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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 235 records · Page 13
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

Imaging local discharge cascades for correlated electrons in WS 2 /WSe 2 moiré superlattices

Transition metal dichalcogenide moiré heterostructures provide an ideal platform to explore the extended Hubbard model, where long-range Coulomb interactions play a critical role in determining strongly correlated electron states. This has led to experimental observations of Mott insulator states at half filling as well as a variety of extended Wigner crystal states at different fractional fillings. However, a microscopic understanding of these emerging quantum phases is still lacking. Here we describe a scanning tunnelling microscopy (STM) technique for the local sensing and manipulation of correlated electrons in a gated WS 2 /WSe 2 moiré superlattice, which enables the experimental extraction of fundamental extended Hubbard model parameters. We demonstrate that the charge state of the local moiré sites can be imaged by their influence on the STM tunnelling current. In addition to imaging, we are also able to manipulate the charge state of correlated electrons. When we ramp the bias on the STM tip, there is a local discharge cascade of correlated electrons in the moiré superlattice, which allows us to estimate the nearest-neighbour Coulomb interaction. Two-dimensional mapping of the moiré electron charge states also enables us to determine the on-site energy fluctuations at different moiré sites. Furthermore, our technique should be broadly applicable to many semiconductor moiré systems, offering a powerful tool for the microscopic characterization and control of strongly correlated states in moiré superlattices.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Critical role of structural order in bipolar redox-active molecules for organic redox flow batteries

Bipolar redox-active molecules (BRMs) have been suggested as a means to address crossover related issues in all-organic redox flow batteries (RFBs). In such species, electron donors (anolytes) and electron acceptors (catholytes) are linked by a chain, and the same chemical composition is used in both anode and cathode compartments to reduce chemical gradients and unbalanced ion transport. The resultant RFBs resemble the aqueous vanadium RFBs, but offer greater design flexibility and potentially more favorable electrochemical and physicochemical properties. Yet the complex trade-offs in these properties have been a complication. Here we developed a fundamental rubric to uncover the likely origins in the performance metrics of these BRMs that are salient for their use in RFBs. Methylene linked phenothiazine and phthalimide moieties were employed as model BRMs and variations in their properties and molecular conformations were evaluated by systematically varying the methylene linker. Our results revealed that even minimalistic changes in the linker length resulted in dramatic oscillations in the solubility and stability. Using crystallography, quantum chemistry, and molecular dynamics, we clarify that the seemingly fluctuating behavior is due to (1) the inter- and intra-molecular charge transfer between the donor and acceptor through bond or/and through space; (2) the formation of distinctive packing/clustering motifs. Both interactions are strongly dependent on the molecular conformation. As these structural factors modify the electronic structure of both electroactive functional groups and do not change monotonically, the structure–property response in BRMs is often complex. Finally, accordingly, these behaviors need to be taken into account in developing BRMs and knowledge of these structural factors will allow the more rational design of BRMs for grid-scale energy storage.

25 ENERGY STORAGE↗
DOE OSTI2023

Multiparticle correlations, cumulants, and moments sensitive to fluctuations in rare-probe azimuthal anisotropy in heavy ion collisions

Correlations of two or more particles have been an essential tool for understanding the hydrodynamic behavior of the quark-gluon plasma created in ultrarelativistic nuclear collisions. In this work, we extend that framework to introduce a mathematical construction of multiparticle correlators that utilize correlations between arbitrary numbers of particles of interest (e.g., particles selected for their strangeness, heavy flavor, and conserved charges) and inclusive reference particles to estimate the azimuthal anisotropies of rare probes. To estimate the fluctuations and correlations in the azimuthal anisotropies of these particle of interest, we use these correlators in a system of cumulants, raw moments, and central moments. Finally, we introduce two classes of observables that can compare the fluctuations in the azimuthal anisotropies of particles of interest with reference particles at each order.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2021

Soft pions and transport near the chiral critical point

During the expansion of a heavy ion collision, the system passes close to the $\textit{O}$(4) critical point of QCD, and thus the fluctuations of the order parameter $(σ, \overrightarrow{π}$) are expected to be enhanced. In this work, our goal is to compute how these enhanced fluctuations modify the transport coefficients of QCD near the pseudocritical point. We also make a phenomenological estimate for how chiral fluctuations could effect the momentum spectrum of soft pions. We first formulate the appropriate stochastic hydrodynamic equations close to the $\textit{O}$(4) critical point. Then, working in mean field, we determine the correlation functions of the stress tensor and the currents which result from this stochastic real-time theory, and use these correlation functions to determine the scaling behavior of the transport coefficients. The hydrodynamic theory also describes the propagation of pion waves, fixing the scaling behavior of the dispersion curve of soft pions. We present scaling functions for the shear viscosity and the charge conductivities near the pseudocritical point and estimate the absolute magnitude of the critical fluctuations to these parameters and the bulk viscosity. Using the calculated pion dispersion curve, we estimate the expected critical enhancement of soft pion yields, and this estimate provides a plausible explanation for the excess seen in experiment relative to ordinary hydrodynamic computations. Our results motivate further phenomenological and numerical work on the implications of chiral symmetry on real-time properties of thermal QCD near the pseudocritical point.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2020

Nonstatistical fluctuations in the 35 Cl(n,p) 35 S reaction cross section at fast-neutron energies from 0.6 to 6 MeV

The lack of experimental data on the 35 Cl(n,p) 35 S reaction above 100 keV has led to nuclear data evaluations that are relatively unconstrained at fast neutron energies. As a result, efforts to explore, develop, and potentially certify next generation reactor designs that incorporate chloride salts as a coolant material have been hindered. Here, we report partial cross section data for the 35 Cl(n,p) 35 S and 35 Cl(n,α) 32 P reactions at incident neutron energies between 0.6 MeV and 6 MeV. The measurement was performed using the pulsed beam of neutrons at the unmoderated WNR spallation neutron source at the Los Alamos Neutron Science Center, with the outgoing charged particles detected by the LENZ experimental setup, consisting of annular silicon detectors. Nonstatistical fluctuations in the 35 Cl(n,p 0 ) cross section were observed up to around 3 MeV, and the magnitude of the cross section was systematically lower than all available data evaluations at energies above 1 MeV. Modifications to the ENDF/B-VIII.0 data evaluation are suggested to better reproduce the energy averaged experimental data.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2022

Accessing subnuclear fluctuations and saturation with multiplicity dependent J/ψ production in p+p and p+Pb collisions

We study the production of J/ψ vector mesons as a function of charged hadron multiplicity in p+p and p+Pb collisions at LHC energies. We employ the color glass condensate framework, using running coupling Balitsky-Kovchegov evolved dipole amplitudes, to compute gluon and cc¯-pair production. We use fragmentation functions to obtain charged hadrons, and explore two different hadronization schemes for the J/ψ: non-relativistic quantum chromodynamics and the improved color evaporation model. In our framework, event-by-event multiplicity fluctuations of both hadrons and J/ψ are driven by geometric and saturation scale normalization fluctuations. Studying the correlation between J/ψ and hadron multiplicity, we show that the characteristic difference between forward and backward rapidity in p+Pb collisions is a result of different degrees of saturation probed at different rapidities. We demonstrate that experimental data on heavy-flavor production as a function of event activity provide stringent constraints on the fluctuating proton structure

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2022

Low-Frequency Correlated Charge-Noise Measurements Across Multiple Energy Transitions in a Tantalum Transmon

Transmon qubits fabricated with tantalum metal have been shown to possess energy relaxation times greater than 400 𝜇⁢s and, as such, present an attractive platform for high precision, correlated noise studies across multiple higher-energy transitions. Tracking the multilevel fluctuating qudit frequencies with a precision enabled by the high coherence of the device allows us to extract the charge offset and quasiparticle dynamics. We observe qualitatively different charge-offset behavior in the tantalum device than those measured in previous low-frequency charge-noise studies. In particular, we find the charge-offset dynamics are dominated by rare, discrete jumps between a finite number of quasistationary charge configurations, a previously unobserved charge-noise process in superconducting qubits.

3-dimensional systems↗
DOE OSTI2022

Electron spin coherence on a solid neon surface

We report a single electron floating on the surface of a condensed noble-gas liquid or solid can act as a spin qubit with ultralong coherence time, thanks to the extraordinary purity of such systems. Previous studies suggest that the electron spin coherence time on a superfluid helium (He) surface can exceed 100 s. In this paper, we present theoretical studies of the electron spin coherence on a solid neon (Ne) surface, motivated by our recent experimental realization of single-electron charge qubit on solid Ne. The major spin decoherence mechanisms investigated include the fluctuating Ne diamagnetic susceptibility due to thermal phonons, the fluctuating thermal current in normal metal electrodes, and the quasi-statically fluctuating nuclear spins of the 21 Ne ensemble. We find that at a typical experimental temperature about 10 mK in a fully superconducting device, the electron spin decoherence is dominated by the third mechanism via electron–nuclear spin–spin interaction. For natural Ne with 2700 ppm abundance of 21 Ne, the estimated inhomogeneous dephasing time ${T}_{2}^{*}$ is around 0.16 ms, already better than most semiconductor quantum-dot spin qubits. For commercially available, isotopically purified Ne with 1 ppm of 21 Ne, ${T}_{2}^{*}$ can be 0.43 s. Under the application of Hahn echoes, the coherence time T 2 can be improved to 30 ms for natural Ne and 81 s for purified Ne. Therefore, the single-electron spin qubits on solid Ne can serve as promising new spin qubits.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2023

Emergence of quantum-field theory in causal diamonds

The experimental successes of quantum-field theory do not justify using it to describe even a finite fraction of the entanglement entropy of a causal diamond with its exterior, in the limit of large diamonds. Susskind and Uglum and Jacobson conjectured that this divergent entropy could be thought of as a renormalization of Newton’s constant in the Bekenstein–Hawking formula, if we applied that formula to arbitrary causal diamonds. Jacobson showed that this leads to a derivation of the null projection of Einstein’s equations as the hydrodynamic equations of the area law for arbitrary diamonds, a derivation which has the added virtue of demonstrating that the cosmological constant is not an energy density. Using a gauge choice adapted to causal diamond boundaries, we revisit arguments of Carlip and Solodukhin that the proper theory of near horizon states is a (cut-off) (1 + 1)-dimensional conformal field theory, with central charge proportional to the transverse area. This leads to a universal formula for fluctuations of the modular Hamiltonian of a diamond, which we argue is compatible with the explanation of the temperature of de Sitter space in terms of an identification between localized energy and the number of constrained q-bits of the holographic degrees of freedom.

Astronomy & Astrophysics↗
DOE OSTI2025

Tearing-mediated Alfvénic Turbulence in a Relativistic Plasma

In astrophysical relativistic plasmas, Alfvénic turbulence exists across a wide range of scales. Similar to a nonrelativistic case, this turbulence can be influenced by the tearing instability. We argue that in an ultrarelativistic pair plasma the tearing effects become significant at the critical scale given by ${a}_{t}\sim {d}_{\mathrm{rel}}{\left({L}_{\perp }/{d}_{\mathrm{rel}}\right)}^{n/(4+5n)}$, where L ⊥ represents the outer scale of the turbulence and d rel the relativistic electron inertial scale. Here n = 1 corresponds to the Harris magnetic configurations, while n = 2 applies to localized (non-Harris) magnetic profiles of turbulence-generated current sheets. Below the critical scale, the energy spectrum of magnetic fluctuations steepens to W(k)dk ∝ k -(7n+2)/3n dk. However, this happens only when $\tilde{\sigma }\ll {\left({L}_{\perp }/{d}_{\mathrm{rel}}\right)}^{(2+4n)/(4+5n)}$, where $\tilde{\sigma }$ is the magnetization parameter based on the magnetic fluctuations. If the opposite inequality holds, the Alfvénic cascade is instead affected by charge starvation at scales below ${a}_{\mathrm{ch}}\sim {d}_{\mathrm{rel}}{\left({d}_{\mathrm{rel}}/{L}_{\perp }\right)}^{1/3}{\tilde{\sigma }}^{2/3}$, and the energy spectrum becomes steeper than W(k)dk ∝ k -3 dk. When d rel is replaced by its nonrelativistic equivalent, our results agree with the nonrelativistic analysis of N. F. Loureiro & S. Boldyrev (2018). In the Harris case n = 1, they agree with the recent relativistic studies by I. Demidov & Y. Lyubarsky.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2024

How Rigid Are Anthranilamide Molecular Electrets?

As important as molecular electrets are for electronic materials and devices, conformational fluctuations strongly impact their macrodipoles and intrinsic properties. Herein, we employ molecular dynamics (MD) simulations with the polarizable charge equilibrium (PQEq) method to investigate the persistence length (L P ) of molecular electrets composed of anthranilamide (Aa) residues. The PQEq-MD dissipates the accepted static notions about Aa macromolecules, and L P represents the shortest Aa rigid segments. The classical model with a single L P value does not describe these oligomers. Introducing multiple L P values for the same macromolecule follows the observed trends and discerns the enhanced rigidity in their middle sections from the reduced stiffness at their terminal regions. Furthermore, L P distinctly depends on solvent polarity. The Aa oligomers maintain extended conformations in nonpolar solvents with L P exceeding 4 nm, while in polar media, increased conformational fluctuations reduce L P to about 2 nm. These characteristics set key guidelines about the utility of Aa conjugates for charge-transfer systems within organic electronics and energy engineering.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

Bayesian reconstruction of anisotropic flow fluctuations at fixed impact parameter

The cumulants of the distribution of anisotropic flow are measured accurately in Pb+Pb collisions at the LHC as a function of centrality classifiers (charged multiplicity and/or transverse energy). Using Bayesian inference, we reconstruct from these measurements the probability distribution of anisotropic flow in the ``theorists' frame'' where the impact parameter has a fixed magnitude and orientation, up to ∼70% centrality. The variation of flow fluctuations with impact parameter displays direct evidence of viscous damping, which is larger for higher Fourier harmonics, in line with expectations from hydrodynamics. We use intensive measures of non-Gaussian flow fluctuations, which have reduced dependence on centrality. Here, we infer from ATLAS data the magnitude of these intensive non-Gaussianities in each Fourier harmonic. They provide data-driven estimates of response coefficients to initial anisotropies, without resorting to any specific microscopic model of initial conditions. These estimates agree with viscous hydrodynamic calculations.

Bayesian methods↗
DOE OSTI2020

Beam energy dependence of net- Λ fluctuations measured by the STAR experiment at the BNL Relativistic Heavy Ion Collider

The measurements of particle multiplicity distributions have generated considerable interest in understanding the fluctuations of conserved quantum numbers in the quantum chromodynamics (QCD) hadronization regime, in particular near a possible critical point and near the chemical freeze-out. Net-protons and net-kaons have been used as proxies for the net-baryon number and net-strangeness, respectively. We report the measurement of efficiency- and centrality-bin width-corrected cumulant ratios (C 2 /C 1 , C 3 /C 2 ) of net- Λ distributions, in the context of both strangeness and baryon number conservation, as a function of collision energy, centrality, and rapidity. The results are for Au + Au collisions at five beam energies ( √s NN = 19.6 , 27, 39, 62.4, and 200 GeV) recorded with the Solenoidal Tracker at RHIC (STAR). We compare our results to the Poisson and negative binomial (NBD) expectations, as well as to ultrarelativistic quantum molecular dynamics (UrQMD) and hadron resonance gas (HRG) model predictions. Both NBD and Poisson baselines agree with data within the statistical and systematic uncertainties. UrQMD describes the measured net- Λ C 1 and C 3 at 200 GeV reasonably well but deviates from C 2 , and the deviation increases as a function of collision energy. The ratios of the measured cumulants show no features of critical fluctuations. The chemical freeze-out temperatures extracted from a recent HRG calculation, which was successfully used to describe the net-proton, net-kaon, and net-charge data, indicate Λ freeze-out conditions similar to those of kaons. However, large deviations are found when comparing with temperatures obtained from net-proton fluctuations. The net- Λ cumulants show a weak but finite dependence on the rapidity coverage in the acceptance of the detector, which can be attributed to quantum number conservation.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2022

Machine Learning Guided Synthesis of Flash Graphene

Advances in nanoscience have enabled the synthesis of nanomaterials, such as graphene, from low-value or waste materials through flash Joule heating. Though this capability is promising, the complex and entangled variables that govern nanocrystal formation in the Joule heating process remain poorly understood. In this work, machine learning (ML) models are constructed to explore the factors that drive the transformation of amorphous carbon into graphene nanocrystals during flash Joule heating. An XGBoost regression model of crystallinity achieves an r 2 score of 0.8051 ± 0.054. Feature importance assays and decision trees extracted from these models reveal key considerations in the selection of starting materials and the role of stochastic current fluctuations in flash Joule heating synthesis. Furthermore, partial dependence analyses demonstrate the importance of charge and current density as predictors of crystallinity, implying a progression from reaction-limited to diffusion-limited kinetics as flash Joule heating parameters change. Finally, a practical application of the ML models is shown by using Bayesian meta-learning algorithms to automatically improve bulk crystallinity over many Joule heating reactions. Furthermore, these results illustrate the power of ML as a tool to analyze complex nanomanufacturing processes and enable the synthesis of 2D crystals with desirable properties by flash Joule heating.

01 COAL, LIGNITE, AND PEAT↗
DOE OSTI2025

System size and energy dependence of the mean transverse momentum fluctuations at the LHC

Event-by-event fluctuations of the event-wise mean transverse momentum, $\langle$p T $\rangle$, of charged particles produced in proton–proton (pp) collisions at $\sqrt{s}$ = 5.02 TeV, Xe–Xe collisions at $\sqrt{s_{NN}}$ = 5.44 TeV, and Pb–Pb collisions at $\sqrt{s_{NN}}$ = 5.02 TeV are studied using the ALICE detector based on the integral correlator $\langle$$\langle$Δp T Δp T $\rangle$$\rangle$. The correlator strength is found to decrease monotonically with increasing produced charged-particle multiplicity measured at midrapidity in all three systems. In Xe–Xe and Pb–Pb collisions, the multiplicity dependence of the correlator deviates significantly from a simple power-law scaling as well as from the predictions of the HIJING and AMPT models. The observed deviation from power-law scaling is expected from transverse radial flow in semicentral to central Xe–Xe and Pb–Pb collisions. In pp collisions, the correlation strength is also studied by classifying the events based on the transverse spherocity, S 0 , of the particle production at midrapidity, used as a proxy for the presence of a pronounced back-to-back jet topology. Low-spherocity (jetty) events feature a larger correlation strength than those with high spherocity (isotropic). The strength and multiplicity dependence of jetty and isotropic events are well reproduced by calculations with the PYTHIA 8 and EPOS LHC models.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2021

Direct observation of the quantum fluctuation driven amplitude mode in a microcavity polariton condensate

The Higgs amplitude mode is a collective excitation studied and observed in a broad class of matter, including superconductors, charge density waves, antiferromagnets, 3He p-wave superfluid, and ultracold atomic condensates. In all the observations reported thus far, the amplitude mode was excited by perturbing the condensate out of equilibrium. Studying an exciton-polariton condensate, here, we report the observation of this amplitude mode purely driven by intrinsic quantum fluctuations without such perturbations. By using an ultrahigh quality microcavity and a Raman spectrometer to maximally reject photoluminescence (PL) from the condensate, we observe weak but distinct PL at energies below the condensate emission. We identify this as the so-called ghost branches of the amplitude mode arising from quantum depletion of the condensate into this mode. These energies, as well as the overall structure of the PL spectra, are in good agreement with our theoretical analysis.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2023

Pre-equilibrium evolution of conserved charges with initial conditions in the ICCING Monte Carlo event generator

Heavy-ion collisions can be well described through relativistic viscous hydrodynamics, but questions still remain when hydrodynamics is applicable because the initial state may begin very far from equilibrium. Thus, a pre-equilibrium evolution phase is used to bridge the gap between the initial state and hydrodynamics. KøMPøST is one such pre-equilibrium model that propagates the energy-momentum tensor by decomposing it into the background and fluctuations around that background, whose evolution is captured by Green's functions. We extend this formalism to include conserved charges and calculate the corresponding nonequilibrium Green's functions in the relaxation-time approximation. The ICCING algorithm initializes conserved charges in the initial state by sampling $g$ → $q$$\overline{q}$ splitting probabilities and is, thus, perfectly positioned to implement Green's functions for charge propagation. As a result, we show that this method alters the initial-state charge geometries and is applicable in central to mid-central collisions.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2024

Heavy ion beam probe for Wendelstein 7-X measurement capabilities as projected through its design

A heavy ion beam probe (HIBP) diagnostic is being developed for studies of plasma equilibrium and turbulence in the optimized Wendelstein 7-X (W7-X) stellarator. Operation of W7-X has experimentally demonstrated that its optimized magnetic field results in improved neoclassical particle confinement and, as a result, turbulence is the predominant cause of energy transport. The HIBP will have the unique ability to provide experimental data needed to complement models of both neoclassical and turbulent transport. It will acquire direct measurements in the W7-X plasma interior of the electric potential (needed for understanding ambipolar particle flux) and fluctuations of electron density and potential (needed for understanding turbulence). The HIBP for W7-X will inject singly charged ion beams with energies of up to 2 MeV and is designed to access the upper cross section of the W7-X plasma. We use trajectory simulations to illustrate the plasma coverage that the diagnostic can achieve in the reference magnetic configurations of W7-X. We calculate beam signal levels, discuss anticipated measurement sensitivity of broadband fluctuations of electron density and plasma potential, and show how they depend on plasma density. We also discuss the diagnostic sensitivity to equilibrium plasma potential.

Instruments & Instrumentation↗