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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 487 records · Page 27
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

Quantum system dynamics with a weakly nonlinear Josephson junction bath

Here, we investigate the influence of a weakly nonlinear Josephson bath consisting of a chain of Josephson junctions on the dynamics of a small quantum system (LC oscillator). Focusing on the regime where the charging energy is the largest energy scale, we perturbatively calculate the correlation function of the Josephson bath to the leading order in the Josephson energy divided by the charging energy while keeping the cosine potential exactly. When the variation of the charging energy along the chain ensures fast decay of the bath correlation function, the dynamics of the LC oscillator that is weakly and capacitively coupled to the Josephson bath can be solved through the Markovian master equation. We establish a duality relation for the Josephson bath between the regimes of large charging and Josephson energies, respectively. The results can be applied to cases where the charging energy either is nonuniformly engineered or disordered in the chain. Furthermore, we find that the Josephson bath may become non-Markovian when the temperature is increased beyond the zero-temperature limit in that the bath correlation function gets shifted by a constant and does not decay with time.

1-dimensional systems↗
DOE OSTI2021

Readout of Large Capacitance SiPMs by Weak Coupling to Charge Sensitive Amplifier

Large area and large capacitance silicon photomultiplier (SiPM) arrays are employed to collect scintillation light in noble liquid time projection chambers (TPC) such as DarkSide, nEXO, MEGII, protoDUNE and DUNE. Light readout using ASICs designed for operation in noble liquids is a solution for large meter-scale photon detectors. However, conventional readout requires a high voltage decoupling capacitor larger than SiPM capacitance (in the range of tens of nF) to achieve full charge transfer to the preamplifier. Here, we demonstrate a readout concept by weakly coupling (via a capacitor lower by an order of magnitude than SiPM capacitance) to a charge sensitive amplifier, LArASIC in this case, without any loss in the signal to noise ratio (S/N). The single-photoelectron detection, signal-to-noise ratio, timing resolution, and coincidence detection are experimentally characterized.

47 OTHER INSTRUMENTATION↗
DOE OSTI2020

Electrochemical Model Assessment of Strategies for Fast Charge

The United States Department of Energy (DOE) has identified extreme fast charging (XFC) as a critical challenge that must be overcome in order to achieve widespread adoption of electric vehicles. DOE’s eXtreme Fast Charge and Cell Evaluation (XCEL) program seeks to reduce charge time to 10-15 minutes for a 200+ Wh/kg Li-ion battery. This presentation for DOE’s Vehicle Technologies Program Annual Merit Review summarizes the XCEL team’s work developing electrochemical models to interpret data and applying them to identify best strategies to achieve fast charge. Strategies include advanced electrode architectures, elevated temperature charging, novel charge protocols, advanced electrolytes, thermal management and suppression of heterogeneities that cause early onset of the damaging Li plating side reaction.

47 OTHER INSTRUMENTATION↗
DOE OSTI2024

A tensor density measure of topological charge in three dimensional nematic phases

A path independent measure in order parameter space is introduced such that, when integrated along any closed contour in a three dimensional nematic phase, it yields the topological charge of any line defects encircled by the contour. A related measure, when integrated over either closed or open surfaces, reduces to known results for the charge associated with point defects (hedgehogs) or Skyrmions. We further define a tensor density, the disclination density tensor D, from which the location of a disclination line can be determined. This tensor density has a dyadic decomposition near the line into its tangent and its rotation vector, allowing a convenient determination of both. The tensor D may be nonzero in special configurations in which there are no defects (double-splay or double-twist configurations), and its behavior there is provided. The special cases of Skyrmions and hedgehog defects are also examined, including the computation of their topological charge from D.

36 MATERIALS SCIENCE↗
DOE OSTI2026

Assessment of BPM options for the EIC Beam Accumulator Ring

The electron injection system for the Electron-Ion Collider (EIC) at BNL is designed to provide a beam of polarized electrons, which is crucial for studying the structure of protons and atomic nuclei. The Beam Accumulator Ring (BAR) is a part of the injection chain between the 750 MeV linear accelerator and the Rapid Cycling Synchrotron (RCS), which accelerates the beam up to full energy (5–18 GeV). The functional role of the BAR is to accumulate the charge injected from the linear accelerator in order to achieve the high intensity of the polarized electron beam required by the specifications for injection into the RCS. This objective will be realized through the sequential injection of bunches with a charge of 1.1 nC at a repetition rate of 30 Hz. Once the charge of a single bunch reaches 28 nC, the beam will be extracted from the BAR and injected into the RCS. The beam instrumentation needs to provide reliable measurements with the required accuracy over the dynamic range from 0.1 nC (one tenth of a typical injected bunch charge) to 32 nC – the maximum expected accumulated current. There are 10 Beam Position Monitors (BPMs) in the ring, 1 extra button-electrode assembly for the RF system, and 8 BPMs in the beam transport lines. The BPM locations are shown in Fig. 1, marked by blue rectangles. The ring BPMs will be capable of both average orbit and turn-by-turn measurement modes. Accurate measurement of the beam position with a large horizontal offset requires polynomial correction of the BPM nonlinearity.

43 PARTICLE ACCELERATORS↗
DOE OSTI2021

Scattering of Radio Frequency Waves by Density Filaments

The edge region and the scrape-off layer of magnetically confined fusion devices, like tokamaks and stellarators, are replete with turbulent plasma that is a mixture of coherent, blob or filament like, structures [1] and incoherent fluctuations [2]. The variation in the density due to turbulence can be comparable to or greater than the ambient density [2]. As part of an overall effort to optimize the efficiency of operation, radio frequency (RF) waves are commonly used for heating fusion plasmas and, in tokamaks, for generating plasma current needed for confinement and controlling instabilities. The RF waves are excited by antenna structures that are placed near the wall of a fusion device. In order to deliver energy and momentum to charged particles in the core of fusion plasmas, RF waves have to propagate through the turbulent plasma. In present fusion devices, the scrap-off layer and the edge plasma region is of the order of a few centimeters. In reactor type devices, like ITER, this region is expected to be of the order of tens of centimeters. Since the efficiency of operation of a fusion reactor is of prime importance, it is imperative that we understand the effect of turbulence on RF waves. The fluctuations in density lead to changes in the plasma permittivity. As in conventional electrodynamics, the propagation of RF waves through different dielectric media is subject to reflection, refraction, and diffraction. In this paper, we summarize our theoretical and computational studies on the propagation of RF waves through filamentary structures present in the scrape-off layer.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2021

Evolution of Charge-Lattice Dynamics across the Kuramoto Synchronization Phase Diagram of Quantum Tunneling Polarons in Cuprate Superconductors

Because of its sensitivity to the instantaneous structure factor, S(Q,t = 0), Extended X-ray Absorption Fine Structure (EXAFS) is a powerful tool for probing the dynamic structure of condensed matter systems in which the charge and lattice dynamics are coupled. When applied to hole-doped cuprate superconductors, EXAFS has revealed the presence of internal quantum tunneling polarons (IQTPs). An IQTP arises in EXAFS as a two-site distribution for certain Cu–O pairs, which is also duplicated in inelastic scattering but not observed in standard diffraction measurements. The Cu–Sr pair distribution has been found to be highly anharmonic and strongly correlated to both the IQTPs and to superconductivity, as, for example, in YSr 2 Cu 2.75 Mo 0.25 O 7.54 (T c =84 K). In order to describe such nontrivial, anharmonic charge-lattice dynamics, we have proposed a model Hamiltonian for a prototype six-atom cluster, in which two Cu-apical-O IQTPs are charge-transfer bridged through Cu atoms by an O atom in the CuO 2 plane and are anharmonically coupled via a Sr atom. By applying an exact diagonalization procedure to this cluster, we have verified that our model indeed produces an intricate interplay between charge and lattice dynamics. Then, by using the Kuramoto model for the synchronization of coupled quantum oscillators, we have found a first-order phase transition for the IQTPs into a synchronized, phase-locked phase. Most importantly, we have shown that this transition results specifically from the anharmonicity. Finally, we have provided a phase diagram showing the onset of the phase-locking of IQTPs as a function of the charge-lattice and anharmonic couplings in our model. We have found that the charge, initially confined to the apical oxygens, is partially pumped into the CuO 2 plane in the synchronized phase, which suggests a possible connection between the synchronized dynamic structure and high-temperature superconductivity (HTSC) in doped cuprates.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2022

Thermodynamic insights into the intricate magnetic phase diagram of EuAl 4

The tetragonal intermetallic compound EuAl 4 hosts an exciting variety of low-temperature phases. In addition to a charge density wave below 140 K, four ordered magnetic phases are observed below 15.4 K. Recently, a skyrmion phase was proposed based on Hall effect measurements under a c-axis magnetic field. Here, we present a detailed investigation of the phase transitions in EuAl 4 under c-axis magnetic field. Our dilatometry, heat-capacity, DC magnetometry, AC magnetic susceptibility, and resonant ultrasound spectroscopy measurements reveal three magnetic phase transitions not previously reported. The first key result is a detailed H ∥ [001] magnetic phase diagram mapping the seven phases we observe. Second, we identify a high-field phase, phase VII, which directly corresponds to the region were skyrmions have been previously suggested. Our results provide guidance for future studies exploring the complex magnetic interactions and spin structures in EuAl 4 .

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2021

Charge density waves in cuprate superconductors beyond the critical doping

The unconventional normal-state properties of the cuprates are often discussed in terms of emergent electronic order that onsets below a putative critical doping of x c ≈ 0.19. Charge density wave (CDW) correlations represent one such order; however, experimental evidence for such order generally spans a limited range of doping that falls short of the critical value x c , leading to questions regarding its essential relevance. Here, we use X-ray diffraction to demonstrate that CDW correlations in La 2–x Sr x CuO 4 persist up to a doping of at least x = 0.21. The correlations show strong changes through the superconducting transition, but no obvious discontinuity through x c ≈ 0.19, despite changes in Fermi surface topology and electronic transport at this doping. These results demonstrate the interaction between CDWs and superconductivity even in overdoped cuprates and prompt a reconsideration of the role of CDW correlations in the high-temperature cuprate phase diagram.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Measurement of the non-prompt D-meson fraction as a function of multiplicity in proton-proton collisions at $\sqrt{s}$ = 13 TeV

The fractions of non-prompt (i.e. originating from beauty-hadron decays) D 0 and D + mesons with respect to the inclusive yield are measured as a function of the charged-particle multiplicity in proton-proton collisions at a centre-of-mass energy of $\sqrt{s}$ = 13 TeV with the ALICE detector at the LHC. The results are reported in intervals of transverse momentum (pT) and integrated in the range 1 < p T < 24 GeV/c. The fraction of non-prompt D 0 and D + mesons is found to increase slightly as a function of p T in all the measured multiplicity intervals, while no significant dependence on the charged-particle multiplicity is observed. In order to investigate the production and hadronisation mechanisms of charm and beauty quarks, the results are compared to PYTHIA 8 as well as EPOS 3 and EPOS 4 Monte Carlo simulations, and to calculations based on the colour glass condensate including three-pomeron fusion.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2021

Aqueous ion partitioning in Nafion: Applicability of Manning's counter-ion condensation theory

Nafion is a well-studied polymer of significant interest as a fuel cell membrane due to rapid transport of protons, which is often ascribed, at least in part, to its phase-separated morphology. The literature detailing ion sorption and transport in Nafion diverges considerably from that of water purification membranes, with contrasting analyses and models. To help bridge these gaps and facilitate comparisons of membranes with various structures, this study presents measurements of ion activity coefficients and sorption in Nafion 117 equilibrated with aqueous solutions of NaCl, MgCl 2 , and Na 2 SO 4 , which are relevant to water purification. The experimental data are compared to a theoretical framework based on Manning's counter-ion condensation theory and Donnan theory. Good agreement between the model and data is observed for NaCl and MgCl 2 , using no adjustable parameters. However, the model significantly underpredicts Na 2 SO 4 solubility, which is attributed to ion pairing effects. Furthermore, the results highlight the general applicability of counter-ion condensation theory to highly charged polymers, including those exhibiting nanoscale ordering, while revealing fundamental limitations related to ion pairing.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Benchmark Data Set of Crystalline Organic Semiconductors

This work reports a Benchmark Data set of Crystalline Organic Semiconductors to test calculations of the structural and electronic properties of these materials in the solid state. The data set contains 67 crystals consisting of mostly rigid molecules with a single dominant conformer, covering the majority of known structural types. The experimental crystal structure is available for the entire data set, whereas zero-temperature unit cell volume can be reliably estimated for a subset of 28 crystals. Using this subset, we benchmark r 2 SCAN-D3 and PBE-D3 density functionals. Then, for the entire data set, we benchmark approximate density functional theory (DFT) methods, including GFN1-xTB and DFTB3(3ob-3-1), with various dispersion corrections against r 2 SCAN-D3. Our results show that r 2 SCAN-D3 geometries are accurate within a few percent, which is comparable to the statistical uncertainty of experimental data at a fixed temperature, but the unit cell volume is systematically underestimated by 2% on average. The several times faster PBE-D3 provides an unbiased estimate of the volume for all systems except for molecules with highly polar bonds, for which the volume is substantially overestimated in correlation with the underestimation of atomic charges. Considered approximate DFT methods are orders of magnitude faster and provide qualitatively correct but overcompressed crystal structures unless the dispersion corrections are fitted by unit cell volume.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2020

Modulating Microphase Separation of Lamellae-Forming Diblock Copolymers via Ionic Junctions

In this work, we present a molecular dynamics simulation study investigating the phase behavior of lamellae-forming diblock copolymers with a single ionic junction on the backbone. Our results show qualitative agreement with experimental findings regarding enhanced microphase separation with the introduction of an ionic junction at the conjunction point, while further revealing nonmonotonic changes in domain spacing and order–disorder transition as a function of the electrostatic interaction strength. This highlights the dominant roles of entropic and binding effects of counterions under weak and strong ionic correlations, respectively. The location of the ionic junction is found to effectively modulate the charge distribution and chain conformation in the ordered domains; its presence in the middle of a block promotes folding of the block, leading to a smaller domain size. These findings demonstrate the interplay of ionic coupling with steric hindrance and chain end effects, which enhances our understanding of the delicate control over the microphase domain features.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

Structural insights into Lewis acid- and F4TCNQ-doped conjugated polymers by solid-state magnetic resonance spectroscopy

Molecular doping strategies facilitate orders of magnitude enhancement in the charge carrier mobility of organic semiconductors (OSCs). Understanding the different doping mechanisms and molecular-level constraints on doping efficiency related to the material energy levels is crucial to develop versatile dopants for OSCs. Given the compositional and structural heterogeneities associated with OSC thin films, insight into dopant–polymer interactions by long-range techniques such as X-ray scattering and electron microscopy is exceedingly challenging to obtain. This study employs short-range probes, solid-state (ss)NMR and EPR spectroscopy, to resolve local structures and intermolecular interactions between dopants such as F4TCNQ (2,3,5,6-tetrafluoro-7,7,8,8-tetracyanoquinodimethane), Lewis acid BCF (tris[pentafluorophenyl] borane) and Lewis base conjugated polymer, PCPDTBT (P4) (poly[2,6-(4,4-bis(2-hexadecyl)-4H-cyclopenta[2,1-b;3,4-b']dithiophene)-alt-4,7(2,1,3-benzothiadiazole)]). Analysis of 1 H and 13 C ssNMR spectra of P4, P4 : F4TCNQ and P4 : BCF blends indicates that the addition of dopants induces local structural changes in the P4 polymer, and causes paramagnetism-induced signal broadening and intensity losses. The hyperfine interactions in P4 : BCF and P4 : F4TCNQ are characterized by two-dimensional pulsed EPR spectroscopy. For P4 : F4TCNQ, 19 F ssNMR analysis indicates that the F4TCNQ molecules are distributed and aggregated into different local chemical environments. By comparison, BCF molecules are intermixed with the P4 polymer and interact with traces of water molecules to form BCF–water complexes that serve as Brønsted acid sites, as revealed by 11 B ssNMR spectroscopy. These results indicate that the P4–dopant blends exhibit complex morphology with different distributions of dopants, whereby the combined use of ssNMR and EPR provides essential insights into how higher doping efficiency is observed with BCF and a mediocre efficiency is associated with F4TCNQ molecules.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Local lattice distortions and electronic phases in perovskite manganite Pr 0.5 Sr 0.5 MnO 3

We use variable temperature and magnetic field total x-ray scattering to study the crystal structure of the strongly correlated Pr 0.5 Sr 0.5 MnO 3 perovskite, which is a paramagnetic insulator at room temperature, becomes a ferromagnetic metal at 272 K and, upon further decreasing the temperature, turns into an antiferromagnetic insulator at 105 K. We find that a model featuring a monoclinic symmetry captures the structure and its temperature and field evolution well, eliminating the need to evoke a phase segregation scenario as done in prior studies. It appears that coupled variations in Mn–oxygen bonding distances and angles from their values in an undistorted perovskite lattice, i.e., coupled local lattice distortions, assist the phase transitions in Pr 0.5 Sr 0.5 MnO 3 , contributing to its unique physical properties. Local structural distortions thus emerge as an important degree of freedom in strongly correlated systems, in particular perovskite manganates, and, therefore, they should be fully accounted for when their fascinating physics is considered.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Antiferromagnetic character of the quantum phase transition in the Hubbard model on the honeycomb lattice

In this work we provide a unified, comprehensive treatment of all operators that contribute to the antiferromagnetic, ferromagnetic, and charge-density-wave structure factors and order parameters of the hexagonal Hubbard Model. We use the Hybrid Monte Carlo algorithm to perform a systematic, carefully controlled analysis in the temporal Trotter error and of the thermodynamic limit. We expect our findings to improve the consistency of Monte Carlo determinations of critical exponents. We perform a data collapse analysis and determine the critical exponent β = 0.898 (37) for the semimetal-Mott insulator transition in the hexagonal Hubbard Model. Our methods are applicable to a wide range of lattice theories of strongly correlated electrons.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2020

Excluded-volume model for quarkyonic matter: Three-flavor baryon-quark mixture

The single-flavor excluded-volume model based on the effective size of baryons reproduces the hard-soft density evolution of the equation of state (EoS) required by the recent studies of GW170817. This phenomenological model basically realizes the concept of quarkyonic matter which is introduced from large-$N_c$ gauge theory for dense matter. Further, enhanced nucleon interactions and dynamically generated quark degrees of freedom can reproduce the hard-soft evolution of the EoS. In this paper, we extend the excluded-volume model to a three-flavor system by considering electromagnetic charge and possible weak equilibrium in order to obtain a proper description for the hard-soft behavior of the EoS inferred from the gravitational waves observations.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2021

Long Range Community Planning Process for Fusion Sciences and Plasma Physics (Final Technical Report)

This grant facilitated the APS-DPP Community Planning Process (DPP-CPP) which was a strategic planning process with the goals of identifying scientific and technological opportunities in the fields of Plasma Physics and Fusion Energy Science, and making consensus recommendations for a strategy to address these opportunities to the DOE Office of Fusion Energy Science Advisory Committee (FESAC). The DPP-CPP was initiated by the APS-DPP executive committee in order to help FESAC fulfill a charge from DOE to develop a strategic plan for the DOE Office of Fusion Energy Science (FES). In this charge, the DOE Deputy Director for Science, Dr. Stephen Binkley, requests “that the Fusion Energy Sciences Advisory Committee (FESAC) undertake a new long-range strategic planning activity for the Fusion Energy Sciences (FES) program. The strategic planning activity - to encompass the entire FES research portfolio (namely, burning plasma science and discovery plasma science) - should identify and prioritize the research required to advance both the scientific foundation needed to develop a fusion energy source, as well as the broader FES mission to steward plasma science.” The process as set out in the proposal (and below) was successful in meeting all of its stated goals culminating in the final report to the FESAC subcommittee given the charge.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗