mechanisms of compact, emissive sources that are bright at millimeter wavelengths: synchrotron radiation from active galactic nuclei and thermal emission from dust. The latter population includes a component of high-redshift sources often referred to as submillimeter galaxies (SMGs). In the relatively bright flux ranges probed by the survey, these sources are expected to be magnified by strong gravitational lensing. The survey also contains sources consistent with protoclusters, groups of dusty galaxies at high redshift undergoing collapse. We cross-match the SPT-SZ catalog with external catalogs at radio, infrared, and X-ray wavelengths and identify available redshift information. The catalog splits into 3980 synchrotron-dominated and 865 dust-dominated sources and we determine a list of 506 SMGs. Ten sources in the catalog are identified as stars. We calculate number counts for the full catalog, and synchrotron and dusty components, using a bootstrap method and compare our measured counts with models. This paper represents the third and final catalog of point sources in the SPT-SZ survey.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2021

Bulk Diffusion of Cl through O Vacancies in α-Cr 2 O 3 : A Density Functional Theory Study

Many metals form passive oxides which are broken or weakened by anionic-induced degradation leading to material failure and anionic diffusion is an important step of this degradation process. The diffusion of anionic species through oxides involves a combination of diffusion along grain boundaries, cracks, and channels, as well as bulk diffusion via point defects which is the focus of this study. Using density functional theory, we study bulk diffusion of Cl through O vacancies in α -Cr 2 O 3 as a model system for passive metal oxides. Little is known about Cl diffusion and bonding characteristics, so we benchmark our work through comparison to numerous studies on O diffusion in α -Cr 2 O 3 to analyze similarities and differences between the O and Cl diffusion in the passivation and degradation process of α -Cr 2 O 3 respectively. Unlike O diffusion, the lowest diffusion barrier for Cl is cross-plane diffusion between two (0001) planes through a vacant cation site but the much shorter in-plane diffusion path within the same coordination polyhedron has 35% higher barrier. This work provides the basis for considering the contributions of Cl bulk-diffusion in the overall diffusion kinetics of Cl through α -Cr 2 O 3 .

Oware Sarfo, Kofi↗
DOE OSTI2023

Impact of Thermal Scattering Law on Similarity Assessment in Light-Water or Polyethylene-Moderated Systems

A collaborative effort between Pacific Northwest National Laboratory (PNNL) and Oak Ridge National Laboratory (ORNL) is underway to provide a technical basis and methodology for the criticality safety community to use the sum of fractions (SoF) method for generating limits for mixtures of “selected actinide nuclides” included in the ANSI/ANS 8.15 standard. The PNNL scope in this project is to define a range of mixtures of 233 U, 235 U, and 239 Pu moderated with either light water or polyethylene and to examine the critical masses for these mixtures. The ORNL scope is primarily to provide validation support for these studies. More complete discussion of the project and its validation aspects will be presented at the upcoming International Conference on Nuclear Criticality Safety (ICNC) this Fall in Sendai, Japan. Clear differences in benchmark similarity to application systems as assessed by the integral parameter ck are noted in the validation studies performed as part of this project as a function of moderator. The c k value is a correlation coefficient that represents that amount of shared uncertainty in k eff due to cross sections between two systems. Individual nuclide-reaction contributions between the two systems can be simply summed to arrive at the total c k value. Specifically, the c k values for light-water–moderated solution experiments are higher for a water-moderated application than for a polyethylene-moderated application. This result is neither totally unexpected nor surprising, but the magnitude of the difference was difficult to anticipate. The TSUNAMI sequence, in the SCALE 6.2.4 code package developed by ORNL, was used to generate eigenvalues and reactivity effects with perturbation-theory based approach through sensitivity coefficients for all nuclides in the system with all reactions and energy groups. The TSUNAMI-Indices and Parameters (IP) sequence then uses the sensitivity data generated through TSUNAMI to generate relational parameters (i.e., c k ) to determine the degree of similarity between systems. One detail of the SCALE material and data implementation must be discussed at this point. Several thermal scattering laws (TSLs) are available for 1 H. SCALE uses a different nuclide ID number for each TSL; essentially, each version of 1 H is treated as a unique nuclide. For example, 1 H bound in water ( 1 H-H2O) is assigned the nuclide ID 1001, whereas 1 H bound in polyethylene (h-poly) is assigned the nuclide ID 9001001. The same cross section data are used for all reactions in 1 H, regardless of TSL, except for scattering below the TSL cutoff energy. TSUNAMI-IP treats different nuclide IDs as different nuclides; thus, no uncertainty is shared between 1 H-H2O and h-poly, despite much of the same data, including covariance data, being used for both nuclides. This presents a question: how much of the difference in assessed similarity between water- and polyethylene-moderated systems is due to the moderators, and how much is caused by the treatment of 1 H-H2O and h poly with cross section and covariance data. The extended edits generated by TSUANMI-IP allow for an investigation of this issue specifically, as well as a demonstration of the general techniques available within TSUNAMI to understand the results of the similarity assessment. This paper presents and analyzes the similarity assessment of both water- and polyethylene-moderated systems for a single benchmark: PST-002-001.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2022

Gapless Dirac magnons in CrCl3

Abstract Bosonic Dirac materials are testbeds for dissipationless spin-based electronics. In the quasi two-dimensional honeycomb lattice of CrX 3 (X = Cl, Br, I), Dirac magnons have been predicted at the crossing of acoustical and optical spin waves, analogous to Dirac fermions in graphene. Here we show that, distinct from CrBr 3 and CrI 3 , gapless Dirac magnons are present in bulk CrCl 3 , with inelastic neutron scattering intensity at low temperatures approaching zero at the Dirac K point. Upon warming, magnon-magnon interactions induce strong renormalization and decreased lifetimes, with a ~25% softening of the upper magnon branch intensity from 5 to 50 K, though magnon features persist well above T N . Moreover, on cooling below ~50 K, an anomalous increase in the a -axis lattice constant and a hardening of a ~26 meV phonon feature are observed, indicating magnetoelastic and spin-phonon coupling arising from an increase in the in-plane spin correlations that begins tens of Kelvin above T N .

36 MATERIALS SCIENCE↗
DOE OSTI2025

Plausible constraints and inflationary production for dark photons

Generic constraints on dark photons are generally presented assuming they have Stueckelberg masses. These constraints are strengthened if instead the mass is due to the Higgs mechanism and the dark Higgs is light. First, we show that under reasonable assumptions on the origin of kinetic mixing 𝜀 and perturbativity, the strengthened constraints on 𝜀 cannot be arbitrarily relaxed by making the Higgs heavy. Second, we demonstrate a simple mechanism for generating dark photon dark matter after inflation, where fluctuations of a dark Higgs by stochastic misalignment can produce stable dark photons through ℎ →𝐴′⁢𝐴′ decay. Third, we point out new lower bounds on 𝜀 in the case where the dark photon mediates thermal freeze-out of light dark matter by 𝑠-channel exchange, taking account of generic expectations for the size of 𝜀, and astrophysical upper bounds on the self-interaction cross section.

inflation↗
DOE OSTI2024

A B-spline based gradient-enhanced micropolar implicit material point method for large localized inelastic deformations

The quasi-brittle response of cohesive-frictional materials in numerical simulations is commonly represented by softening plasticity or continuum damage models, either individually or in combination. However, classical models, particularly when coupled with non-associated plasticity, often suffer from ill-posedness and a lack of objectivity in numerical simulations. Moreover, the performance of the finite element method significantly degrades in simulations involving finite strains when mesh distortion reaches excessive levels. This represents a challenge for modeling cohesive-frictional materials, given their tendency to experience strongly localized deformations, such as those occurring during shear band dominated failure. Hence, accurate modeling of the response of cohesive-frictional solids is a demanding task. To address these challenges, we present an extension of the material point method (MPM) for the unified gradient-enhanced micropolar continuum, aiming at the analysis of finite localized inelastic deformations in cohesive-frictional materials. The generalized gradient-enhanced micropolar continuum formulation is employed to tackle challenges related to localization and softening material behavior, while the MPM addresses issues arising from excessive deformations. The method utilizes a B-spline formulation for the rigid background mesh to mitigate the well-known cell crossing errors of the MPM. To demonstrate the performance of the method, 2D and 3D numerical studies on localized failure in sandstone in plane strain compression and triaxial extension tests are presented. A comparison with finite element results confirms the suitability of the formulation. Moreover, an efficient numerical implementation of the formulation is presented, and it is demonstrated that the additional MPM specific overhead is negligible.

B-spline↗
DOE OSTI2021

Moiré trions in MoSe 2 /WSe 2 heterobilayers

Transition metal dichalcogenide moiré bilayers with spatially periodic potentials have emerged as a highly tunable platform for studying both electronic and excitonic phenomena. The power of these systems lies in the combination of strong Coulomb interactions with the capability of controlling the charge number in a moiré potential trap. Electronically, exotic charge orders at both integer and fractional fillings have been discovered. However, the impact of charging effects on excitons trapped in moiré potentials is poorly understood. Here, we report the observation of moiré trions and their doping-dependent photoluminescence polarization in H-stacked MoSe 2 /WSe 2 heterobilayers. We find that as moiré traps are filled with either electrons or holes, new sets of interlayer exciton photoluminescence peaks with narrow linewidths emerge about 7 meV below the energy of the neutral moiré excitons. Circularly polarized photoluminescence reveals switching from co-circular to cross-circular polarizations as moiré excitons go from being negatively charged and neutral to positively charged. Furthermore, this switching results from the competition between valley-flip and spin-flip energy relaxation pathways of photo-excited electrons during interlayer trion formation. Our results offer a starting point for engineering both bosonic and fermionic many-body effects based on moiré excitons.

36 MATERIALS SCIENCE↗
DOE OSTI2023

X-ray emission from a rapidly accreting narrow-line Seyfert 1 galaxy at z = 6.56

The space density of X-ray-luminous, blindly selected active galactic nuclei (AGN) traces the population of rapidly accreting super-massive black holes through cosmic time. It is encoded in the X-ray luminosity function, whose bright end remains poorly constrained in the first billion years after the Big Bang as X-ray surveys have thus far lacked the required cosmological volume. With the eROSITA Final Equatorial-Depth Survey (eFEDS), the largest contiguous and homogeneous X-ray survey to date, X-ray AGN population studies can now be extended to new regions of the luminosity–redshift space (L 2 - 10 keV > 10 45 erg s -1 and z > 6). The current study aims at identifying luminous quasars at z > 5.7 among X-ray-selected sources in the eFEDS field in order to place a lower limit on black hole accretion well into the epoch of re-ionisation. A secondary goal is the characterisation of the physical properties of these extreme coronal emitters at high redshifts. Cross-matching eFEDS catalogue sources to optical counterparts from the DESI Legacy Imaging Surveys, we confirm the low significance detection with eROSITA of a previously known, optically faint z = 6.56 quasar from the Subaru High-z Exploration of Low-luminosity Quasars (SHELLQs) survey. We obtained a pointed follow-up observation of the source with the Chandra X-ray telescope in order to confirm the low-significance eROSITA detection. Using new near-infrared spectroscopy, we derived the physical properties of the super-massive black hole. Finally, we used this detection to infer a lower limit on the black hole accretion density rate at z > 6. The Chandra observation confirms the eFEDS source as the most distant blind X-ray detection to date. The derived X-ray luminosity is high with respect to the rest-frame optical emission of the quasar. With a narrow MgII line, low derived black hole mass, and high Eddington ratio, as well as its steep photon index, the source shows properties that are similar to local narrow-line Seyfert 1 galaxies, which are thought to be powered by young super-massive black holes. In combination with a previous high-redshift quasar detection in the field, we show that quasars with L 2 - 10 keV > 10 45 erg s -1 dominate accretion onto super-massive black holes at z ~ 6.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2024

Multinucleon transfer in 48 Ti + 48 Ti collisions at 11.5 MeV/nucleon

In this work, experimental data of projectile fragment distributions from a preliminary experimental study of the reaction of 11.5 MeV/nucleon 48 Ti on 48 Ti analyzed with the MARS recoil separator at the Cyclotron Institute of Texas A&M University are presented. Production cross sections, momentum distributions and excitation-energy distributions are extracted and compared with calculations with the Deep Inelastic Transfer (DIT) model and the Constrained Molecular Dynamics model (CoMD). Despite the limited extent of the present dataset, an overall agreement of the models with the data is found pointing at the prevailing nucleon-exchange character of the collisions at this energy.

Souliotis, Georgios↗
DOE OSTI2025

Consistent electroweak phenomenology of a nearly degenerate Z ′ boson

Extracting constraints on the kinetic mixing of a new U ( 1 ) ′ gauge boson hiding under the Standard Model Z boson resonance requires the formalism of non-Hermitian two-point correlation functions at 1-loop order. We derive self-consistent collider constraints on Z ′ bosons with kinetic mixing in a narrow mass window around the Z boson, considering both model-independent and model-dependent bounds. Our treatment elucidates the importance of both avoided level crossing and the dispersive seesaw effect in interpreting the existing constraints. We also discuss the implications for future measurements on the Z -pole. Published by the American Physical Society 2025

Lo Chiatto, Prisco (ORCID:000000024177557X)↗
DOE OSTI2020

Mapping of Benthic Habitats at Marine Renewable Energy Sites Using Multibeam Echosounder and Sediment Profile Imaging Technologies

Objectives/Scope: The goal of this work was to develop a consistent and semi-automated seafloor survey method for generating high-resolution, benthic habitat maps for environmental assessments and monitoring of marine renewable energy sites. Sediment profile and plan view imaging (SPI/PV) technology was combined with multibeam bathymetry and acoustic backscatter methods to demonstrate a rapid, cost-effective benthic mapping protocol. A key technical innovation of this project was the development of an image processing platform that automatically measures key features from the images. Methods: Multibeam echosounder (MBES) acoustic and SPI/PV surveys were conducted at three coastal areas off the U.S. west coast, including the PacWave South energy test site off of Newport, Oregon. Point data on physical and biological sediment conditions obtained from the SPI/PV imagery were used to efficiently ground-truth the high-resolution MBES bathymetry and backscatter mosaics. The SPI camera is an optical corer that obtains an undisturbed 21 by 15 cm, high-resolution, cross-sectional image of the sediment–water interface and upper sediment column. The plan view camera attached to the SPI camera frame captures a downward looking view of the seabed immediately before the SPI image is obtained. As part of this project, we developed a computer vision image processing platform (iSPI) that uses deep convolutional neural networks and other approaches to automatically identify and measure key features in the images, such as grain size and surface relief. Results: Detailed benthic habitat maps were generated using this mapping approach for three different marine settings. The sites mapped included a silt-dominated embayment; a sloping, nearshore, transitional very fine to coarse sand bottom; and a medium, sand-dominated continental shelf marine energy test site. In each case, acoustic and imaging surveys were completed in less than week, and detailed benthic habitat maps were generated within 60 days. The results were placed within the Coastal and Marine Ecological Classification Standard (CMECS) habitat mapping framework, and various combinations of the bathymetry, backscatter, and SPI and PV data were used to generate CMECS component maps. Novel Information: This project developed and demonstrated a repeatable and cost-effective approach for efficiently mapping benthic habitat conditions over broad areas of the seafloor by combining state-of-the-art acoustic and imaging techniques. The primary survey tools used in this project have been used previously in both the offshore renewable (wind) and oil and gas sectors to map and monitor benthic environments. This project’s innovations include 1) the focused use of high-resolution SPI/PV imagery to ground-truth acoustic mosaics, and 2) the development of a computer automated image analysis processing tool that both streamlines and standardizes the generation of data from the imagery and makes the data extraction process more cost-effective and repeatable.

13 HYDRO ENERGY↗