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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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All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

Prediction of correlation energies using variational subspace valence bond

In the variational subspace valence bond (VSVB) [G. D. Fletcher, J. Chem. Phys. 142, 134112 (2015)] method, the electronic orbitals comprising the wave function correspond to chemically meaningful objects, such as bonds, lone pairs, atomic cores, and so on. Selected regions of a molecule (for example, a single chemical bond, as opposed to all the bonds) can be modeled with different levels of basis set and possible methods for modeling correlation from the other regions. The interactions between the components of a molecule (say, a bond and a neighboring orbital) can then be studied in detail for their impact on a chemical phenomenon while avoiding the expense of necessarily applying the higher levels and methods to the entire molecule. Here, this work presents the theoretical basis for modeling correlation effects between specific electron pairs by incorporating terms in the inter-electronic coordinates (“r 12 ”) into VSVB. The approach is validated with calculations on small systems using single-reference wave functions.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2013

MUSCLE W49: A multi-scale continuum and line exploration of the most luminous star formation region in the Milky Way. I. Data and the mass structure of the giant molecular cloud

The Multi-scale Continuum and Line Exploration of W49 is a comprehensive gas and dust survey of the giant molecular cloud (GMC) of W49A, the most luminous star-formation region in the Milky Way. The project covers, for the first time, the entire GMC at different scales and angular resolutions. In this paper, we present (1) an all-configuration Submillimeter Array mosaic in the 230 GHz (1.3 mm) band covering the central ∼3' × 3' (∼10 pc, known as W49N), where most of the embedded massive stars reside and (2) Purple Mountain Observatory 14 m telescope observations in the 90 GHz band, covering the entire GMC with maps of up to ∼35' × 35' in size, or ∼113 pc. We also make use of archival data from the Very Large Array, JCMT-SCUBA, the IRAM 30 m telescope, and the Caltech Submillimeter Observatory BOLOCAM Galactic Plane Survey. We derive the basic physical parameters of the GMC at all scales. Our main findings are as follows. (1) The W49 GMC is one of the most massive in the Galaxy, with a total mass M {sub gas} ∼ 1.1 × 10{sup 6} M {sub ☉} within a radius of 60 pc. Within a radius of 6 pc, the total gas mass is M {sub gas} ∼ 2 × 10{sup 5} M {sub ☉}. At these scales, only ∼1% of the material is photoionized. The mass reservoir is sufficient to form several young massive clusters (YMCs) as massive as a globular cluster. (2) The mass of the GMC is distributed in a hierarchical network of filaments. At scales <10 pc, a triple, centrally condensed structure peaks toward the ring of HC H II regions in W49N. This structure extends to scales from ∼10 to 100 pc through filaments that radially converge toward W49N and its less-prominent neighbor W49S. The W49A starburst most likely formed from global gravitational contraction with localized collapse in a 'hub-filament' geometry. (3) Currently, feedback from the central YMCs (with a present mass M {sub cl} ≳ 5 × 10{sup 4} M {sub ☉}) is still not enough to entirely disrupt the GMC, but further stellar mass growth could be enough to allow radiation pressure to clear the cloud and halt star formation. (4) The resulting stellar content will probably remain as a gravitationally bound massive star cluster or a small system of bound clusters.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2016

Towards quantum turbulence in cold atomic fermionic superfluids

Fermionic superfluids provide a new realization of quantum turbulence, accessible to both experiment and theory, yet relevant to phenomena from both cold atoms to nuclear astrophysics. In particular, the strongly interacting Fermi gas realized in cold-atom experiments is closely related to dilute neutron matter in neutron star crusts. Unlike the liquid superfluids 4 He (bosons) and 3 He (fermions), where quantum turbulence has been studied in laboratory for decades, superfluid Fermi gases stand apart for a number of reasons. They admit a rather reliable theoretical description based on density functional theory called the time-dependent superfluid local density approximation that describes both static and dynamic phenomena. Cold atom experiments demonstrate exquisite control over particle number, spin polarization, density, temperature, and interaction strength. Topological defects such as domain walls and quantized vortices, which lie at the heart of quantum turbulence, can be created and manipulated with time-dependent external potentials, and agree with the time-dependent theoretical techniques. While similar experimental and theoretical control exists for weakly interacting Bose gases, the unitary Fermi gas is strongly interacting. The resulting vortex line density is extremely high, and quantum turbulence may thus be realized in small systems where classical turbulence is suppressed. Fermi gases also permit the study of exotic superfluid phenomena such as the Larkin–Ovchinnikov–Fulde–Ferrell pairing mechanism for polarized superfluids which may give rise to 3D supersolids, and a pseudo-gap at finite temperatures that might affect the regime of classical turbulence. The dynamics associated with these phenomena has only started to be explored. Finally, superfluid mixtures have recently been realized, providing experimental access to phenomena like Andreev–Bashkin entrainment predicted decades ago. Superfluid Fermi gases thus provide a rich forum for addressing phenomena related to quantum turbulence with applications ranging from terrestrial superfluidity to astrophysical dynamics in neutron stars.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2021

The smallest fluid on earth

High energy heavy ion collisions create quark gluon plasmas that behave like almost perfect fluids. Very similar features to those that led to this insight have also been observed in experimental data from collisions of small systems, involving protons or other light nuclei. Here we describe recent developments aimed at understanding whether, and if so how, systems that produce relatively few particles (orders of magnitude less than in typical heavy ion collisions) and are only one to a few times the size of a proton, can behave like fluids. This involves a deeper understanding of fluid dynamics and its applicability, improvements of our understanding of the initial geometry of the collisions by considering fluctuations of the proton shape, as well as advancements in the calculation of initial state effects within an effective theory of quantum chromodynamics, which can affect the observables that are used to study fluid behavior. We further address open questions and discuss future directions.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2022

Long-time memory effects in a localizable central spin problem

We study the properties of the Nakajima–Zwanzig memory kernel for a qubit immersed in a many-body localized (i.e. disordered and interacting) bath. We argue that the memory kernel decays as a power law in both the localized and ergodic regimes, and show how this can be leveraged to extract t → ∞ populations for the qubit from finite time (Jt ≤ 10 2 ) data in the thermalizing phase. This allows us to quantify how the long-time values of the populations approach the expected thermalized state as the bath approaches the thermodynamic limit. This approach should provide a good complement to state-of-the-art numerical methods, for which the long-time dynamics with large baths are impossible to simulate in this phase. Additionally, our numerics on finite baths reveal the possibility for unbounded exponential growth in the memory kernel, a phenomenon rooted in the appearance of exceptional points in the projected Liouvillian governing the reduced dynamics. In small systems amenable to exact numerics, we find that these pathologies may have some correlation with delocalization.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2012

THE EXTENSIVE AGE GRADIENT OF THE CARINA DWARF GALAXY

The evolution of small systems such as dwarf spheroidal galaxies (dSphs) is likely to have been a balance between external environmental effects and internal processes within their own relatively shallow potential wells. Assessing how strong such environmental interactions may have been is therefore an important element in understanding the baryonic evolution of dSphs and their derived dark matter distribution. Here we present results from a wide-area CTIO/MOSAIC II photometric survey of the Carina dSph, reaching down to about two magnitudes below the oldest main-sequence turnoff (MSTO). This data set enables us to trace the structure of Carina in detail out to very large distances from its center, and as a function of stellar age. We observe the presence of an extended structure made up primarily of ancient MSTO stars, at distances between 25' and 60' from Carina's center, confirming results in the literature that Carina extends well beyond its nominal tidal radius. The large number statistics of our survey reveals features such as isophote twists and tails that were undetected in other previous, shallower surveys. This is the first time that such unambiguous signs of tidal disruption have been found in a Milky Way 'classical' dwarf other than Sagittarius. We also demonstrate the presence of a negative age gradient in Carina directly from its MSTOs, and trace it out to very large distances from the galaxy center. The signs of interaction with the Milky Way make it unclear whether the age gradient was already in place before Carina underwent tidal disruption.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2022

Deep drilling in the time domain with DECam: survey characterization

ABSTRACT This paper presents a new optical imaging survey of four deep drilling fields (DDFs), two Galactic and two extragalactic, with the Dark Energy Camera (DECam) on the 4-m Blanco telescope at the Cerro Tololo Inter-American Observatory (CTIO). During the first year of observations in 2021, >4000 images covering 21 deg2 (seven DECam pointings), with ∼40 epochs (nights) per field and 5 to 6 images per night per filter in g, r, i, and/or z have become publicly available (the proprietary period for this program is waived). We describe the real-time difference-image pipeline and how alerts are distributed to brokers via the same distribution system as the Zwicky Transient Facility (ZTF). In this paper, we focus on the two extragalactic deep fields (COSMOS and ELAIS-S1) characterizing the detected sources, and demonstrating that the survey design is effective for probing the discovery space of faint and fast variable and transient sources. We describe and make publicly available 4413 calibrated light curves based on difference-image detection photometry of transients and variables in the extragalactic fields. We also present preliminary scientific analysis regarding the Solar system small bodies, stellar flares and variables, Galactic anomaly detection, fast-rising transients and variables, supernovae, and active Galactic nuclei.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2026

Error-mitigated nonorthogonal quantum eigensolver via shadow tomography

We present a shadow-tomography-enhanced nonorthogonal quantum eigensolver (NOQE) for more efficient and accurate electronic structure calculations on near-term quantum devices. By integrating shadow tomography into the NOQE, the measurement cost scales linearly rather than quadratically with the number of reference states, while also reducing the required qubits and circuit depth by half. This approach enables extraction of all matrix elements via randomized measurements and classical postprocessing. We analyze its sample complexity and show that, for small systems, it remains constant in the high-precision regime, while for larger systems, it scales linearly with the system size. We further apply shadow-based error mitigation to suppress noise-induced bias without increasing quantum resources. Demonstrations on the hydrogen molecule in the strongly correlated regime achieve chemical accuracy under realistic noise, showing that our method is both resource-efficient and noise-resilient for practical quantum chemistry simulations in the near term.

quantum algorithms & computation↗
DOE OSTI2011

Strongly correlated states of a small cold-atom cloud from geometric gauge fields

Using exact diagonalization for a small system of cold bosonic atoms, we analyze the emergence of strongly correlated states in the presence of an artificial magnetic field. This gauge field is generated by a laser beam that couples two internal atomic states, and it is related to Berry's geometrical phase that emerges when an atom follows adiabatically one of the two eigenstates of the atom-laser coupling. Our approach allows us to go beyond the adiabatic approximation, and to characterize the generalized Laughlin wave functions that appear in the strong magnetic-field limit.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2021

Correlations of azimuthal anisotropy Fourier harmonics with subevent cumulants in p Pb collisions at s N N = 8.16 TeV

Event-by-event long-range correlations of azimuthal anisotropy Fourier coefficients ($v_n$) in 8.16 TeV p Pb data, collected by the CMS experiment at the CERN Large Hadron Collider, are extracted using a subevent four-particle cumulant technique applied to very low multiplicity events. Each combination of four charged particles is selected from either two, three, or four distinct subevent regions of a pseudorapidity range from -2.4 to 2.4 of the CMS tracker, and with transverse momentum between 0.3 and 3.0 GeV. Using the subevent cumulant technique, correlations between $v_n$ of different orders are measured as functions of particle multiplicity and compared to the standard cumulant method without subevents over a wide event multiplicity range. At high multiplicities, the $v_2$ and $v_3$ coefficients exhibit an anticorrelation; this behavior is observed consistently using various methods. The $v_2$ and $v_4$ correlation strength is found to depend on the number of subevents used in the calculation. As the event multiplicity decreases, the results from different subevent methods diverge because of different contributions of noncollective or few-particle correlations. Correlations extracted with the four-subevent method exhibit a tendency to diminish monotonically toward the lowest multiplicity region (about 20 charged tracks) investigated. These findings extend previous studies to a significantly lower event multiplicity range and establish the evidence for the onset of long-range collective multiparticle correlations in small system collisions.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2021

Deciphering the R Ψ m correlator in search for the chiral magnetic effect in relativistic heavy ion collisions

The chiral magnetic effect (CME) is extensively studied in heavy-ion collisions at the BNL Relativistic Heavy Ion Collider (RHIC) and the Large Hadron Collider (LHC). An azimuthal correlator called R Ψ m was proposed to measure the CME. By observing the same R Ψ 2 and R Ψ 3 (convex) distributions from A Multi-Phase Transport (ampt) model, by contrasting data and model as well as large and small systems and by event shape engineering (ESE), a recent preprint (arXiv:2006.04251v1) from STAR suggests that the R Ψ m observable is sensitive to the CME signal and relatively insensitive to backgrounds, and their Au + Au data are inconsistent with known background contributions. Our ampt results contradict those from a recent preprint by STAR. Our toy model simulations demonstrate that R Ψ 2 is sensitive to both the CME signal and physics backgrounds. Toy model simulations of isobar collisions show similar centrality dependence and magnitudes for the relative R Ψ 2 strengths as well as the relative Δ γ strengths. We conclude that R Ψ 2 and the inclusive Δ γ are essentially the same.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2021

Exploring theoretical uncertainties in the hydrodynamic description of relativistic heavy-ion collisions

We explore theoretical uncertainties in the hydrodynamic description of relativistic heavy-ion collisions by examining the full nonlinear causality conditions and quantifying the second-order transport coefficients' role on flow observables. The causality conditions impose physical constraints on the maximum allowed values of inverse Reynolds numbers during the hydrodynamic evolution. Including additional second-order gradient terms in the Denicol-Niemi-Molnár-Rischke (DNMR) theory significantly shrinks the casual regions compared to those in the Israel-Stewart hydrodynamics. For Au + Au collisions, we find the variations of flow observables are small with and without imposing the necessary causality conditions, suggesting a robust extraction of the quark-gluon plasma's transport coefficients in previous model-to-data comparisons. However, sizable sensitivity is present in small p + Au collisions, which poses challenges to study the small systems' collectivity.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2023

$K^{*0}$ production in $\text{Au} \times \text{Au}$ collisions at $\sqrt{s_{NN}} = 7.7$, 11.5, 14.5, 19.6, 27, and 39 GeV from the RHIC beam energy scan

We report the measurement of K *0 meson at midrapidity (|y|< 1.0) in Au+Au collisions at $\sqrt{s_{NN}}$ = 7.7, 11.5, 14.5, 19.6, 27 and 39 GeV collected by the STAR experiment during the RHIC beam energy scan (BES) program. The transverse momentum spectra, yield, and average transverse momentum of K *0 are presented as functions of collision centrality and beam energy. The K *0 /K yield ratios are presented for different collision centrality intervals and beam energies. The K *0 /K ratio in heavy-ion collisions are observed to be smaller than that in small system collisions (e+e and p+p). The K *0 /K ratio follows a similar centrality dependence to that observed in previous RHIC and LHC measurements. The data favor the scenario of the dominance of hadronic re-scattering over regeneration for K *0 production in the hadronic phase of the medium.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2023

Search for the chiral magnetic wave using anisotropic flow of identified particles at energies available at the BNL Relativistic Heavy Ion Collider

The chiral magnetic wave (CMW) has been theorized to propagate in the deconfined nuclear medium formed in high-energy heavy-ion collisions, and to cause a difference in elliptic flow (v 2 ) between negatively and positively charged hadrons. Experimental data consistent with the CMW have been reported by the STAR Collaboration at the Relativistic Heavy Ion Collider (RHIC), based on the charge asymmetry dependence of the pion v 2 from Au+Au collisions at $\sqrt{s_{NN}}$ = 27 to 200 GeV. In this comprehensive study, we present the STAR measurements of elliptic flow and triangular flow of charged pions, along with the v 2 of charged kaons and protons, as a function of charge asymmetry in Au+Au collisions at $\sqrt{s_{NN}}$ = 27, 39, 62.4 and 200 GeV. The slope parameters extracted from the linear dependence of the v2 difference on charge asymmetry for different particle species are reported and compared in different centrality intervals. In addition, the slopes of v 2 for charged pions in small systems, i.e., p+Au and d+Au at $\sqrt{s_{NN}}$ = 200 GeV, are also presented and compared with those in large systems, i.e., Au+Au at $\sqrt{s_{NN}}$ = 200 GeV and U+U at 193 GeV. Our results provide new insights for the possible existence of the CMW, and further constrain the background contributions in heavy-ion collisions at RHIC energies.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2018

Effect of the fluctuating proton size on the study of the chiral magnetic effect in proton-nucleus collisions

High energy proton-nucleus (pA) collisions provide an important constraint on the study of the chiral magnetic effect in QCD matter. Naively, in pA collisions one expects no correlation between the orientation of event plane as reconstructed from the azimuthal distribution of produced hadrons and the orientation of magnetic field. If this is the case, any charge-dependent hadron correlations can only result from the background. Nevertheless, in this paper we point out that in high multiplicity pA collisions a correlation between the magnetic field and the event plane can appear. This is because triggering on the high hadron multiplicity amounts to selecting Fock components of the incident proton with a large number of partons that are expected to have a transverse size much larger than the average proton size. We introduce the effect of the fluctuating proton size in the Monte Carlo Glauber model and evaluate the resulting correlation between the magnetic field and the second-order event plane in both pA and nucleus-nucleus (AA) collisions. The fluctuating proton size is found to result in a significant correlation between magnetic field and the event plane in pA collisions, even though the magnitude of the correlation is still much smaller than in AA collisions. Here, this result opens a possibility of studying the chiral magnetic effect in small systems.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2019

Strangeness production via resonances in heavy-ion collisions at energies available at the GSI Schwerionensynchrotron

Production of strange hadrons in elementary and heavy-ion reactions is studied with the hadronic transport approach called simulating many accelerated strongly interacting hadrons. The poorly known branching ratios of the relevant hadronic resonances are constrained from the known elementary hadronic cross sections and from invariant mass spectra of dileptons. The constrained model is employed as a baseline to compare to heavy-ion-collision experiments at low energies [E kin = (1-2) A GeV] and to predict some of the upcoming pion-beam results at the High-Acceptance Di-Electron Spectrometer, which are expected to be sensitive to the resonance properties. The employed vacuum-resonance approach proves to be viable for small systems at these energies, but for large systems additional in-medium effects might be required.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2022

Rapidity dependence of initial state geometry and momentum correlations in p + Pb collisions

Event geometry and initial state correlations have been invoked as possible explanations of long range azimuthal correlations observed in high multiplicity p+p and p+Pb collisions. We study the rapidity dependence of initial state momentum correlations and event-by-event geometry in √s = 5.02 TeV p+Pb collisions within the 3+1D IP-Glasma model [1], where the longitudinal structure is governed by JIMWLK rapidity evolution of the incoming nuclear gluon distributions. Furthermore, we find that the event geometry is correlated across large rapidity intervals whereas initial state momentum correlations are relatively short range in rapidity. Based on our results, we discuss implications for the relevance of both effects in explaining the origin of collective phenomena in small systems.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2024

Modeling stochastic fluctuations in relativistic kinetic theory

Using the information current, we develop a Lorentz-covariant framework for modeling equilibrium fluctuations in relativistic kinetic theory in the grand-canonical ensemble. The resulting stochastic theory is proven to be causal and covariantly stable, and its predictions do not depend on the choice of spacetime foliation used to define the grand-canonical probabilities. As expected, in a box containing N > 5 particles, Boltzmann’s molecular chaos postulate is broken with (almost exact) probability N -1/2 , leading to a breakdown of the Boltzmann equation in small systems. Here, we also verify that, in ultrarelativistic gases, transient hydrodynamics already accounts for at least 80% of the equilibrium fluctuations of the stress-energy tensor at a given time. Finally, we compute the correlators at nonequal times for two selected collision kernels: that of a chemically active diluted solution, and that of ultrarelativistic scalar particles self-interacting via a quartic potential. For the former, we compute the density-density correlators analytically in real space, and dehydrodynamization of the stochastic theory is proven to occur whenever the mean free path diverges at high energy.

Astronomy & Astrophysics↗