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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 505 records · Page 28
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DOE OSTI2024

Exact evaluation of large-charge correlation functions in nonrelativistic conformal field theory

The large-charge master field which generates all n -point correlation functions with an insertion of large charge Q in nonrelativistic conformal field theory is obtained. This field is used to compute Schrödinger-invariant n -point correlation functions of large-charge operators via a direct evaluation of the path integral. Conformal dimensions are found to agree with calculations based on the state-operator correspondence. The master field solution exhibits an emergent harmonic trap whose frequency is a function of the Euclidean time. The large-charge effective action with operator insertions describes a droplet of superfluid matter whose spatial size scales with the time separation of sources. The solution is used to compute Schrödinger symmetry breaking corrections in the large-charge effective field theory (EFT) due to a finite scattering length in the fundamental theory of fermions near unitarity. The scaling of these effects in the large-charge power counting scheme is established, and the size of the effects is quantified using input from quantum Monte Carlo simulations of the near-unitary gas, as well as from the large- N expansion at large charge. Published by the American Physical Society 2024

Astronomy & Astrophysics↗
DOE OSTI2024

Generalized entanglement capacity of de Sitter space

Near horizons, quantum fields of low spin exhibit densities of states that behave asymptotically like 1 + 1 dimensional conformal field theories. In effective field theory, imposing some short-distance cutoff, one can compute thermodynamic quantities associated with the horizon, and the leading cutoff sensitivity of the heat capacity is found to equal to the leading cutoff sensitivity of the entropy. One can also compute contributions to the thermodynamic quantities from the gravitational path integral. For the cosmological horizon of the static patch of de Sitter space, a natural conjecture for the relevant heat capacity is shown to equal the Bekenstein-Hawking entropy. These observations allow us to extend the well-known notion of the generalized entropy to a generalized heat capacity for the static patch of de Sitter (dS). The finiteness of the entropy and the nonvanishing of the generalized heat capacity suggest it is useful to think about dS as a state in a finite dimensional quantum gravity model that is not maximally uncertain. Published by the American Physical Society 2024

Astronomy & Astrophysics↗
DOE OSTI2024

Dimer piling problems and interacting field theory

The dimer tiling problem asks in how many ways can the edges of a graph be covered by dimers so that each site is covered once. In the special case of a planar graph, this problem has a solution in terms of a free fermionic field theory. We rediscover and explore an expression for the number of coverings of an arbitrary graph by arbitrary objects in terms of an interacting fermionic field theory first proposed by Samuel. Generalizations of the dimer tiling problem, which we call “dimer piling problems,” demand that each site be covered N times by indistinguishable dimers. Our field theory provides a solution of these problems in the large- N limit. We give a similar path integral representation for certain lattice coloring problems. Published by the American Physical Society 2024

Astronomy & Astrophysics↗
DOE OSTI2025

Possible origin of α -vacua as the initial state of the Universe

We investigate the cosmological observables using the Euclidean path integral approach. Specifically, we study both the no-boundary compact instantons scenario and the Euclidean wormholes scenario that can induce the creation of two universes from nothing. It is known that perturbations associated with the no-boundary scenario can only be consistent with the Bunch-Davies vacuum. Here, in this study, we demonstrate that the Euclidean wormholes can allow for a de Sitter invariant vacuum, the so-called α -vacua state, where the Bunch-Davies vacuum is a special case. This therefore provides the α -vacua a geometrical origin. As an aside, we discuss a subtle phase issue when considering the power spectrum related to α -vacua in the closed universe framework.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2017

Worldline construction of a covariant chiral kinetic theory

Here, we discuss a novel worldline framework for computations of the chiral magnetic effect (CME) in ultrarelativistic heavy-ion collisions. Starting from the fermion determinant in the QCD effective action, we show explicitly how its real part can be expressed as a supersymmetric worldline action of spinning, colored, Grassmannian particles in background fields. Restricting ourselves for simplicity to spinning particles, we demonstrate how their constrained Hamiltonian dynamics arises for both massless and massive particles. In a semiclassical limit, this gives rise to the covariant generalization of the Bargmann-Michel-Telegdi equation; the derivation of the corresponding Wong equations for colored particles is straightforward. In a previous paper [N. Mueller and R. Venugopalan, arXiv:1701.03331.], we outlined how Berry’s phase arises in a nonrelativistic adiabatic limit for massive particles. We extend the discussion here to systems with a finite chemical potential. We discuss a path integral formulation of the relative phase in the fermion determinant that places it on the same footing as the real part. We construct the corresponding anomalous worldline axial-vector current and show in detail how the chiral anomaly appears. Our work provides a systematic framework for a relativistic kinetic theory of chiral fermions in the fluctuating topological backgrounds that generate the CME in a deconfined quark-gluon plasma. Finally, we outline some further applications of this framework in many-body systems.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2017

Evolution equations for connected and disconnected sea parton distributions

It has been observed here from the path-integral formulation of the hadronic tensor that there are connected sea and disconnected sea partons. The former is responsible for the Gottfried sum rule violation primarily and evolves the same way as the valence. Therefore, the DGLAP evolution equations can be extended to accommodate them separately. We report on its consequences and implications vis-a-vis lattice calculations.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2019

Quantum chameleons

We initiate a quantum treatment of chameleonlike particles, deriving classical and quantum forces directly from the path integral. It is found that the quantum force can potentially dominate the classical one by many orders of magnitude.We calculate the quantum chameleon pressure between infinite plates, which is found to interpolate between the Casimir and the integrated Casimir-Polder pressures, respectively in the limits of full screening and no screening. To this end we calculate the chameleon propagator in the presence of an arbitrary number of one-dimensional layers of material. For the Eöt-Wash experiment, the five-layer propagator is used to take into account the intermediate shielding sheet, and it is found that the presence of the sheet enhances the quantum pressure by two orders of magnitude. As an example of implication, we show that in both the standard chameleon and symmetron models, large and previously unconstrained regions of the parameter space are excluded once the quantum pressure is taken into account.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2020

Correlations between conduction electrons in dense plasmas

Most treatments of electron-electron correlations in dense plasmas either ignore them entirely (random phase approximation) or neglect the role of ions (jellium approximation). In this work, we go beyond both these approximations to derive a formula for the electron-electron static structure factor which properly accounts for the contributions of both ionic structure and quantum-mechanical dynamic response in the electrons. The result can be viewed as a natural extension of the quantum Ornstein-Zernike theory of ionic and electronic correlations, and it is suitable for dense plasmas in which the ions are classical and the conduction electrons are quantum-mechanical. Here, the corresponding electron-electron pair distribution functions are compared with the results of path integral Monte Carlo simulations, showing good agreement whenever no strong electron resonance states are present. We construct approximate potentials of mean force which describe the effective screened interaction between electrons. Significant deviations from Debye-Hückel screening are present at temperatures and densities relevant to high-energy density experiments involving warm and hot dense plasmas. The presence of correlations between conduction electrons is likely to influence the electron-electron contribution to the electrical and thermal conductivity. It is expected that excitation processes involving the conduction electrons (e.g., free-free absorption) will also be affected.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2022

Experimental evidence of early-time saturation of the ion-Weibel instability in counterstreaming plasmas of CH, Al, and Cu

The collisionless ion-Weibel instability is a leading candidate mechanism for the formation of collisionless shocks in many astrophysical systems, where the typical distance between particle collisions is much larger than the system size. Multiple laboratory experiments aimed at studying this process utilize laser-driven (I≳10 15 W/cm 2 ), counterstreaming plasma flows (V≲ 2000 km/s) to create conditions unstable to Weibel-filamentation and growth. This technique intrinsically produces temporally varying plasma conditions at the midplane of the interaction where Weibel-driven B fields are generated and studied. Experiments discussed herein demonstrate robust formation of Weibel-driven B fields under multiple plasma conditions using CH, Al, and Cu plasmas. Linear theory based on benchmarked radiation-hydrodynamic FLASH calculations is compared with Fourier analyses of proton images taken ~5–6 linear growth times into the evolution. Our new analyses presented here indicate that the low-density, high-velocity plasma-conditions present during the first linear-growth time (~300–500 ps) sets the spectral characteristics of Weibel filaments during the entire evolution. It is shown that the dominant wavelength (~300 μm) at saturation persists well into the nonlinear phase, consistent with theory under these experimental conditions. However, estimates of B-field strength, while difficult to determine accurately due to the path-integrated nature of proton imaging, are shown to be in the ~10–30 T range, an order of magnitude above the expected saturation limit in homogenous plamas but consistent with enhanced B fields in the midplane due to temporally varying plasma conditions in experiments.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2023

Properties of carbon up to 10 million kelvin from Kohn-Sham density functional theory molecular dynamics

Accurately modeling dense plasmas over wide-ranging conditions of pressure and temperature is a grand challenge critically important to our understanding of stellar and planetary physics as well as inertial confinement fusion. In this work, we employ Kohn-Sham density functional theory (DFT) molecular dynamics (MD) to compute the properties of carbon at warm and hot dense matter conditions in the vicinity of the principal Hugoniot. In particular, we calculate the equation of state (EOS), Hugoniot, pair distribution functions, and diffusion coefficients for carbon at densities spanning 8 g/$\mathrm{cm^3}$ to 16 g/$\mathrm{cm^3}$ and temperatures ranging from 100 kK to 10 MK using the Spectral Quadrature method. Here, we find that the computed EOS and Hugoniot are in good agreement with path integral Monte Carlo results and the sesame database. Additionally, we calculate the ion-ion structure factor and viscosity for selected points. All results presented are at the level of full Kohn-Sham DFT-MD, free of empirical parameters, average-atom, and orbital-free approximations employed previously at such conditions.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2024

Proton radiography inversions with source extraction and comparison to mesh methods

In this article, proton radiography is a central diagnostic technique for measuring electromagnetic (EM) fields in high-energy-density, laser-produced plasmas. In this technique, protons traverse the plasma where they accumulate small EM deflections which lead to variations in the proton fluence pattern on a detector. Path-integrated EM fields can then be extracted from the fluence image through an inversion process. In this work, experiments of laser-driven foils were conducted on the OMEGA laser and magnetic field reconstructions were performed using both “fluence-based” techniques and high-fidelity “mesh-based” methods. We implement nonzero boundary conditions into the inversion and show their importance by comparing against mesh measurements. Good agreement between the methods is found only when nonzero boundary conditions are used. We also introduce an approach to determine the unperturbed proton source profile, which is a required input in fluence reconstruction algorithms. In this approach, a fluence inversion is embedded inside of a mesh region, which provides overconstrained magnetic boundary conditions. A source profile is then iteratively optimized to satisfy the boundary information. This method substantially enhances the accuracy in recovering EM fields. Lastly, we propose a scheme to quantify uncertainty in the final inversion that is introduced through errors in the source retrieval.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2016

Solution to sign problems in models of interacting fermions and quantum spins

We show that solutions to fermion sign problems that are found in the formulation where the path integral is expanded in powers of the interaction in continuous time can be extended to systems involving fermions interacting with dynamical quantum spins. While these sign problems seem unsolvable in the auxiliary field approach, solutions emerge in the world-line representation of quantum spins. Combining this idea with meron-cluster methods, we are able to further extend the class of models that are solvable. We demonstrate these solutions to sign problems by considering several examples of strongly correlated systems that contain the physics of semimetals, insulators, superfluidity, and antiferromagnetism.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2017

First-principles equation of state and shock compression predictions of warm dense hydrocarbons

We use path integral Monte Carlo and density functional molecular dynamics to construct a coherent set of equations of state (EOS) for a series of hydrocarbon materials with various C:H ratios (2:1, 1:1, 2:3, 1:2, and 1:4) over the range of 0.07–22.4gcm –3 and 6.7 × 10 3 – 1.29 × 10 8 K. The shock Hugoniot curve derived for each material displays a single compression maximum corresponding to K-shell ionization. For C:H = 1:1, the compression maximum occurs at 4.7-fold of the initial density and we show radiation effects significantly increase the shock compression ratio above 2 Gbar, surpassing relativistic effects. The single-peaked structure of the Hugoniot curves contrasts with previous work on higher-Z plasmas, which exhibit a two-peak structure corresponding to both K- and L-shell ionization. Analysis of the electronic density of states reveals that the change in Hugoniot structure is due to merging of the L-shell eigenstates in carbon, while they remain distinct for higher-Z elements. Lastly, we show that the isobaric-isothermal linear mixing rule for carbon and hydrogen EOS is a reasonable approximation with errors better than 1% for stellar-core conditions.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2018

Theoretical and experimental investigation of the equation of state of boron plasmas

We report a theoretical equation of state (EOS) table for boron across a wide range of temperatures (5.1 10 4 {5.2 10 8 K) and densities (0.25{49 g/cm 3 ), and experimental shock Hugoniot data at unprecedented high pressures (5608 118 GPa). The calculations are performed with first-principles methods combining path integral Monte Carlo (PIMC) at high temperatures and density functional theory molecular dynamics (DFT-MD) methods at lower temperatures. PIMC and DFT-MD cross-validate each other by providing coherent EOS (difference <1.5 Hartree/boron in energy and <5% in pressure) at 5.1 10 5 K. The Hugoniot measurement is conducted at the National Ignition Facility using a planar shock platform. The pressure-density relation found in our shock experiment is on top of the shock Hugoniot profile predicted with our first-principles EOS and a semi-empirical EOS table (LEOS 50). We investigate the self diffusivity and the effect of thermal and pressure-driven ionization on the EOS and shock compression behavior in high pressure and temperature conditions. We also study the sensitivity of a polar direct-drive exploding pusher platform to pressure variations based on applying pressure multipliers to LEOS 50 and by utilizing a new EOS model based on our ab initio simulations via 1D radiation-hydrodynamic calculations. The results are valuable for future theoretical and experimental studies and engineering design in high energy density research.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2019

Atom-in-jellium equations of state in the high-energy-density regime

Recent path-integral Monte Carlo and quantum molecular dynamics simulations have shown that computationally efficient average-atom models can predict thermodynamic states in warm dense matter to within a few percent. One such atom-in-jellium model has typically been used to predict the electron-thermal behavior only, although it was previously developed to predict the entire equation of state (EOS). In this work, we report completely atom-in-jellium EOS calculations for Be, Al, Si, Fe, and Mo, as elements representative of a range of atomic number and low-pressure electronic structure. Comparing the more recent method of pseudoatom molecular dynamics, atom-in-jellium results were similar: sometimes less accurate, sometimes more. All these techniques exhibited pronounced effects of electronic shell structure in the shock Hugoniot which are not captured by Thomas-Fermi based EOS. These results demonstrate the value of a hierarchical approach to EOS construction, using average-atom techniques with shell structure to populate a wide-range EOS surface efficiently, complemented by more rigorous three-dimensional multiatom calculations to validate and adjust the EOS.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2016

Dislocation Structure and Mobility in hcp He 4

We assess the core structure and mobility of the screw and edge basal-plane dislocations in hcp 4 He using path-integral Monte Carlo simulations. Our findings provide key insights into recent interpretations of giant plasticity and mass flow junction experiments. First, both dislocations are dissociated into nonsuperfluid Shockley partial dislocations separated by ribbons of stacking fault, suggesting that they are unlikely to act as one-dimensional channels that may display Lüttinger-liquid-like behavior. Second, the centroid positions of the partial cores are found to fluctuate substantially, even in the absence of applied shear stresses. This implies that the lattice resistance to motion of the partial dislocations is negligible, consistent with the recent experimental observations of giant plasticity. Our results indicate that both the structure of the partial cores and the zero-point fluctuations play a role in this extreme mobility.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2016

Direct Approach to Quantum Tunneling

The decay rates of quasistable states in quantum field theories are usually calculated using instanton methods. Standard derivations of these methods rely in a crucial way upon deformations and analytic continuations of the physical potential and on the saddle-point approximation. While the resulting procedure can be checked against other semiclassical approaches in some one-dimensional cases, it is challenging to trace the role of the relevant physical scales, and any intuitive handle on the precision of the approximations involved is at best obscure. In this Letter, we use a physical definition of the tunneling probability to derive a formula for the decay rate in both quantum mechanics and quantum field theory directly from the Minkowski path integral, without reference to unphysical deformations of the potential. There are numerous benefits to this approach, from nonperturbative applications to precision calculations and aesthetic simplicity.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2018

Nonempirical Semilocal Free-Energy Density Functional for Matter under Extreme Conditions

The potential for density functional calculations to predict the properties of matter under extreme conditions depends crucially upon having a non-empirical approximate free energy functional valid over a wide range of state conditions. Unlike the ground-state case, no such free-energy exchange- correlation (XC) functional exists. We remedy that with systematic construction of a generalized gradient approximation XC free-energy functional based on rigorous constraints, including the free energy gradient expansion. The new functional provides the correct temperature dependence in the slowly varying regime and the correct zero-T, high-T, and homogeneous electron gas limits. Application in Kohn-Sham calculations for hot electrons in a static fcc Aluminum lattice demon- strates the combined magnitude of thermal and gradient effects handled by this functional. Its accuracy in the increasingly important warm dense matter regime is attested by excellent agreement of the calculated deuterium equation of state with reference path integral Monte Carlo results at intermediate and elevated temperatures and by low density Al calculations over a wide T range.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗