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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 OSTI2020

Back-to-back relative-excess observable to identify the chiral magnetic effect

Background: The chiral magnetic effect (CME) is extensively studied in heavy-ion collisions at RHIC and LHC. In the commonly used reaction-plane (RP)-dependent, charge-dependent azimuthal correlator ($Δ_γ$), both the close and back-to-back pairs are included. Many backgrounds contribute to the close pairs (e.g., resonance decays, jet correlations), whereas the back-to-back pairs are relatively free of those backgrounds. Purpose: In order to reduce those backgrounds, we propose a new observable, which only focuses on the back-to-back pairs, namely, the relative back-to-back opposite-sign over same-sign pair excess ($r_{BB}$) as a function of the pair azimuthal orientation with respect to the RP ($φ_{BB}$). Methods: We use analytical calculations and toy model simulations to demonstrate the sensitivity of $r_{BB}(φ_{BB})$ to the CME and its insensitivity to backgrounds. Results: With finite CME, the $φ_{BB}$ distribution of $r_{BB}$ shows a clear characteristic modulation. Its sensitivity to background is significantly reduced compared to the previous $Δ_γ$ observable. The simulation results are consistent with our analytical calculations. Conclusions: In this work, our studies demonstrate that the $r_{BB}(φ_{BB})$ observable is sensitive to the CME signal and rather insensitive to the resonance backgrounds.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2024

Estimate of background baseline and upper limit on the chiral magnetic effect in isobar collisions at $\sqrt{S_{NN}}$=200 GeV at the BNL Relativistic Heavy Ion Collider

For the search of the chiral magnetic effect (CME), STAR previously presented the results from isobar collisions ($^{96}_{44}$Ru + $^{96}_{44}$Ru, $^{96}_{40}$Zr + $^{96}_{40}$Zr) obtained through a blind analysis. The ratio of results in Ru+Ru to Zr+Zr collisions for the CME-sensitive charge-dependent azimuthal correlator (Δ⁢𝛾), normalized by elliptic anisotropy (𝑣2), was observed to be close to but systematically larger than the inverse multiplicity ratio. The background baseline for the isobar ratio, 𝑌= (Δ⁢𝛾/𝑣2) Ru /(Δ⁢𝛾/𝑣2) Zr , is naively expected to be (1/𝑁) Ru /(1/𝑁) Zr ; however, genuine two- and three-particle correlations are expected to alter it. We estimate the contributions to 𝑌 from those correlations, utilizing both the isobar data and hijing simulations. After including those contributions, we arrive at a final background baseline for 𝑌, which is consistent with the isobar data. Here, we extract an upper limit for the CME fraction in the Δ⁢𝛾 measurement of approximately 10% at a 95% confidence level on in isobar collisions at $\sqrt{S_{NN}}$=200 GeV, with an expected 15% difference in their squared magnetic fields.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2020

Topological Superconductivity in the Doped Chiral Spin Liquid on the Triangular Lattice

It has been established that the undoped, i.e., δ = 0 , system has a CSL ground state in the parameter region 0.32 ≤ J χ / J ≤ 0.56 . Upon light doping, we find that the ground state of the system is consistent with a Luther-Emery liquid with power-law superconducting and charge-density-wave correlations but short-range spin-spin correlations. In particular, the superconducting correlations, whose pairing symmetry is consistent with d ± i d wave, are dominant at all hole doping concentrations. Overall, our results provide direct evidences that doping the CSL on the triangular lattice can naturally give rise to topological superconductivity.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2026

Exploring the QCD Phase Diagram

Exploring the QCD phase diagram through relativistic heavy-ion collisions is a primary goal of modern nuclear physics. This contribution focuses on fluctuations and correlations of conserved charges — specifically net-baryon and net-charge cumulants — as sensitive probes of the phase structure and the QCD critical point. We discuss recent theoretical and experimental advancements, highlighting constraints from lattice QCD and new results from the RHIC Beam Energy Scan program. Key challenges in theory-to-experiment comparisons at high baryon density are discussed, alongside the systematic requirements for meaningful physical interpretation. Finally, we identify open issues and outline the discovery potential of future low-energy experiments, such as CBM, in resolving the high-density regime of the phase diagram.

Koch, V. [Lawrence Berkeley National Laboratory (L↗
NASA NTRS1979

Inert gas thrusters

Inert gas thrusters considered for space propulsion systems were investigated. Electron diffusion across a magnetic field was examined utilizing a basic model. The production of doubly charged ions was correlated using only overall performance parameters. The use of this correlation is therefore possible in the design stage of large gas thrusters, where detailed plasma properties are not available. Argon hollow cathode performance was investigated over a range of emission currents, with the positions of the inert, keeper, and anode varied. A general trend observed was that the maximum ratio of emission to flow rate increased at higher propellant flow rates. It was also found that an enclosed keeper enhances maximum cathode emission at high flow rates. The maximum cathode emission at a given flow rate was associated with a noisy high voltage mode. Although this mode has some similarities to the plume mode found at low flows and emissions, it is encountered by being initially in the spot mode and increasing emission. A detailed analysis of large, inert-gas thruster performance was carried out. For maximum thruster efficiency, the optimum beam diameter increases from less than a meter at under 2000 sec specific impulse to several meters at 10,000 sec. The corresponding range in input power ranges from several kilowatts to megawatts.

Kaufman, H. R.↗
NASA NTRS1980

A survey of solar cosmic ray composition 1974-1978

Data on solar particle composition from the Goddard experiment on IMP 8 now spans a period of five years. During this time, detailed abundances and spectra have been obtained for elements through the Fe group and isotopic abundances have been obtained for H and He from a number of the largest flare-associated solar particle events. In the energy range 6.7-15 MeV/nucleon, a systematic enhancement of solar cosmic ray over solar photospheric Na, Mg, Al and Si abundances relative to oxygen is shown to exist in all these large flare events. An additional enhancement of abundances in the elements beyond carbon relative to oxygen that is correlated with atomic charge (or mass) occurs in certain events and produces a variability in Fe/O greater than a factor of 10. Summed over these eight large flares, the Be/O and B/O ratios are shown to be less than 0.0002 and Li/O to be less than 0.001 between 4.2 and 15 MeV/nucleon.

Mcguire, R. E.↗
NASA NTRS1982

On the geometric nature of high energy nucleus-nucleus reaction cross sections

Within the context of a high energy double-folding optical potential approximation to the exact nucleus-nucleus multiple-scattering series, eikonal scattering theory is used to investigate the validity of geometric reaction cross sections in relativistic heavy ion collisions. The potential used includes a finite range interaction and nuclear single-particle densities extracted from nuclear charge distributions by unfolding the finite proton charge distribution. Pauli correlation effects are also included in an approximate way. The sensitivity of the predictions to the assumed interaction, Pauli correlation approximation, and nuclear density distributions is investigated. These results are in agreement with early predictions concerning the geometric nature of relativistic heavy ion collisions and in disagreement with a recent analysis, utilizing the zero range approximation, which suggested otherwise. Reasons for the lack of agreement between the analyses are also presented. Finally, approximate applicability limits for geometric reaction cross sections are determined.

Townsend, L. W.↗
NASA NTRS1985

Soluble minerals in chemical evolution. I - Adsorption of 5-prime-AMP on CaSO4 - A model system

The adsorption of 5-prime-AMP onto solid CaSO4-2H2O was studied in a saturated suspension as a function of pH and electrolyte concentration. The adsorption is pH-dependent and is directly correlated with the charge on the 5-prime-AMP molecule which is determined by the state of protonation of the N-1 nitrogen of the purine ring and the phosphate oxygens. It is proposed that the binding that occurs between the nucleotide and the salt is electrostatic in nature. The adsorption decreases with increasing ionic strength of the solution which means that in a fluctuating environment of wetting and drying cycles, a biomolecule similar to 5-prime-AMP could be expected to desorb during the drying phase. The results indicate that CaSO4-2H2O can serve as a concentrating surface for biomolecules. The significance of this is discussed with regard to the possible role of soluble minerals and their surfaces in a geochemical model consistent with the evolution of the earth and the origin of life.

Orenberg, J. B.↗
NASA NTRS1992

Frequency response measurements in battery electrodes

Electrical impedance spectroscopy was used to investigate the behavior of porous zinc, silver, cadmium, and nickel electrodes. State of charge could be correlated with impedance data for all but the nickel electrodes. State of health was correlated with impedance data for two AgZn cells, one apparently good and the other bad. The impedance data was fit to equivalent circuit models.

Thomas, Daniel L.↗
NASA NTRS1992

Testing and analyses of electrochemical cells using frequency response

The feasibility of electrochemical impedance spectroscopy as a method for analyzing battery state of health and state of charge was investigated. Porous silver, zinc, nickel, and cadmium electrodes as well as silver/zinc cells were studied. State of charge could be correlated with impedance data for all but the nickel electrodes. State of health was correlated with impedance data for two silver/zinc cells, one apparently good and the other dead. The experimental data were fit to equivalent circuit models.

Norton, O. A., Jr.↗
NASA NTRS2001

Dipole potentials indicate restructuring of the membrane interface induced by gadolinium and beryllium ions

The dipole component of the membrane boundary potential, phi(d), is an integral parameter that may report on the conformational state of the lipid headgroups and their hydration. In this work, we describe an experimental approach to measurements of the dipole potential changes, Deltaphi(d), and apply it in studies of Be(2+) and Gd(3+) interactions with membranes composed of phosphatidylserine (PS), phosphatidylcholine (PC), and their mixtures. Deltaphi(d) is determined as the difference between the changes of the total boundary potential, phi(b), measured by the IFC method in planar lipid membranes and the surface potential, phi(s), determined from the electrophoretic mobility of liposomes. The Gouy-Chapman-Stern formalism, combined with the condition of mass balance, well describes the ion equilibria for these high-affinity cations. For the adsorption of Be(2+) and Gd(3+) to PC membranes, and of Mg(2+) to PS membranes, the values of Deltaphi(b) and Deltaphi(s) are the same, indicative of no change of phi(d). Binding of Gd(3+) to PS-containing membranes induces changes of phi(d) of opposite signs depending on the density of ionized PS headgroups in the bilayer. At low density, the induced Deltaphi(d) is negative (-30 mV), consistent with the effect of dehydration of the surface. At maximal density (pure PS, neutral pH), adsorption of Be(2+) or Gd(3+) induces an increase of phi(d) of 35 or 140 mV, respectively. The onset of the strong positive dipole effect on PS membranes with Gd(3+) is observed near the zero charge point and correlates with a six-fold increase of membrane tension. The observed phenomena may reflect concerted reorientation of dipole moments of PS headgroups as a result of ion adsorption and lipid condensation. Their possible implications to in-vivo effects of these high-affinity ions are discussed.

Non-NASA Center↗
DOE OSTI2026

Dynamical correlations and nonequilibrium sum rules in photodoped Hubbard ladders

Using matrix product state techniques we study the nonequilibrium dynamical response of the half-filled Hubbard ladder when subject to an optical pump. Optical pumping offers a way of producing and manipulating new strongly correlated phenomena by suppressing existing magnetic correlations. The ladder allows the effects of pump directionality to be investigated, and compared to a single chain it has strong spin-charge coupling and a fully gapped excitation spectrum, promising different nonequilibrium physics. We compute time-dependent correlations, including the nonequilibrium dynamical structure factors for spin and charge. By deriving a combined spin-charge sum rule that applies both in and out-of-equilibrium, we show that spectral weight is pumped directly from the antiferromagnetic spin response into a low energy 𝜔 ∼ 0 charge response below the Mott gap. The transfer of weight is pump direction dependent: pumping directed along the legs disrupts magnetic correlations more than pumping in the rung-direction, even if the post-pump energy density is similar. The charge correlation length is dramatically enhanced by the pump, whilst the spin correlations are most strongly suppressed at nearest- and next-nearest-neighbor spacings. After the pump the system is in a nonthermal correlated metallic state, with gapless charge excitations and approximately equal spin and charge correlation lengths, emphasizing the importance of treating these degrees of freedom on an equal footing in nonequilibrium systems.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Monte Carlo event generator for initial conditions of conserved charges in nuclear geometry

At top collider energies where baryon stopping is negligible, the initial state of heavy-ion collisions is overall charge neutral and predominantly composed of gluons. Nevertheless, there can also be significant local fluctuations of the baryon number, strangeness, and electric charge densities about zero, perturbatively corresponding to the production of quark/antiquark pairs. These previously ignored local charge fluctuations can permit the study of charge diffusion in the quark-gluon plasma (QGP), even at top collider energies. In this paper we present a new model denoted ICCING (initial conserved charges in nuclear geometry) which can reconstruct the initial conditions of conserved charges in the QGP by sampling a (g→q¯q) splitting probability over the initial energy density. We find that the new charge distributions generally differ from the bulk energy density; in particular, the strangeness distribution is significantly more eccentric than standard bulk observables and appears to be associated with the geometry of hot spots in the initial state. The new information provided by these conserved charges opens the door to studying a wealth of new charge- and flavor-dependent correlations in the initial state and ultimately the charge transport parameters of the QGP.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2025

Co‐Doping Approach for Enhanced Electron Extraction to TiO 2 for Stable Inorganic Perovskite Solar Cells

Inorganic perovskite CsPbI 3 solar cells hold great potential for improving the operational stability of perovskite photovoltaics. However, electron extraction is limited by the low conductivity of TiO 2 , representing a bottleneck for achieving stable performance. In this study, a co‐doping strategy for TiO 2 using Nb(V) and Sn(IV), which reduces the material's work function by 80 meV compared to Nb(V) mono‐doped TiO 2 , is introduced. To gain fundamental understanding of the processes at the interfaces between the perovskite and charge‐selective layer, transient surface photovoltage measurements are applied, revealing the beneficial effect of the energetic and structural modification on electron extraction across the CsPbI 3 /TiO 2 interface. Using 2D drift‐diffusion simulations, it is found that co‐doping reduces the interface hole recombination velocity by two orders of magnitude, increasing the concentration of extracted electrons by 20%. When integrated into n–i–p solar cells, co‐doped TiO 2 enhances the projected T S80 lifetimes under continuous AM1.5G illumination by a factor of 25 compared to mono‐doped TiO 2 . This study provides fundamental insights into interfacial charge extraction and its correlation with operational stability of perovskite solar cells, offering potential applications for other charge‐selective contacts.

14 SOLAR ENERGY↗
DOE OSTI2025

Polaron Delocalization and Transport in Doped Graphene Nanoribbon Thin Films

Graphene nanoribbons (GNRs) are quantum-confined π-conjugated monolayer semiconductors with attractive properties for optoelectronic applications. However, the ground- and excited-state properties of charge carriers in GNRs are still poorly understood, particularly with regards to the coupling between charges and the GNR lattice and the degree to which this coupling impacts local and macroscopic charge transport. To address this issue, we systematically correlate carrier density-dependent charge transport with spectroscopic modulations in chemically doped thin films of armchair graphene nanoribbons (9-aGNRs). This study combines Fourier transform infrared (FTIR) and ultraviolet−visible−near-infrared (UV−vis−NIR) spectroscopy with both local and macroscopic conductivity measurements to arrive at a full and self-consistent picture of transport in doped GNR thin films. Using three different molecular p-type dopants (i.e., oxidants), we demonstrate that hole polarons are the dominant quasi-particle determining charge transport in GNRs and that the degree of polaron delocalization depends sensitively on the dopant and the hole density. For all three dopants, the local conductivity probed by microwave spectroscopy substantially exceeds the long-range conductivity obtained by four-point probe measurements. Interestingly, the dopant size substantially influences charge transport at high hole densities. We ascribe this effect to different propensities for forming bipolarons with lower mobilities than polarons. Comparison of GNR transport and spectral properties to other prototypical π-conjugated semiconductors (e.g., semiconducting polymers or carbon nanotubes) benchmark the charge transport properties of GNR thin films for optoelectronic devices and applications.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2022

A first-principles investigation of point defect structure and energetics in ThO 2

The structure and energetics of charged point defects in thorium dioxide (ThO 2 ) have been investigated using the density functional theory (DFT) and phonon simulations. DFT simulations were performed under both zero-pressure and constant volume conditions. Termed as the free volume change of the point defects, the change in volume of the supercell has been computed in the zero-pressure case. Supercell expansion was observed with the increase of the (nominal) charge state of anion (O) interstitials and cation (Th) vacancies from neutral to its maximum. On the contrary, contraction of the supercell has been observed with anion vacancies and cation interstitials as the defect charge increases. The supercell volume change with respect to the charge state has been correlated with the resulting defect energetics. It has been observed that, as the defect charge increased, the internal energy and entropy of defect formation of the cation vacancies and anion interstitials were found to increase, while that of the cation interstitials and anion vacancies decreased. Here, the temperature dependence of internal energy and entropy has also been examined. It was found that, as the temperature increases, the internal energies of the formation of cation vacancies and anion interstitials decrease, while those of the cation interstitials and anion vacancies increase. An opposite observation is seen for the entropies of formation defects when above room temperatures.

42 ENGINEERING↗
DOE OSTI2021

Importance of charge self-consistency in first-principles description of strongly correlated systems

First-principles approaches have been successful in solving many-body Hamiltonians for real materials to an extent when correlations are weak or moderate. As the electronic correlations become stronger often embedding methods based on first-principles approaches are used to better treat the correlations by solving a suitably chosen many-body Hamiltonian with a higher level theory. The success of such embedding theories, often referred to as second-principles, is commonly measured by the quality of self-energy Σ which is either a function of energy or momentum or both. However, Σ should, in principle, also modify the electronic eigenfunctions and thus change the real space charge distribution. While such practices are not prevalent, some works that use embedding techniques do take into account these effects. In such cases, choice of partitioning, of the parameters defining the correlated Hamiltonian, of double-counting corrections, and the adequacy of low-level Hamiltonian hosting the correlated subspace hinder a systematic and unambiguous understanding of such effects. Further, for a large variety of correlated systems, strong correlations are largely confined to the charge sector. Then an adequate nonlocal low-order theory is important, and the high-order local correlations embedding contributes become redundant. Here we study the impact of charge self-consistency within two example cases, TiSe 2 and CrBr 3 , and show how real space charge re-distribution due to correlation effects taken into account within a first-principles Green’s function-based many-body perturbative approach is key in driving qualitative changes to the final electronic structure of these materials.

36 MATERIALS SCIENCE↗