Engineering Papers⌕ Search

SEARCH · Engineering Papers

Results for “pairing mechanisms”

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.

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

At least 271 records · Page 15
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Signatures of polarized chiral spin disproportionation in rare earth nickelates

In rare earth nickelates (RENiO 3 ), electron-lattice coupling drives a concurrent metal-to-insulator and bond disproportionation phase transition whose microscopic origin has long been the subject of active debate. Of several proposed mechanisms, here we test the hypothesis that pairs of self-doped ligand holes spatially condense to provide local spin moments that are antiferromagnetically coupled to Ni spins. These singlet-like states provide a basis for long-range bond and spiral spin order. Using magnetic resonant X-ray scattering on NdNiO 3 thin films, we observe the chiral nature of the spin disproportionated state, with spin spirals propagating along the crystallographic (101) ortho direction. These spin spirals are found to preferentially couple to X-ray helicity, establishing the presence of a hitherto-unobserved macroscopic chirality. The presence of this chiral magnetic configuration suggests a potential multiferroic coupling between the noncollinear magnetic arrangement and improper ferroelectric behavior as observed in prior studies on NdNiO 3 (101) ortho films and RENiO 3 single crystals. Experimentally constrained theoretical double-cluster calculations confirm the presence of an energetically stable spin-disproportionated state with Zhang-Rice singlet-like combinations of Ni and ligand moments

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2023

Enthalpy-uphill exciton dissociation in organic/2D heterostructures promotes free carrier generation

Despite the large binding energy of charge transfer (CT) excitons in type-II organic/2D heterostructures, it has been demonstrated that free carriers can be generated from CT excitons with a long lifetime. Using a model fluorinated zine phthalocyanine (F 8 ZnPc)/monolayer-WS 2 interface, we find that CT excitons can dissociate spontaneously into free carriers despite it being an enthalpy-uphill process. Specifically, it is observed that CT excitons can gain an energy of 250 meV in 50 ps and dissociate into free carriers without any applied electric field. This observation is surprising because excited electrons typically lose energy to the environment and relax to lower energy states. Here, we hypothesize that this abnormal enthalpy-uphill CT exciton dissociation process is driven by entropy gain. Kinetically, the entropic driving force can also reduce the rate for the reverse process – the conversion of free electron–hole pairs back to CT excitons. Hence, this mechanism can potentially explain the very long carrier lifetime observed in organic/2D heterostructures.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Abell 1430: A merging cluster with exceptional diffuse radio emission

Diffuse radio emission has been found in many galaxy clusters, predominantly in massive systems which are in the state of merging. The radio emission can usually be classified as relic or halo emission, which are believed to be related to merger shocks or volume-filling turbulence, respectively. Recent observations have revealed radio bridges for some pairs of very close galaxy clusters. The mechanisms that may allow one to explain the high specific density of relativistic electrons, which are necessary to explain the radio luminosity of these bridge regions, have been poorly explored until now. When inspecting the first data release of the LOFAR Two-Metre Sky Survey (LoTSS), we discovered diffuse radio emission in the galaxy cluster Abell 1430. Here, for this work, we aim to determine the dynamical state of the cluster and characterise the diffuse radio emission. We analysed the LoTSS data in detail and complemented them with recent Karl G. Jansky Very Large Array observations in the L-band. To study the dynamical state of the cluster, we analysed XMM-Newton data, Chandra data, and Sloan Digital Sky Survey data. Moreover, we compared our results to clusters extracted from THE THREE HUNDRED PROJECT cosmological simulation. We find that Abell 1430 consists of two components, namely A1430-A and A1430-B, with a mass ratio of about 2:1. The massive component shows diffuse radio emission which can be classified as radio halo which shows a low radio power at 1.4 GHz with respect to the mass of the cluster. Most interestingly, there is extended diffuse radio emission in the following dubbed as the ‘Pillow’ according to its morphology, which is apparently related to A1430-B and which is neither typical halo nor typical relic emission. The origin of this emission is puzzling. We speculate that the two components of Abell 1430 undergo an off-axis merger. In this scenario, A1430-B is moving towards the main cluster component and may have compressed and stirred the medium in the filament between the two cluster components. We have discovered evidence for diffuse radio emission related to the low-density intracluster or intergalactic medium in Abell 1430. To date, only a few examples of emission originating from such regions are known. These discoveries are crucial to constrain possible acceleration mechanisms which may allow us to explain the presence of relativistic electrons in these regions. In particular, our results indicate a spectral index of α 144 MHz 1.5 GHz = -1.4±0.5 for the Pillow. If upcoming observations confirm a slope as flat as -1.4 or even flatter, this would pose a challenge for the electron acceleration scenarios.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2020

Correlations between conduction electrons in dense plasmas

Most treatments of electron-electron correlations in dense plasmas either ignore them entirely (random phase approximation) or neglect the role of ions (jellium approximation). In this work, we go beyond both these approximations to derive a formula for the electron-electron static structure factor which properly accounts for the contributions of both ionic structure and quantum-mechanical dynamic response in the electrons. The result can be viewed as a natural extension of the quantum Ornstein-Zernike theory of ionic and electronic correlations, and it is suitable for dense plasmas in which the ions are classical and the conduction electrons are quantum-mechanical. Here, the corresponding electron-electron pair distribution functions are compared with the results of path integral Monte Carlo simulations, showing good agreement whenever no strong electron resonance states are present. We construct approximate potentials of mean force which describe the effective screened interaction between electrons. Significant deviations from Debye-Hückel screening are present at temperatures and densities relevant to high-energy density experiments involving warm and hot dense plasmas. The presence of correlations between conduction electrons is likely to influence the electron-electron contribution to the electrical and thermal conductivity. It is expected that excitation processes involving the conduction electrons (e.g., free-free absorption) will also be affected.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2024

Strong and Weak C P Tests in Sequential Decays of Polarized Σ 0 Hyperons

The J / ψ , ψ ( 3686 ) → Σ 0 Σ ¯ 0 processes and subsequent decays are studied using the world’s largest J / ψ and ψ ( 3686 ) data samples collected with the BESIII detector. The parity-violating decay parameters of the decays Σ 0 → Λ γ and Σ ¯ 0 → Λ ¯ γ , α Σ 0 = − 0.0017 ± 0.0021 ± 0.0018 and α ¯ Σ 0 = 0.0021 ± 0.0020 ± 0.0022 , are measured for the first time. The strong C P symmetry is tested in the decays of the Σ 0 hyperons for the first time by measuring the asymmetry A C P Σ = α Σ 0 + α ¯ Σ 0 = ( 0.4 ± 2.9 ± 1.3 ) × 10 − 3 . The weak C P test is performed in the subsequent decays of their daughter particles Λ and Λ ¯ . Also for the first time, the transverse polarizations of the Σ 0 hyperons in J / ψ and ψ ( 3686 ) decays are observed with opposite directions, and the ratios between the S -wave and D -wave contributions of the J / ψ , ψ ( 3686 ) → Σ 0 Σ ¯ 0 decays are obtained. These results are crucial to understand the decay dynamics of the charmonium states and the production mechanism of the Σ 0 − Σ ¯ 0 pairs. Published by the American Physical Society 2024

Physics↗
DOE OSTI2022

Searching for Pairs of Higgs Bosons in the LHC Run 2 Dataset

The discovery of the Higgs boson confirms the existence of a scalar sector of the standard model, responsible for electroweak symmetry breaking, but the nature and properties of the potential at the origin of this mechanism are still unknown. By studying the production of pairs of Higgs bosons (HH), physicists can directly measure the coupling of the Higgs boson to itself and thus determine the shape of this potential, which has far-reaching implications on the origin and evolution of our Universe. Because of this deep connection to the foundations of electroweak symmetry breaking, HH production is also an ideal place to search for manifestations of yet-unknown physics, such as modifications of the strength of the self-coupling and of the interaction between pairs of vector bosons and Higgs bosons. In this review article, we summarize the current searches for HH production at ATLAS and CMS, using the LHC Run 2 dataset, discuss the implications of our current constraints on physics beyond the standard model, and briefly review prospect for future HH searches.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
NASA NTRS1967

Kinematic synthesis of plane curves.

Damped least squares method for kinematic synthesis of plane curves described by paired coordinates for four-bar linkage mechanism

COORDINATE SYSTEM↗
NASA NTRS1981

A molecular model for ice nucleation and growth

The semi-empirical quantum mechanical approach and the central field empirical pair potential model are applied to the development of molecular models for ice nucleation and growth.

Source record↗
NASA NTRS1987

Propellant Tanks for Tethered Orbital Refueling Facility

Thermodynamics, mechanical stability, and mass penalties affect design. Pair of reports presents design study for propellant tanks used in low gravity. Each tank, which most likely contains liquid H2 or O2, part of fuel depot tethered to station in orbit around Earth. Some engineering concepts in study applied to design of tanks for use on Earth in transport and storage of cryogenic liquids and other fluids requiring special handling.

Rudolph, L. Kevin↗
NASA NTRS1998

Shear-Layer Effects on Trailing Vortices

Crosswind shear can influence the trailing vortex trajectories significantly, according to both field measurement and numerical simulations. Point vortex models are used in this paper to study the fluid dynamic mechanism in the interactions between trailing vortex pair and shear layers. It has been shown that the shear-layer deformation causes the vortex descent history difference in the two vortices of the vortex pair. When a shear layer is below the vortex pair with the same sign as the left vortex, the right vortex descends less than the left vortex. When the same shear layer is above the vortex pair, the right vortex descends more. The descent altitudes of the two vortices are the same when they go through a constant, non-deformed shear layer. Those trends are in agreement with Navier-Stokes simulations.

Zheng, Z. C.↗
DOE OSTI2024

First-Principles Study on the Role of Cu and Cl-Based Dopants in NiO

Utilization of wide band gap oxide-based materials in thin-film solar energy technologies has increased in recent years. Among the numerous candidate oxide materials, NiO has shown many desirable optoelectronic properties that are applicable to thin-film PV technologies such as cadmium telluride PV. However, one critical factor requiring further investigation is the p-type doping behavior of NiO, specifically when the cadmium telluride solar cell undergoes conventional processes such as copper doping and chlorine-based activation treatment. The previous literature has shown a large degree of variability in hole concentrations in NiO when copper is used as the primary dopant. This study uses first-principles computational modeling based on density functional theory coupled with defect equilibria calculations to quantitatively explore the role of copper and chlorine-based extrinsic dopants in the p-type doping activity of NiO. The study reveals the importance of extrinsic dopants and their binding interactions with nickel vacancies to effectively p-dope NiO. It is suggested that both the formation of V Ni + Cu Ni and V Ni + Cl O defect pairs under a supersaturated state of NiO are potential mechanisms for increasing hole densities. On the other hand, the production of 2Cu Ni severely limits the effectiveness of p-doping in NiO, even in the presence of the aforementioned defect pairs. Furthermore, the study provides a guideline for experimentalists interested in using copper or chlorine species to understand how to controllably p-dope NiO during thin-film synthesis.

chlorine↗
NASA NTRS2004

[PVFS 2000: An operational parallel file system for Beowulf]

The approach has been to develop Parallel Virtual File System version 2 (PVFS2) , retaining the basic philosophy of the original file system but completely rewriting the code. It shows the architecture of the server and client components. BMI - BMI is the network abstraction layer. It is designed with a common driver and modules for each protocol supported. The interface is non-blocking, and provides mechanisms for optimizations including pinning user buffers. Currently TCP/IP and GM(Myrinet) modules have been implemented. Trove -Trove is the storage abstraction layer. It provides for storing both data spaces and name/value pairs. Trove can also be implemented using different underlying storage mechanisms including native files, raw disk partitions, SQL and other databases. The current implementation uses native files for data spaces and Berkeley db for name/value pairs.

Ligon, Walt↗
DOE OSTI2022

Supercurrent-induced topological phase transitions

We show that finite current in superconductors can induce topological phase transitions, as a result of the deformation of the quasiparticle spectrum by a finite center-of-mass (COM) momentum of the Cooper pairs. To show the wide applicability of this mechanism, we examine the topological properties of three prototypical systems: the Kitaev chain, s-wave superconductors, and d-wave superconductors. Here we introduce a finite COM momentum as an external field corresponding to the supercurrent and show that all the models exhibit current-induced topological phase transitions. We also discuss the possibility of observing the phase transitions in experiments and the relation to the other finite COM momentum pairing states.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
NASA NTRS1995

Rototranslational collision-induced absorption by H2-H2 pairs at temperatures from 600 to 7000 K

The computation of the far-infrared, rototranslational (RT) collision-induced absorption (CIA) spectra of H2-H2 pairs is presented at temperatures from 600 to 7000 K for the first time. Theoretical results are based on the quantum mechanical and semiclassical, three lowest translational spectral moments obtained for H2 pairs. The effective, isotropic H2-H2 interaction potential, suitable for the high-temperature computations, and the ab initio induced dipoles, have been used as input. Special effort has been made to account for the rotational and vibrational states dependence of the dipoles, since it was found to be relevant at the high temperatures employed. The computations of the entire RT band account for all populated vibrational states of hydrogen molecule and include vibrational transitions v tends towards v-prime = v, with v = 0, 1, 2 and 3. The described method makes use of the adequately selected model line shapes with the temperature-dependent parameters. The presented model is useful for the 'model atmospheres' of zero- and low-metallicity, cool and dense stellar atmospheres, where CIA is known to be imporatnt.

Zheng, Chunguang↗
DOE OSTI2023

Structural basis of sequence-specific cytosine deamination by double-stranded DNA deaminase toxin DddA

The interbacterial deaminase toxin DddA catalyzes cytosine-to-uracil conversion in double-stranded (ds) DNA and enables CRISPR-free mitochondrial base editing, but the molecular mechanisms underlying its unique substrate selectivity have remained elusive. Here, we report crystal structures of DddA bound to a dsDNA substrate containing the 5'-TC target motif. These structures show that DddA binds to the minor groove of a sharply bent dsDNA and engages the target cytosine extruded from the double helix. DddA Phe1375 intercalates in dsDNA and displaces the 5' (-1) thymine, which in turn replaces the target (0) cytosine and forms a noncanonical T–G base pair with the juxtaposed guanine. This tandem displacement mechanism allows DddA to locate a target cytosine without flipping it into the active site. Biochemical experiments demonstrate that DNA base mismatches enhance the DddA deaminase activity and relax its sequence selectivity. On the basis of the structural information, we further identified DddA mutants that exhibit attenuated activity or altered substrate preference. Our studies may help design new tools useful in genome editing or other applications.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2020

Pre-formed Cooper pairs in copper oxides and LaAlO 3 —SrTiO 3 heterostructures

The Bardeen–Cooper–Schrieffer theory of superconductivity and the Landau–Fermi liquid theory form the basis of our current understanding of conventional superconductors and their parent non-superconducting phases. However, some exotic superconductors do not conform to this physical picture but instead feature an unusual ‘normal’ state that is not a Fermi liquid. One explanation of this unusual behaviour is that pre-formed pairs of electrons are established above the superconducting temperature T c . Here, we highlight recent experiments that show the likely existence of these pre-formed pairs in two rather different materials—a high-temperature cuprate superconductor and strontium titanate. Moreover, in both materials the normal state from which superconductivity emerges has other shared properties, including a pseudogap and electronic nematicity—rotational symmetry breaking in the electron fluid that is not expected in Fermi liquid theory nor more generally from the crystal lattice symmetry. These experimental findings should provoke more interaction between the communities working on these materials and new insights into the underlying mechanism of the creation of pre-formed pairs.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2025

Reconnection-driven Flares in M87*: Proton–Synchrotron-powered GeV Emission

Magnetic reconnection in current layers that form intermittently in radiatively inefficient accretion flows onto black holes is a promising mechanism for particle acceleration and high-energy emission. It has been recently proposed that such layers, arising during flux eruption events, can power the rapid TeV flares observed from the core of M87. In this scenario, inverse-Compton scattering of soft radiation from the accretion flow by energetic electron–positron pairs produced near the reconnection layer was suggested as the primary emission mechanism. However, detailed calculations show that radiation from pairs alone cannot account for the GeV emission detected by the Fermi observatory. In this work, we combine analytic estimates with 3D radiative particle-in-cell simulations of pair–proton plasmas to show that the GeV emission can be naturally explained by synchrotron radiation from protons accelerated in the current sheet. Although the exact proton content of the layer is uncertain, our model remains robust across a broad range of proton-to-pair number density ratios. While protons are subdominant in number compared to pairs, our simulations demonstrate that they can be accelerated more efficiently, leading to a self-regulated steady state in which protons dominate the energy budget. Ultimately, proton synchrotron emission accounts for approximately 5%–20% of the total dissipation power. The majority is radiated as MeV photons via pair synchrotron emission, with a smaller fraction emitted as TeV photons through inverse-Compton scattering.

Active galactic nuclei↗
NASA NTRS1993

Relativistically expanding pair plasmas as bursting sources of cosmic gamma rays

High temperature shock heating of relativistically expanding plasmas produced in neutron star binary mergers provides a model for cosmic gamma ray burst sources. This requires the fireball resulting from the merger to have a very high entropy per baryon, mechanisms for which are discussed. The energy, temporal structure and spectrum produced by the blast wave and reverse shock as the fireball is decelerated in an external medium are comparable to those observed, as is the frequency of occurrence and the characteristics of the spatial distribution of the events. Difficulties common to all cosmological gamma ray burst scenarios concern the total amount of energy ultimately appearing at gamma ray energies, the time scales, the spectrum, and the great variety of time profiles. A very general mechanism which overcomes these problems is presented. Situations where the pair plasma is created in regions which are relatively free of baryons are discussed. The effect of the interaction of the expanding fireball with the external medium is considered.

Meszaros, Peter↗