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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 1,279 records · Page 71
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

Microscopic ejecta measurements from hypervelocity impacts on aluminum and powdered regolith targets

Meteoroids and space debris pose a two-fold threat to spacecraft due to the risk of both mechanical damage from the impact and electrical damage from the impact-generated plasma, which produces electromagnetic emissions. Analysis of impact products, however, has the potential to provide useful information about planetary rings and small solar system bodies, such as asteroids and comets. Understanding the plasma dynamics and radiation mechanism is essential to addressing the impact threat and extracting science data from impacts. Charge attachment to condensed-phase debris may lead to a dusty plasma under certain conditions, so interpreting hypervelocity impacts requires knowledge of both the nature of the plasma and of the ejecta. We address the latter with measurements of the microscopic ejecta distribution produced by light gas gun impacts on solid aluminum and powdered regolith simulant targets. We examine both the size and shape of the ejecta using thin-film witness plates and find that the size distributions of microscopic ejecta follow power laws. Observations from the powdered regolith simulant match well with disruption experiments of solid basalt, while measurements from the aluminum impacts diverge from extrapolations based on studies of macroscopic debris. Analysis of the ejecta shape shows a transition from smooth to irregularly shaped ejecta at the material grain size, and the shape of debris may provide insight on the phase of the ejected material. Finally, based on our results, we predict a significant number of secondary impacts on plasma sensors due to ejecta, even at considerable distance from the target, supporting the hypothesis that charged dust affects plasma measurements in the ejecta curtain.

42 ENGINEERING↗
DOE OSTI2017

Stable schemes for dissipative particle dynamics with conserved energy

This article presents a new numerical scheme for the discretization of dissipative particle dynamics with conserved energy. The key idea is to reduce elementary pairwise stochastic dynamics (either fluctuation/dissipation or thermal conduction) to effective single-variable dynamics, and to approximate the solution of these dynamics with one step of a Metropolis–Hastings algorithm. This ensures by construction that no negative internal energies are encountered during the simulation, and hence allows to increase the admissible timesteps to integrate the dynamics, even for systems with small heat capacities. Stability is only limited by the Hamiltonian part of the dynamics, which suggests resorting to multiple timestep strategies where the stochastic part is integrated less frequently than the Hamiltonian one.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2014

d + Au hadron correlation measurements at PHENIX

In these proceedings, we discuss recent results from d + Au collisions in PHENIX ridge related measurements and their possible hydrodynamic origin. We present the v 2 at midrapidity and measurements of the pseudorapidity dependence of the ridge, distinguishing between the d-going and Au-going directions. We investigate the possible geometrical origin by comparing v 2 in d + Au to that in p + Pb, Au + Au and Pb + Pb collisions. Future plans to clarify the role of geometry in small collision systems at RHIC are discussed.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2017

Femtoscopy in s NN = 5.02 TeV p+Pb collisions with ATLAS

Bose-Einstein correlations between identified charged pions are measured for p+Pb collisions at $ \sqrt{sNN}=5.02 $ TeV with the ATLAS detector using a total integrated luminosity of 28 nb -1 . Pions are identified using ionisation energy loss measured in the pixel silicon detector. Two-particle correlation functions and the extracted source radii are presented as a function of collision centrality as well as average transverse pair momentum (k T ), rapidity (y* $\pi$$\pi$ ), and azimuthal angle with respect to the second-order event plane. Pairs are selected with a rapidity -2 < y* $\pi$$\pi$ <1 and with an average transverse momentum 0.1 < k T < 0.8 GeV. The effect on the two-particle correlation function from jet fragmentation is studied, and a new method for constraining its contributions to the measured correlations is described. The measured source sizes are substantially larger in more central collisions and are observed to decrease with increasing pair k T . A correlation with the local single-particle multiplicity dN ch /dy* is demonstrated. The cross term R ol , which couples radial and longitudinal expansion, is measured as a function of rapidity, and a departure from zero is observed with 5.1σ combined significance for y* $\pi$$\pi$ > -1 in the most central events. Lastly, the azimuthal modulation of the radii in central events is observed to be consistent with that predicted by hydrodynamics and observed in A+A collisions.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2019

Balance functions of (un)identified hadrons in Pb–Pb, p–Pb, and pp collisions at the LHC

In ultrarelativistic heavy-ion collisions, correlations of particles with opposite quantum numbers provide insight into quark production mechanisms and time scales, collective motion, and re-scattering in the hadronic phase. The longitudinal and azimuthal widths of balance functions for charged kaons and charged pions are used to examine the two-wave quark production model proposed to explain quark-antiquark production within the QGP, which predicts a large increase in up and down quark pairs relative to strange quark pairs around the time of hadronization. Balance functions are also analyzed in small collision systems such as p–Pb and pp to study fragmentation effects and possible collective effects in high-multiplicity events. A comprehensive set of balance functions has been measured using the ALICE detector, including results for unidentified hadrons in Pb–Pb and p–Pb collisions at √ s NN = 5.02 TeV, for charged pions in Pb–Pb collisions at √ s NN = 2.76 TeV, p–Pb collisions at √ s NN = 5.02 TeV and pp collisions at √ s NN = 7 TeV, and for charged kaons in Pb–Pb collisions at √ s NN = 2.76 TeV. The first balance function yield results are also presented.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2019

Hadronic observables in p+p and d+Au collisions at RHIC using CGC+PYTHIA

The IP-Glasma model of CGC combined with the Lund model of PYTHIA provides a very successful description of hadron production from gluon dominated non-equilibrium matter in various small collision systems. This new CGC+PYTHIA framework, naturally reproduces several characteristic features of the hadronic observables such as the mass ordering of ν 2 ( pT ) and < p T >, often ascribed to collectivity driven by hydrodynamics at the LHC [1]. In this contribution we extend our work to provide a systematic comparison of particle spectra and multiplicity distributions in p+p and d+Au collisions at the RHIC.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2020

Studying QGP with flow: A theory overview

I review recent developments in the phenomenological study of the quark-gluon plasma (QGP) transport properties based on a personal selection of results that were presented at Quark Matter 2019. Additionally, the constraints on the temperature dependence of QGP shear and bulk viscosity are summarized. I discuss new theory advancements towards more realistic 3D dynamical simulations of heavy-ion collisions at finite baryon density. The challenges and opportunities of applying hydrodynamics to small collision systems are highlighted.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2023

Measurements of azimuthal anisotropies at forward and backward rapidity with muons in high-multiplicity p–Pb collisions at $\sqrt{s_{NN}} = 8.16$ TeV

The study of the azimuthal anisotropy of inclusive muons produced in p–Pb collisions at $\sqrt{s_{NN}}$ = 8.16 TeV, using the ALICE detector at the LHC is reported. The measurement of the second-order Fourier coefficient of the particle azimuthal distribution, v 2 , is performed as a function of transverse momentum p T in the 0–20% high-multiplicity interval at both forward (2.03 < y CMS < 3.53) and backward (-4.46 < y CMS < -2.96) rapidities over a wide pT range, 0.5 < p T < 10 GeV/c, in which a dominant contribution of muons from heavy-flavour hadron decays is expected at p T > 2 GeV/c. The v 2 coefficient of inclusive muons is extracted using two different techniques, namely two-particle cumulants, used for the first time for heavy-flavour measurements, and forward–central two-particle correlations. Both techniques give compatible results. A positive v 2 is measured at both forward and backward rapidities with a significance larger than 4.7σ and 7.6σ, respectively, in the interval 2 < p T < 6 GeV/c. Comparisons with previous measurements in p–Pb collisions at $\sqrt{s_{NN}}$ = 5.02 TeV, and with AMPT and CGC-based theoretical calculations are discussed. The findings impose new constraints on the theoretical interpretations of the origin of the collective behaviour in small collision systems

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2025

Ab-initio nucleon-nucleon correlations and their impact on high energy 16 O+ 16 O collisions

Investigating nucleon-nucleon correlations inherent to the strong nuclear force is one of the core goals in nuclear physics research. We showcase the unique opportunities offered by collisions of 16 O nuclei at high-energy facilities to reveal detailed many-body properties of the nuclear ground state. We interface existing knowledge about the geometry of 16 O coming from ab-initio calculations of nuclear structure with transport simulations of high-energy 16 O+ 16 O collisions. Bulk observables in these processes, such as the elliptic flow or the fluctuations of the mean transverse momentum, are found to depend significantly on the input nuclear model and to be sensitive to realistic clustering and short-range repulsive correlations, effectively opening a new avenue to probe these features experimentally. This finding demonstrates collisions of oxygen nuclei as a tool to elucidate initial conditions of small collision systems while fostering connections with effective field theories of nuclei rooted in quantum chromodynamics (QCD).

Zhang, Chunjian [Fudan University, Shanghai (China↗
DOE OSTI2025

Multiplicity dependence of charm baryon and charm meson production in pPb collisions at $\sqrt{s_{NN}} = 8.16$ TeV

Measurements of the production yields of charm baryons (Λ$^+_c$ ) and charm mesons (D 0 ) in proton-lead collisions at a nucleon-nucleon center-of-mass energy of 8.16 TeV are presented. The data were collected in 2016 with the CMS experiment and correspond to an integrated luminosity of 186 nb -1 . The Λ$^+_c$ baryon is reconstructed from the decay channel Λ$^+_c$ → K$^0_S$p , while the D 0 meson is reconstructed via D 0 → K - π + . The Λ$^+_c$ baryon and D 0 meson yields are extracted in several charged-particle multiplicity classes. No strong multiplicity dependence of the Λ$^+_c$-to-D 0 yield ratio is observed, unlike the observed strange baryon to strange meson yield ratio of $Λ/\bar{Λ}$to K$^0_S$, which shows a strong multiplicity dependence. This observation indicates different mechanisms for the multiplicity evolution of hadronization processes for charm and strange quarks and provides new constraints to the understanding of heavy flavor production and collectivity in small collision systems.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2020

Lattice QCD Inputs for nuclear double beta decay

Second order β -decay processes with and without neutrinos in the final state are key probes of nuclear physics and of the nature of neutrinos. Neutrinoful double- β decay is the rarest Standard Model process that has been observed and provides a unique test of the understanding of weak nuclear interactions. Observation of neutrinoless double- β decay would reveal that neutrinos are Majorana fermions and that lepton number conservation is violated in nature. While significant progress has been made in phenomenological approaches to understanding these processes, establishing a connection between these processes and the physics of the Standard Model and beyond is a critical task as it will provide input into the design and interpretation of future experiments. The strong-interaction contributions to double- β decay processes are non-perturbative and can only be addressed systematically through a combination of lattice Quantum Chromoodynamics (LQCD) and nuclear many-body calculations. In this review, current efforts to establish the LQCD connection are discussed for both neutrinoful and neutrinoless double- β decay. LQCD calculations of the hadronic contributions to the neutrinoful process $nn &rarr; ppe^-e^-\bar{v}_e\bar{v}_e$ and to various neutrinoless pionic transitions are reviewed, and the connections of these calculations to the phenomenology of double- β decay through the use of effective field theory (EFTs) is highlighted. At present, LQCD calculations are limited to small nuclear systems, and to pionic subsystems, and require matching to appropriate EFTs to have direct phenomenological impact. However, these calculations have already revealed qualitatively that there are terms in the EFTs that can only be constrained from double- β decay processes themselves or using inputs from LQCD. Finally, future prospects for direct calculations in larger nuclei are also discussed.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2022

Crystallization kinetics and nanoparticle ordering in semicrystalline polymer nanocomposites

There has been considerable interest in the nucleation and crystallization of polymers in the presence of nanoparticles (NPs, or nanofillers in general, NFs). Most of the extensive work in this area has focused on anisotropic, non-Brownian NFs (e.g., clay sheets, carbon nanotubes) whose spatial dispersion state in these nanocomposites is controlled by the process by which they are formed. Hence, NF spatial dispersion is generally limited and often remains poorly characterized. Thermodynamic handles that can be used to control NF dispersion state in the polymer melt include (a) favorable interactions between the polymer chains and the bare NP surfaces, or (b) the density and length of the chains, with the same chemistry as the matrix, grafted to the NP surface. These relatively large NFs merely act as stationary objects that affect the kinetics of nucleation by providing heterogeneous sites, and the crystallization rate by confining the polymer in the melt state. The dispersion state of the NFs can dramatically affect the nucleation and crystallization of the matrix, but in most cases reported, the NFs increase nucleation efficiency relative to the neat polymer. At higher NF loadings, the effect of polymer confinement by the NFs dominates, leading to a decrease in crystal growth rates. This review describes the most important lessons learned from these commonly studied systems and then extends to polymer composite systems containing small, mobile spherical NPs (typically smaller than 100 nm in size). The role of NP mobility, which provides for dynamic confinement of the polymer melt, on the kinetics of polymer crystallization (nucleation, growth, and overall crystallization) and how this behavior is mostly consistent with the case of immobile NF is a second important focus of this review. In addition to the role of NFs on crystallization kinetics, recently reported nanoparticle ordering phenomena such as the effect of matrix crystallization on the organization of small spherical NPs within the amorphous regions of the semicrystalline morphology are discussed. In conclusion, such phenomena are clearly not observed for large NFs and hence provide a point of departure from past works in this area.

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

InteraChem: Virtual Reality Visualizer for Reactive Interactive Molecular Dynamics

Interactive molecular dynamics in virtual reality (IMD-VR) simulations provide a digital molecular playground for students as an alternative or complement to traditional molecular modeling kits or 2D illustrations. Previous IMD-VR studies have used molecular mechanics to enable simulations of macromolecules such as proteins and nanostructures for the classroom setting with considerable success. Here, we present the InteraChem molecular visualizer, intended for reactive IMD-VR simulation using semiempirical and ab initio methods. InteraChem visualizes not only the molecular geometry but also (1) isosurfaces such as molecular orbitals and electrostatic potentials and (2) two-dimensional graphs of time-varying simulation quantities such as kinetic/potential energy, internal coordinates, and user-applied force. Additionally, InteraChem employs speech recognition to facilitate user interaction and introduces a novel “atom happiness” visualization using emojis to indicate the energetic feasibility of a particular bonding arrangement. Furthermore, we include a set of accompanying exercises that we have used to teach chemical reactivity in small molecular systems.

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

Real-time coupled-cluster approach for the cumulant Green's function

Green’s function methods within many-body perturbation theory provide a general framework for treating electronic correlations in excited states. Here we investigate the cumulant form of the one-electron Green’s function based on the coupled-cluster equation of motion approach in an extension of our previous study. The approach yields a non-perturbative expression for the cumulant in terms of the solution to a set of coupled first order, non-linear differential equations. The method thereby adds non-linear corrections to traditional cumulant methods linear in the self energy. The approach is applied to the core-hole Green’s function and illustrated for a number of small molecular systems. For these systems we find that the non-linear contributions lead to significant improvements both for quasiparticle properties such as core-level binding energies, as well as the satellites corresponding to inelastic losses observed in photoemission spectra.

Vila, Fernando D.↗
DOE OSTI2022

GronOR: Scalable and Accelerated Nonorthogonal Configuration Interaction for Molecular Fragment Wave Functions

GronOR is a program package for nonorthogonal configuration interaction calculations. Electronic wave functions are constructed in terms of antisymmetrized products of multiconfiguration molecular fragment wave functions. The computational complexity of the nonorthogonal methodologies implemented in GronOR applied to large molecular assemblies requires a design that takes full advantage of massively parallel supercomputer architectures and accelerator technologies. This work describes the implementation strategy and resulting performance characteristics. In addition to parallelization and acceleration, the software development strategy includes aspects of fault resiliency and heterogeneous computing. The program was designed for large-scale supercomputers but also runs effectively on small clusters and workstations for small molecular systems. GronOR is available as open source to the scientific community.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗