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At least 1,531 records · Page 85
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

Reexamining the variational two-particle reduced density matrix for nuclear systems

We report that in most nuclear many-body methods, observables are calculated using many-body wave functions explicitly. The variational two-particle reduced density matrix method is one of the few exceptions to the rule. Ground-state energies of both closed-shell and open-shell nuclear systems can indeed be evaluated by minimizing a constrained linear functional of the two-particle reduced density matrix. However, it has virtually never been used in nuclear theory, because nuclear ground states were found to be well overbound, contrary to those of atoms and molecules. Consequently, we introduced new constraints in the nuclear variational two-particle reduced density matrix method, developed recently for atomic and molecular systems. Our calculations then show that this approach can provide a proper description of nuclear systems where only valence neutrons are included. For the nuclear systems where both neutrons and protons are active, however, the energies obtained with the variational two-particle reduced density matrix method are still overbound. The possible reasons for the noticed discrepancies and solutions to this problem will be discussed.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2022

Probing the high-density nuclear symmetry energy with the Ξ – / Ξ 0 ratio in heavy-ion collisions at s N N ≈ 3 GeV

Recent beam energy scan experiments at the BNL Relativistic Heavy Ion Collider by the STAR Collaboration found that hadronic interactions dominate the collective flow and the proton cumulant ratios are driven by baryon number conservation in a region of high baryon density in √ s NN = 3 GeV Au + Au reactions, indicating that the dense medium formed in such collisions is likely hadronic matter. Within an updated a relativistic transport model with momentum dependent isoscalar and isovector single-nucleon mean-field potentials corresponding to different symmetry energies at suprasaturation densities, the n/p, π – /π + , $K$ $^{0}_{s}$/K + , Σ – /Σ + , and Ξ – /Ξ 0 ratios are studied for central Au + Au collisions at √ s NN = 3 GeV, where the maximum central density reaches about (3.6–4.0) ρ 0 . The doubly strange Ξ – /Ξ 0 ratio is found to have the strongest sensitivity to the variation of high-density nuclear symmetry energy. Furthermore, the Ξ – /Ξ 0 ratio in relativistic heavy-ion reactions at √ s NN~3 GeV may help probe sensitively the poorly known symmetry energy of dense neutron-rich matter critically important for understanding various properties of neutron stars.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2019

Large baryon densities achievable in high-energy heavy-ion collisions outside the central rapidity region

Nuclei are nearly transparent to each other when they collide at high energy, but the collisions do produce high-energy density matter in the central rapidity region where most experimental measurements are made. What happens to the receding nuclear fireballs? We calculate the energy loss of the nuclei using the color glass condensate model. We then use a simple space-time picture of the collision to calculate the baryon and energy densities of the receding fireballs. For central collisions of large nuclei at the BNL Relativistic Heavy Ion Collider and the CERN Large Hadron Collider we find baryon densities more than ten times that of normal nuclear matter. Furthermore, these results provide initial conditions for subsequent hydrodynamic evolution and could test the equation of state at very high baryon densities.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2019

Ab initio folding potentials for nucleon-nucleus scattering based on no-core shell-model one-body densities

Background: Calculating microscopic optical potentials for elastic nucleon-nucleus scattering has already led to large body of work in the past. For folding first-order calculations the nucleon-nucleon ( NN ) interaction and the one-body density of the nucleus were taken as input to rigorous calculations in a spectator expansion of the multiple scattering series. Purpose: Based on the Watson expansion of the multiple scattering series we employ a nonlocal translationally invariant nuclear density derived from a chiral next-to-next-to-leading order (NNLO) and the very same interaction for consistent full-folding calculation of the effective (optical) potential for nucleon-nucleus scattering for light nuclei. Methods: The first order effective (optical) folding potential is computed by integrating over the nonlocal, translationally invariant NCSM one-body density and the off-shell Wolfenstein amplitudes A and C. The resulting nonlocal potential serves as input for a momentum-space Lippmann-Schwinger equation, whose solutions are summed to obtain the nucleon-nucleus scattering observables. Results: We calculate scattering observables, such as total, reaction, and differential cross sections as well as the analyzing power and the spin-rotation parameter, for elastic scattering of protons and neutrons from 4 He, 6 He, 12 C, and 16 O, in the energy regime between 100 and 200 MeV projectile kinetic energy, and compare to available data. Conclusions: Our calculations show that the effective nucleon-nucleus potential obtained from the first-order term in the spectator expansion of the multiple scattering expansion describes experiments very well to about 60 degrees in the center-of-mass frame, which coincides roughly with the validity of the NNLO chiral interaction used to calculate both the NN amplitudes and the one-body nuclear density.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2020

Position-dependent matter density probability distribution function

Here, we introduce the position-dependent probability distribution function (PDF) of the smoothed matter field as a cosmological observable. In comparison to the PDF itself, the spatial variation of the position-dependent PDF is simpler to model and has distinct dependence on cosmological parameters. We demonstrate that the position-dependent PDF is characterized by variations in the local mean density, and we compute the linear response of the PDF to the local density using separate universe N-body simulations. The linear response of the PDF to the local density field can be thought of as the linear bias of regions of the matter field selected based on density. We provide a model for the linear response, which accurately predicts our simulation measurements. We also validate our results and test the separate universe consistency relation for the local PDF using global universe simulations. We find excellent agreement between the two, and we demonstrate that the separate universe method gives a lower variance determination of the linear response.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2024

Terrestrial density of strongly-coupled relics

The simplest cosmologies motivate the consideration of dark matter subcomponents that interact significantly with normal matter. Moreover, such strongly coupled relics may have evaded detection to date if upon encountering the Earth they rapidly thermalize down to terrestrial temperatures, T ⊕ ∼ 300 K ∼ 25 meV , well below the thresholds of most existing dark matter detectors. This shedding of kinetic energy implies a drastic enhancement to the local density, motivating the consideration of alternative detection techniques sensitive to a large density of slowly moving dark matter particles. In this work, we provide a rigorous semianalytic derivation of the terrestrial overdensities of strongly coupled relics, with a particular focus on millicharged particles (MCPs). We go beyond previous studies by incorporating improved estimates of the MCP-atomic scattering cross section, new contributions to the terrestrial density of sub-GeV relics that are independent of the Earth’s gravitational field, and local modifications that can arise due to the cryogenic environments of precision sensors. We also generalize our analysis in order to estimate the terrestrial density of thermalized MCPs that are produced from the collisions of high-energy cosmic rays and become bound by the Earth’s electric field. Published by the American Physical Society 2024

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2024

Equation of state at neutron-star densities and beyond from perturbative QCD

We explore the consequences of imposing robust thermodynamic constraints arising from perturbative quantum chromodynamics (QCD) when inferring the dense-matter equation-of-state (EOS). We find that the termination density, up to which the EOS modeling is performed in an inference setup, strongly affects the constraining power of the QCD input. This sensitivity in the constraining power arises from EOSs that have a specific form, with drastic softening immediately above the termination density followed by a strong stiffening. Here we also perform explicit modeling of the EOS down from perturbative-QCD densities to construct a new QCD likelihood function that incorporates additional perturbative-QCD calculations of the sound speed and is insensitive to the termination density, which we make publicly available.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2024

Finite density QCD equation of state: Critical point and lattice-based 𝑇′ expansion

Here, we present a novel construction of the QCD equation of state (EoS) at finite baryon density. Our work combines a recently proposed resummation scheme for lattice QCD results with the universal critical behavior at the QCD critical point. This allows us to obtain a family of equations of state in the range 0 ≤ 𝜇 𝐵 ≤ 700 MeV and 25 MeV ≤ 𝑇 ≤ 800 MeV, which match lattice QCD results near 𝜇 𝐵 =0 while featuring a critical point in the 3D Ising model universality class. The position of the critical point can be chosen within the range accessible to beam-energy scan heavy-ion collision experiments. The strength of the singularity and the shape of the critical region are parametrized using a standard parameter set. We impose stability and causality constraints and discuss the available ranges of critical point parameter choices, finding that they extend beyond earlier parametric QCD EoS proposals. We present thermodynamic observables, including baryon density, pressure, entropy density, energy density, baryon susceptibility and speed of sound, that cover a wide range in the QCD phase diagram relevant for experimental exploration.

Astronomy & Astrophysics↗
DOE OSTI2022

Spectral density reconstruction with Chebyshev polynomials

Accurate calculations of the spectral density in a strongly correlated quantum many-body system are of fundamental importance to study its dynamics in the linear response regime. Typical examples are the calculation of inclusive and semiexclusive scattering cross sections in atomic nuclei and transport properties of nuclear and neutron star matter. Integral transform techniques play an important role in accessing the spectral density in a variety of nuclear systems. However, their accuracy is in practice limited by the need to perform a numerical inversion which is often ill-conditioned. Here, in the present work we extend a recently proposed quantum algorithm which circumvents this problem. We show how to perform controllable reconstructions of the spectral density over a finite energy resolution with rigorous error estimates. An appropriate expansion in Chebyshev polynomials allows for efficient simulations also on classical computers. We apply our idea to obtain the local density of states for graphene in a magnetic field as a proof of principle. This paves the way for future applications in nuclear and condensed matter physics.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2019

Ionization potential depression and Pauli blocking in degenerate plasmas at extreme densities

New facilities explore warm dense matter (WDM) at conditions with extreme densities (exceeding ten times condensed matter densities) so that electrons are degenerate even at temperatures of 10 - 100 eV. Whereas in the non-degenerate region correlation effects such as Debye screening are relevant for the ionization potential depression (IPD), new effects have to be considered in degenerate plasmas. In addition to the Fock shift of the self-energies, the bound-state Pauli blocking becomes important with increasing density. Standard approaches to IPD such as Stewart-Pyatt and widely used opacity tables (e.g., OPAL) do not contain Pauli blocking effects for bound states. The consideration of degeneracy effects leads to a reduction of the ionization potential and to a higher degree of ionization. As an example, we present calculations for the ionization degree of carbon plasmas at T = 100 eV and extreme densities up to 40 g/cm 3 , which are relevant to experiments that are currently scheduled at the National Ignition Facility.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2022

Constraints on the Maximum Densities of Neutron Stars from Postmerger Gravitational Waves with Third-Generation Observations

Using data from 289 numerical relativity simulations of binary neutron star mergers, we identify, for the first time, a robust quasiuniversal relation connecting the postmerger peak gravitational-wave frequency and the value of the density at the center of the maximum mass nonrotating neutron star. This relation offers a new possibility for precision equation-of-state constraints with next-generation ground-based gravitational-wave interferometers. Mock Einstein Telescope observations of fiducial events indicate that Bayesian inferences can constrain the maximum density to ~15% (90% credibility level) for a single signal at the minimum sensitivity threshold for a detection. If the postmerger signal is included in a full-spectrum (inspiral-merger-postmerger) analysis of such a signal, the pressure-density function can be tightly constrained up to the maximum density, and the maximum neutron star mass can be measured with an accuracy better than 12% (90% credibility level).

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2025

Optical Imaging of Laser-Driven Fast Electron Weibel-like Filamentation in Overcritical Density Plasma

We report on the measurement of filamented transport of laser-generated fast electron beams in near-critical density plasma. A relativistic intensity long-wave-infrared laser irradiated a hydrodynamically shaped helium gas flow at an electron density n e ≃ 10 25 m − 3 , generating a large flux of fast electrons that propagated beyond the critical surface. The beam-to-background electron density ratio was sufficiently high to drive growth of Weibel-like filamentation, which was measured by optical probing to extend up to 800 μ m with radii ∼ 10 μ m . Particle-in-cell simulations reproduce the main features of the filamentation generation, suggesting that collisionless processes are dominant in these interactions. Expansion of the filaments after formation infers a fast electron heated plasma temperature ∼ 400 eV in the overcritical density plasma. Published by the American Physical Society 2025

43 PARTICLE ACCELERATORS↗
DOE OSTI2018

Spin density stabilization of local distortions induced by a monovacancy in δ -Pu

Density functional theory calculations elucidate crystallographic and electronic structural responses of the fcc delta phase of plutonium (δ-Pu) to point defects. Discussed are responses that vary from a defect exhibiting a local structural instability common in fcc metals to an unusual defect structure that mimics properties similar to the monoclinic α phase. In the prior case, the existence of a self-vacancy when ionic relaxation is allowed induces in the fcc lattice a local tetragonal instability in nearest-neighbor atoms, slight electronic charge increase, and a spin-density decrease. However, in the latter case, after ionic relaxation, the defect is not recognizable as the structure of a vacant site common to many simple fcc metals, but is a complex extended defect involving neighboring atoms to collectively exhibit loss of lattice symmetry through formation of short Pu-Pu bonds and associated narrow bands at the Fermi energy. Partial density of states (PDOS) indicates that these narrow bands form as spectral weighting from the less energetic 6d electronic states is shifted to the 5f electronic states by means of the spin density, which occupies states at the Fermi energy. Finally, the PDOS of a 5f system exhibiting narrow bands at the Fermi energy is associated with the formation of an unusual defect structure in the lattice.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Valley relaxation of resident electrons and holes in a monolayer semiconductor: Dependence on carrier density and the role of substrate-induced disorder

Using time-resolved optical Kerr rotation, here we measure the low-temperature valley dynamics of resident electrons and holes in exfoliated WSe 2 monolayers as a systematic function of carrier density. In an effort to reconcile the many disparate timescales of carrier valley dynamics in monolayer semiconductors reported to date, we directly compare the doping-dependent valley relaxation in two electrostatically gated WSe 2 monolayers having different dielectric environments. In a fully encapsulated structure ( hBN / WSe 2 / hBN , where hBN is hexagonal boron nitride), valley relaxation is found to be monoexponential. The valley relaxation time τ v is quite long ( ~ 10 μ s ) at low carrier densities, but decreases rapidly to less than 100 ns at high electron or hole densities ≳ 2 × 10 12 cm – 2 . In contrast, in a partially encapsulated WSe 2 monolayer placed directly on silicon dioxide ( hBN / WSe 2 / SiO 2 ) , carrier valley relaxation is multiexponential at low carrier densities. The difference is attributed to environmental disorder from the SiO 2 substrate. Unexpectedly, very small out-of-plane magnetic fields can increase τ v , especially in the hBN / WSe 2 / SiO 2 structure, suggesting that localized states induced by disorder can play an important role in depolarizing spins and mediating the valley relaxation of resident carriers in monolayer transition-metal dichalcogenide semiconductors.

36 MATERIALS SCIENCE↗
DOE OSTI2016

Density Fluctuations of Hard-Sphere Fluids in Narrow Confinement

Spatial confinement induces microscopic ordering of fluids, which in turn alters many of their dynamic and thermodynamic properties. However, the isothermal compressibility has hitherto been largely overlooked in the literature, despite its obvious connection to the underlying microscopic structure and density fluctuations in confined geometries. Here, we address this issue by probing density profiles and structure factors of hard-sphere fluids in various narrow slits, using x-ray scattering from colloid-filled nanofluidic containers and integral-equation-based statistical mechanics at the level of pair distributions for inhomogeneous fluids. Most importantly, we demonstrate that density fluctuations and isothermal compressibilities in confined fluids can be obtained experimentally from the long-wavelength limit of the structure factor, providing a formally exact and experimentally accessible connection between microscopic structure and macroscopic, thermodynamic properties. Our approach will thus, for example, allow direct experimental verification of theoretically predicted enhanced density fluctuations in liquids near solvophobic interfaces.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2025

Phonon density of states in uranium Laves phases UNi 2 and UCo 2

Recent computational work evaluated the phase stability of UCo 2 and UNi 2 in the C14, C15, and C36 Laves phases and reported their computationally determined phonon density of states. To corroborate these computational findings, we report the experimentally determined phonon density of states for UCo 2 and UNi 2 using inelastic neutron scattering at the wide angular-range chopper spectrometer at the Spallation Neutron Source at Oak Ridge National Laboratory. We found excellent agreement between experimental and computational results for UNi 2 and noted that some differences were observed for UCo 2 . Furthermore, by comparing the phonon density of states of UCo 2 with that of other U-bearing Laves phases, we found that UCo 2 showed distinct vibrational properties. From the one-phonon density of states, we calculated the lattice contribution to the specific heat of UNi 2 and UCo 2 . Finally, we bound the electronic contribution to the specific heat in UNi 2 .

Actinides↗
DOE OSTI2016

Quantum crystallographic charge density of urea

Standard X-ray crystallography methods use free-atom models to calculate mean unit-cell charge densities. Real molecules, however, have shared charge that is not captured accurately using free-atom models. To address this limitation, a charge density model of crystalline urea was calculated using high-level quantum theory and was refined against publicly available ultra-high-resolution experimental Bragg data, including the effects of atomic displacement parameters. The resulting quantum crystallographic model was compared with models obtained using spherical atom or multipole methods. Despite using only the same number of free parameters as the spherical atom model, the agreement of the quantum model with the data is comparable to the multipole model. The static, theoretical crystalline charge density of the quantum model is distinct from the multipole model, indicating the quantum model provides substantially new information. Hydrogen thermal ellipsoids in the quantum model were very similar to those obtained using neutron crystallography, indicating that quantum crystallography can increase the accuracy of the X-ray crystallographic atomic displacement parameters. Lastly, the results demonstrate the feasibility and benefits of integrating fully periodic quantum charge density calculations into ultra-high-resolution X-ray crystallographic model building and refinement.

36 MATERIALS SCIENCE↗
DOE OSTI2018

Coil Power Density Optimization and Trade-off Study for a 100kW Electric Vehicle IPT Wireless Charging System

This paper presents a trade–off study examining the impacts of modifying resonant frequency and coil current density on coil power density for a 100kW electric vehicle charging system. We find that power density can be increased significantly by moving to higher operating frequency and current density with marginal impact to overall coil–to–coil transfer efficiency. A detailed prototype model of a 150 kVA rated coil set is presented along with loss estimates from magnetic field simulations and initial test results up to 50kW.

Pries, Jason↗