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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 775 records · Page 43
All sourcesNASA NTRSDOE OSTI
DOE OSTI2019

An efficient correlation for heat and mass transfer effectiveness in tumble-type clothes dryer drums

A heat and mass transfer effectiveness definition relevant to clothes dryers is developed in this work. A correlation is presented for determining the effectiveness of heat and mass transfer in a horizontal-axis, tumble-type clothes dryer drum with axial airflow. The correlation is a function of four measurable quantities: air mass flow rate, cloth mass, air mass in the drum, and the fall time experienced by a cloth falling the full height (i.e. diameter) of the drum. The Buckingham Pi Theorem is applied to the problem in order to derive dimensionless terms upon which the effectiveness depends. Empirical data from several dryers are used to derive an empirical correlation as a function of the dimensionless variables. Three cloth types were investigated, and a separate empirical correlation is proposed for each. Accordingly, the drum effectiveness concept and the correlation presented provide a new, more accurate, computationally efficient, and readily implemented framework for modeling and simulating clothes dryers. It is relevant to conventional gas and electric clothes drying appliances, vapor compression heat pump dryers, and thermoelectric heat pump clothes dryers. Along with appropriate empirical inputs, the framework is extensible to any thermal-evaporative cloth drying systems, including radial-flow horizontal axis tumble drying drums.

42 ENGINEERING↗
DOE OSTI2020

A review of coal heating value correlations with application to coal char, tar, and other fuels

Accurately measuring a fuel’s heating value is one of the first steps in the classification of a new fuel. Heating values are widely used in coal combustion research and are becoming more useful in other fuel types as well. Many different empirical correlations to predict heating values based on primary organic (CHONS) elemental composition are found in the literature, many of which were originally created to predict heating values of parent coal, and some of which have been extended for biomass. However, no correlations exist for heating values of coal chars and tars. Thirteen literature heating value correlations (10 model forms with 13 unique sets of coefficients) were evaluated for their predictive accuracy of a wide variety of fuel types, including 353 coals. This comparative analysis showed that the predictive capabilities of many of these literature models are very similar for coal-based fuels, with good correlation of coal char heating values. Correlation of coal tar heating values was hampered by the lack of heating value data. The choice of which model to use becomes more important for biomass fuels as well as for more unique fuel types like propellants and explosives, municipal solid waste, etc. Finally, the best model forms for each fuel type are suggested based on several statistical measures of fit.

01 COAL, LIGNITE, AND PEAT↗
DOE OSTI2022

An improved pressure drop correlation for modeling localized effects in a pebble bed reactor

Advances in the development of pebble bed reactors (PBRs) has created a desire for accurate and cost-effective simulation tools for design scoping studies and safety analysis. The current state-of-the-art for these simulations is the use of porous media models, although these models rely on correlations to capture the effects of flow features that are not explicitly modeled. One of the areas where correlation accuracy is currently lacking is in the near-wall region of the bed. In this region, the presence of the wall causes the pebbles to pack more orderly, drastically changing the geometry and flow behavior in this region. This work presents a new generalized pressure drop correlation for PBRs based on the KTA equation. A high-to-low methodology is applied, where large eddy simulation (LES) is performed on two beds of 1568 and 1700 pebbles to generate a high-fidelity dataset. The flow fields are then averaged in time and separated into concentric rings of 0.05 D peb width. Average porosity, velocity, and pressure drop are extracted for each ring and the friction and form losses are calculated. The Reynolds number range for this study is 625–10,000, and thus the form losses are dominant over the friction losses. The form losses across the rings are investigated, and a correction term for the form loss calculation is determined and applied to the KTA equation to drastically improve the capability of modeling localized porosity effects in a porous media code. Finally, the improved correlation reduces near-wall velocity prediction error from over 50% with the KTA correlation to around 5%. Agreement in pressure drop prediction between LES and porous media simulations is also improved.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2019

Non-flow effects in three-particle mixed-harmonic azimuthal correlations in small collision systems

The Multi-particle technique has been used to unravel the nature of the long-range collectivity in small collision systems. A large three-particle mixed-harmonic correlation signal was recently observed by the ATLAS Collaboration, but the role of non-flow correlations is not yet studied. We estimate the influence of non-flow correlations to the three-particle correlators in pp and p +Pb collisions using PYTHIA and HIJING models, and compare with the ATLAS results. The large non-flow effects from the jet and dijet production is found to be largely suppressed in p +Pb collisions using the subevent cumulant method by calculating the azimuthal correlation between two or more longitudinal pseudorapidity ranges. Depending on the experimental subevent method, however, the non-flow effects may still be significant in pp collisions.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2025

Studying charm hadronisation into baryons with azimuthal correlations of Λ$^+_c$ with charged particles in pp collisions at $\sqrt{𝑠}$ = 13 TeV

The distribution of angular correlations between prompt charm hadrons and primary charged particles in pp collisions is sensitive to the charm-quark hadronisation process. In this letter, charm-baryon correlations are measured for the first time by studying the azimuthal-angle difference between charged particles and prompt Λ$^+_c$ baryons produced in pp collisions at a centre-of-mass energy of $\sqrt{𝑠}$ = 13 TeV, with the ALICE detector. Λ$^+_c$ baryons are reconstructed at midrapidity (|𝑦| < 0.5) in the transverse-momentum interval 3 < 𝑝 T < 16 GeV/𝑐, and correlated with charged particles with 𝑝 T > 0.3 GeV/𝑐 and pseudorapidity |𝜂| < 0.8. For 3 < 𝑝$^{Λ{^{+}_{c} ,D}}_{T}$ < 5 GeV/𝑐, the comparison with published measurements of D-meson and charged-particle correlations in the same collision system hints at a larger number of low-momentum particles associated with Λ$^+_c$-baryon triggers than with D-meson triggers, both in the collinear and opposite directions with respect to the trigger particle. These differences can be quantified by the comparison of the properties of the near- and away-side correlation peaks, and are not reproduced by predictions of various Monte Carlo event generators, generally underpredicting the associated particle yields at 𝑝$^{assoc}_{T}$ < 1 GeV/𝑐. This tension between Λ$^+_c$-baryon and D-meson associated peak yields could suggest a modified fragmentation of the charm quark, or a different hadronisation process, when a charm baryon is produced in the final state.

Acharya, S. (ORCID:0000000292135329)↗
DOE OSTI2025

Probing spin and lifetime correlations in entangled hyperon-antihyperon pairs

Quantum entanglement has now been demonstrated in several hadronic systems, revealing that non-classical spin correlations survive even through the strong-interaction hadronization process. To date, however, all studies have focused exclusively on angular observables, leaving the possibility untouched that quantum coherence might also influence the decay times of entangled partners. In this work we propose data-driven tests of spin-lifetime and lifetime-lifetime correlations for $Λ-\bar{Λ}$ pairs produced in high-energy collisions. By examining the opening-angle distribution in slices of $Δt$, constructing a pair-wise spin-lifetime correlator, and testing a simple lifetime-lifetime covariance, we search for deviations from independent exponential decay that align with known spin correlations. Observation of nonzero lifetime correlations would compel a reassessment of how entanglement manifests in decaying systems, revealing hitherto unexplored temporal coherence.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2017

Diagnosing collisionless energy transfer using field–particle correlations: Vlasov–Poisson plasmas

Turbulence plays a key role in the conversion of the energy of large-scale fields and flows to plasma heat, impacting the macroscopic evolution of the heliosphere and other astrophysical plasma systems. Although we have long been able to make direct spacecraft measurements of all aspects of the electromagnetic field and plasma fluctuations in near-Earth space, our understanding of the physical mechanisms responsible for the damping of the turbulent fluctuations in heliospheric plasmas remains incomplete. Here we propose an innovative field–particle correlation technique that can be used to measure directly the secular energy transfer from fields to particles associated with collisionless damping of the turbulent fluctuations. Furthermore, this novel procedure yields information about the collisionless energy transfer as a function of particle velocity, providing vital new information that can help to identify the dominant collisionless mechanism governing the damping of the turbulent fluctuations. Kinetic plasma theory is used to devise the appropriate correlation to diagnose Landau damping, and the field–particle correlation technique is thoroughly illustrated using the simplified case of the Landau damping of Langmuir waves in a 1D-1V (one dimension in physical space and one dimension in velocity space) Vlasov–Poisson plasma. Generalizations necessary to apply the field–particle correlation technique to diagnose the collisionless damping of turbulent fluctuations in the solar wind are discussed, highlighting several caveats. This novel field–particle correlation technique is intended to be used as a primary analysis tool for measurements from current, upcoming and proposed spacecraft missions that are focused on the kinetic microphysics of weakly collisional heliospheric plasmas, including the Magnetospheric Multiscale (MMS), Solar Probe Plus, Solar Orbiter and Turbulence Heating ObserveR (THOR) missions.

Physics↗
DOE OSTI2022

The Effect of Geometry, Spin, and Orbital Optimization in Achieving Accurate, Correlated Results for Iron–Sulfur Cubanes

Iron–sulfur clusters comprise an important functional motif in the catalytic centers of biological systems, capable of enabling important chemical transformations at ambient conditions. This remarkable capability derives from a notoriously complex electronic structure that is characterized by a high density of states that is sensitive to geometric changes. The spectral sensitivity to subtle geometric changes has received little attention from correlated, large active space calculations, owing partly to the exceptional computational complexity for treating these large and correlated systems accurately. Here, to provide insight into this aspect, we report the first Complete Active Space Self Consistent Field (CASSCF) calculations for different geometries of the [Fe(II/III) 4 S 4 (SMe) 4 ] -2 clusters using two complementary, correlated solvers: spin-pure Adaptive Sampling Configuration Interaction (ASCI) and Density Matrix Renormalization Group (DMRG). We find that the previously established picture of a double-exchange driven magnetic structure, with minute energy gaps (<1 mHa) between consecutive spin states, has a weak dependence on the underlying geometry. However, the spin gap between the singlet and the spin state 2S + 1 = 19, corresponding to a maximal number of Fe-d electrons being unpaired and of parallel spin, is strongly geometry dependent, changing by a factor of 3 upon slight deformations that are still within biologically relevant parameters. The CASSCF orbital optimization procedure, using active spaces as large as 86 electrons in 52 orbitals, was found to reduce this gap compared to typical mean-field orbital approaches. Our results show the need for performing large active space calculations to unveil the challenging electronic structure of these complex catalytic centers and should serve as accurate starting points for fully correlated treatments upon inclusion of dynamical correlation outside the active space.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2018

Effect of Coulomb Correlation on the Magnetic Properties of Mn Clusters

In spite of decades of research, a fundamental understanding of the unusual magnetic behavior of small Mn clusters remains a challenge. Experiments show that Mn 2 is antiferromagnetic while small clusters containing up to five Mn atoms are ferromagnetic with magnetic moments of 5 μB/atom and become ferrimagnetic as they grow further. Theoretical studies based on density functional theory (DFT), however, find Mn2 to be ferromagnetic, with ferrimagnetic order setting in at different sizes that depend upon the computational methods used. While quantum chemical techniques correctly account for the antiferromagnetic ground state of Mn 2 , they are computationally too demanding to treat larger clusters, making it difficult to understand the evolution of magnetism. These studies clearly point to the importance of correlation and the need to find ways to treat it effectively for larger clusters and nanostructures. In this report we show that the DFT+U method can be used to account for strong correlation. We determine the on-site Coulomb correlation, Hubbard U self-consistently by using the linear response theory and study its effect on the magnetic coupling of Mn clusters containing up to five atoms. With a calculated U value of 4.8 eV, we show that the ground state of Mn 2 is antiferromagnetic with a Mn–Mn distance of 3.34 Å, which agrees well with the electron spin resonance experiment. Equally important, we show that on-site Coulomb correlation also plays an important role in the evolution of magnetic coupling in larger clusters, as the results differ significantly from standard DFT calculations. We conclude that for a proper understanding of magnetism of Mn nanostructures (clusters, chains, and layers) one must take into account the effect of strong correlation.

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

Dynamical Ion Correlations in Polymer and Membrane Electrolytes: Recent Advances and Open Questions

Ion transport in polymer and membrane electrolytes is often described using uncorrelated models like the Nernst–Einstein (NE) approximation, which link conductivity, transference number, and salt diffusivity to individual ion mobilities. However, growing evidence shows that dynamical ion correlations─arising from ion pairing, polymer-mediated coupling, confinement, and electrostatic interactions─can substantially alter macroscopic transport properties. The Onsager transport formalism offers a rigorous framework to quantify these effects via cross-correlated ionic displacements. This Perspective highlights how such correlations manifest across dry and hydrated systems, including salt-doped polymers, block copolymers, hydrogels, and ion-exchange membranes. Here, we examine key physical origins, the influence of salt chemistry and polymer structure, and open questions in measuring and controlling correlated motion. Embracing correlation-aware design enables new pathways to optimize conductivity, transference number, and selectivity─shifting the focus from individual ion mobility to engineered collective dynamics for next-generation electrolytes in energy storage and separations.

Charge transport↗
DOE OSTI2022

Impact of Ion–Ion Correlated Motion on Salt Transport in Solvated Ion Exchange Membranes

The influence of dynamical ion-ion correlations and ion pairing on salt transport in ion exchange membranes remain poorly understood. In this study, we use the framework of Onsager transport coefficients within atomistic molecular dynamics sim- ulations to study the impact of ion-ion correlated motion on salt transport in hydrated polystyrene sulfonate membranes and compare with the results from aqueous salt so- lutions. At sufficiently high salt concentrations, cation-anion dynamical correlations exert a significant influence on both salt diffusivities and conductivities. Anion-anion distinct correlations, arising from the imbalance between the concentration of free (mo- bile) cations and anions, and the retarding effect of the fixed charge groups on cations, proves to be an additional important feature for polymer membranes. Furthermore, our results demonstrate that dynamical correlations should become an important consideration in experimental measurements of salt diffusivities and conductivities for non-dilute salt solutions in polymer membranes.

36 MATERIALS SCIENCE↗
DOE OSTI2016

Ultrafast energy- and momentum-resolved dynamics of magnetic correlations in the photo-doped Mott insulator Sr 2 IrO 4

Measuring how the magnetic correlations evolve in doped Mott insulators has greatly improved our understanding of the pseudogap, non-Fermi liquids and high-temperature superconductivity 1, 2, 3, 4 . Recently, photo-excitation has been used to induce similarly exotic states transiently 5, 6, 7 . However, the lack of available probes of magnetic correlations in the time domain hinders our understanding of these photo-induced states and how they could be controlled. Here, we implement magnetic resonant inelastic X-ray scattering at a free-electron laser to directly determine the magnetic dynamics after photo-doping the Mott insulator Sr 2 IrO 4 . We find that the non-equilibrium state, 2 ps after the excitation, exhibits strongly suppressed long-range magnetic order, but hosts photo-carriers that induce strong, non-thermal magnetic correlations. These two-dimensional (2D) in-plane Néel correlations recover within a few picoseconds, whereas the three-dimensional (3D) long-range magnetic order restores on a fluence-dependent timescale of a few hundred picoseconds. In conclusion, the marked difference in these two timescales implies that the dimensionality of magnetic correlations is vital for our understanding of ultrafast magnetic dynamics.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2018

Coherent organization of electronic correlations as a mechanism to enhance and stabilize high-T C cuprate superconductivity

Strong diffusive or incoherent electronic correlations are the signature of the strange-metal normal state of the cuprate superconductors, with these correlations considered to be undressed or removed in the superconducting state. A critical question is if these correlations are responsible for the high-temperature superconductivity. Here, utilizing a development in the analysis of angle-resolved photoemission data, we show that the strange-metal correlations don’t simply disappear in the superconducting state, but are instead converted into a strongly renormalized coherent state, with stronger normal state correlations leading to stronger superconducting state renormalization. This conversion begins well above T C at the onset of superconducting fluctuations and it greatly increases the number of states that can pair. Therefore, there is positive feedback––the superconductive pairing creates the conversion that in turn strengthens the pairing. Although such positive feedback should enhance a conventional pairing mechanism, it could potentially also sustain an electronic pairing mechanism.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2017

Imaging the square of the correlated two-electron wave function of a hydrogen molecule

The toolbox for imaging molecules is well-equipped today. Some techniques visualize the geometrical structure, others the electron density or electron orbitals. Molecules are many-body systems for which the correlation between the constituents is decisive and the spatial and the momentum distribution of one electron depends on those of the other electrons and the nuclei. Such correlations have escaped direct observation by imaging techniques so far. Here, we implement an imaging scheme which visualizes correlations between electrons by coincident detection of the reaction fragments after high energy photofragmentation. With this technique, we examine the H 2 two-electron wave function in which electron-electron correlation beyond the mean-field level is prominent. We visualize the dependence of the wave function on the internuclear distance. High energy photoelectrons are shown to be a powerful tool for molecular imaging. Finally, our study paves the way for future time resolved correlation imaging at FELs and laser based X-ray sources.

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

Electronic correlations and flattened band in magnetic Weyl semimetal candidate Co 3 Sn 2 S 2

The interplay between electronic correlations and topological protection may offer a rich avenue for discovering emergent quantum phenomena in condensed matter. However, electronic correlations have so far been little investigated in Weyl semimetals (WSMs) by experiments. Here, we report a combined optical spectroscopy and theoretical calculation study on the strength and effect of electronic correlations in a magnet Co 3 Sn 2 S 2 . The electronic kinetic energy estimated from our optical data is about half of that obtained from single-particle ab initio calculations in the ferromagnetic ground state, which indicates intermediate-strength electronic correlations in this system. Furthermore, comparing the energy and side-slope ratios between the interband-transition peaks at high energies in the experimental and single-particle-calculation-derived optical conductivity spectra with the bandwidth-renormalization factors obtained by many-body calculations enables us to estimate the Coulomb-interaction strength (U ~ 4 eV) in Co 3 Sn 2 S 2 . Besides, a sharp experimental optical conductivity peak at low energy, which is absent in the single-particle-calculation-derived spectrum but is consistent with the optical conductivity peaks obtained by many-body calculations with U ~ 4 eV, indicates that an electronic band connecting the two Weyl cones is flattened by electronic correlations and emerges near the Fermi energy in Co 3 Sn 2 S 2 . Our work paves the way for exploring flat-band-generated quantum phenomena in WSMs.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2022

Ultra-flat and long-lived plasmons in a strongly correlated oxide

Plasmons in strongly correlated systems are attracting considerable attention due to their unconventional behavior caused by electronic correlation effects. Recently, flat plasmons with nearly dispersionless frequency-wave vector relations have drawn significant interest because of their intriguing physical origin and promising applications. However, these flat plasmons exist primarily in low-dimensional materials with limited wave vector magnitudes (q< ~0.7 Å –1 ). Here, we show that long-lived flat plasmons can propagate up to ~1.2 Å –1 in α-Ti 2 O 3 , a strongly correlated three-dimensional Mott-insulator, with an ultra-small energy fluctuation (<40 meV). The strong correlation effect renormalizes the electronic bands near Fermi level with a small bandwidth, which is responsible for the flat plasmons in α-Ti 2 O 3 . Moreover, these flat plasmons are not affected by Landau damping over a wide range of wave vectors (q < ~1.2 Å –1 ) due to symmetry constrains on the electron wavefunctions. Our work provides a strategy for exploring flat plasmons in strongly correlated systems, which in turn may give rise to novel plasmonic devices in which flat and long-lived plasmons are desirable.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2023

Thermodynamic behavior of correlated electron-hole fluids in van der Waals heterostructures

Abstract Coupled two-dimensional electron-hole bilayers provide a unique platform to study strongly correlated Bose-Fermi mixtures in condensed matter. Electrons and holes in spatially separated layers can bind to form interlayer excitons, composite Bosons expected to support high-temperature exciton condensates. The interlayer excitons can also interact strongly with excess charge carriers when electron and hole densities are unequal. Here, we use optical spectroscopy to quantitatively probe the local thermodynamic properties of strongly correlated electron-hole fluids in MoSe 2 /hBN/WSe 2 heterostructures. We observe a discontinuity in the electron and hole chemical potentials at matched electron and hole densities, a definitive signature of an excitonic insulator ground state. The excitonic insulator is stable up to a Mott density of ~0.8 × 10 12 cm −2 and has a thermal ionization temperature of ~70 K. The density dependence of the electron, hole, and exciton chemical potentials reveals strong correlation effects across the phase diagram. Compared with a non-interacting uniform charge distribution, the correlation effects lead to significant attractive exciton-exciton and exciton-charge interactions in the electron-hole fluid. Our work highlights the unique quantum behavior that can emerge in strongly correlated electron-hole systems.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2024

Emergent flat band and topological Kondo semimetal driven by orbital-selective correlations

Flat electronic bands are expected to show proportionally enhanced electron correlations, which may generate a plethora of novel quantum phases and unusual low-energy excitations. They are increasingly being pursued in d-electron-based systems with crystalline lattices that feature destructive electronic interference, where they are often topological. Such flat bands, though, are generically located far away from the Fermi energy, which limits their capacity to partake in the low-energy physics. Here we show that electron correlations produce emergent flat bands that are pinned to the Fermi energy. We demonstrate this effect within a Hubbard model, in the regime described by Wannier orbitals where an effective Kondo description arises through orbital-selective Mott correlations. Moreover, the correlation effect cooperates with symmetry constraints to produce a topological Kondo semimetal. Our results motivate a novel design principle for Weyl Kondo semimetals in a new setting, viz.d-electron-based materials on suitable crystal lattices, and uncover interconnections among seemingly disparate systems that may inspire fresh understandings and realizations of correlated topological effects in quantum materials and beyond.

74 ATOMIC AND MOLECULAR PHYSICS↗