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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 307 records · Page 17
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DOE OSTI2022

One- and two-qubit gate infidelities due to motional errors in trapped ions and electrons

In this work, we derive analytic formulas that determine the effect of error mechanisms on one- and two-qubit gates in trapped ions and electrons. First, we analyze and derive expressions for the effect of driving field inhomogeneities on one-qubit gate fidelities. Second, we derive expressions for two-qubit gate errors, including static motional frequency shifts, trap anharmonicities, field inhomogeneities, heating, and motional dephasing. We show that, for small errors, each of our expressions for infidelity converges to its respective numerical simulation; this shows that our formulas are sufficient for determining error budgets for high-fidelity gates, obviating numerical simulations in future projects. All of the derivations are general to any internal qubit state, and any mixed state of the ion crystal's motion that is diagonal in the Fock state basis. Our treatment of static motional frequency shifts, trap anharmonicities, heating, and motional dephasing apply to both laser-based and laser-free gates, while our treatment of field inhomogeneities applies to laser-free systems.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2020

Density functionals combined with van der Waals corrections for graphene adsorbed on layered materials

Standard density functionals like Perdew-Burke-Ernzerhof (PBE) or Strongly Constrained and Appropriately Normed (SCAN) need a correction to account for long-range van der Waals (vdW) interaction. The damped Zaremba-Kohn model (dZK) starts from a formula for the vdW interaction of a distant atom with a solid surface, both with known dielectric properties, damps this formula at short range, and then treats an adsorbed molecule or atomic layer as a collection of renormalized atoms. Here, we extend this model to graphene adsorbed on semiconducting layered materials [bulk graphite and hBN, and multilayer transition metal dichalcogenides (TMD)] by including the C 4 asymptotic term and multiple electrostatic image effects due to the two surfaces of the substrate slabs in the vdW calculations. The resulting SCAN-vdW-dZK and PBE-vdW-dZK give approximately the same results for the systems considered here, in agreement with available reference values. The predicted binding energies are roughly 25% lower than those from SCAN+rVV10 (revised Vydrov and Van Voorhis 2010), and ~15% lower than those from PBE+rVV10. Since SCAN+rVV10 usually overbinds, the predicted binding energies by SCAN-vdW-dZK and PBE-vdW-dZK are expected to be closer to the true values. The predicted equilibrium binding distances from SCAN-vdW-dZK and PBE-vdW-dZK are slightly larger (~ 0.1 Å) than those from SCAN+rVV10, and close to those from SCAN. The binding energy depends upon the number of substrate layers more strongly in vdW-dZK than in rVV10. The C 4 -term contributions can be 40% of the total vdW interactions, and the C 5 term contributes about 10%. The effects of images and the back surfaces of slabs can contribute about 4–10%. The vdW interaction energy power laws from the vdW-dZK model for graphene adsorbed on multilayer MoS 2 show slowly varying decay to the pairwise exponent –4 with increasing separation $\textit{D}$, very similar to those obtained from the random-phase approximation and renormalization group approaches by Ambrosetti et al. Both the PBE-vdW-dZK and SCAN-vdW-dZK give a greater increase in interlayer binding energy when the TMD substrate changes from monolayer to four-layer for the graphene/TMD adsorption systems. This is consistent with the relevant electron-energy-loss spectroscopy experimental results showing increased dielectric response from the substrate with increasing substrate layer number.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2020

Speed of quantum information spreading in chaotic systems

In this work, we present a general theory of quantum information propagation in chaotic quantum many-body systems. The generic expectation in such systems is that quantum information does not propagate in localized form; instead, it tends to spread out and scramble into a form that is inaccessible to local measurements. To characterize this spreading, we define an information speed via a quench-type experiment and derive a general formula for it as a function of the entanglement density of the initial state. As the entanglement density varies from zero to one, the information speed varies from the entanglement speed to the butterfly speed. We verify that the formula holds both for a quantum chaotic spin chain and in field theories with an AdS/CFT gravity dual. For the second case, we study in detail the dynamics of entanglement in two-sided Vaidya-AdS-Reissner-Nordstrom black branes. We also show that, with an appropriate decoding process, quantum information can be construed as moving at the information speed, and, in the case of AdS/CFT, we show that a locally detectable signal propagates at the information speed in a spatially local variant of the traversable wormhole setup.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2020

Thermodynamics of energy magnetization

We construct the thermodynamics of energy magnetization in the presence of gravitomagnetic field. We show that the free energy must be modified to account for the modification of the energy current operator in the presence of a confining potential. The explicit expression of the energy magnetization is derived for a periodic system, and the Streda formula for the thermal Hall conductivity is rigorously established. Furthermore, we demonstrate our theory of the energy magnetization and the Streda formula in a Chern insulator.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2021

Collective excitations and quantum incompressibility in electron-hole bilayers

In this study, we apply quantum continuum mechanics to the calculation of the excitation spectrum of a coupled electron-hole bilayer. The theory expresses excitation energies in terms of ground-state intra- and interlayer pair correlation functions, which are available from quantum Monte Carlo calculations. The final formulas for the collective modes deduced from this approach coincide with the formulas obtained in the “quasilocalized particle approximation” by Kalman et al. [G. Kalman, V. Valtchinov, and K. I. Golden, Phys. Rev. Lett. 82 , 3124 (1999) ], and likewise the theory predicts the existence of gapped excitations in the charged channel, with the gap arising from electron-hole correlation. An immediate consequence of the gap is that the static density-density response function of the charged channel vanishes as q 2 for wave vector q → 0 , rather than linearly in q , as commonly expected. In this sense, the system is incompressible . This feature, which has no analog in the classical electron-hole plasma, is consistent with the existence of an excitonic ground state and implies the existence of a discontinuity in the chemical potential of electrons and holes when the numbers of electrons and holes are equal. It should be experimentally observable by monitoring the densities of electrons and holes in response to potentials that attempt to change these densities in opposite directions.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2020

Extracting free-space observables from trapped interacting clusters

The energy spectrum of two short-range interacting particles in a harmonic potential trap has previously been related to free-space scattering phase shifts. But the existing formula for systems with a nonzero interaction range is exact only in the limit of an infinitely shallow trap. Here I provide a systematically improved formula—describing the low-energy dynamics—that enables the use of finite traps. This paves the way for extracting nuclear scattering phase shifts from ab initio nuclear many-body structure calculations, a long-sought goal in nuclear physics. In this work, the derivation establishes effective field theory as a powerful framework for studying the connection between structure information of a trapped system (with two or more subclusters) and continuum physics in the fields of both nuclear and condensed-matter physics.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2021

Statistical uncertainties of the v n { 2 k } harmonics from Q cumulants

Analytic formulas to calculate statistical uncertainties of v n { 2 k } harmonics extracted from the Q cumulants are presented. The Q cumulants are multivariate polynomial functions of the weighted means of 2m-particle azimuthal correlations, $\langle\langle 2 m \rangle\rangle$. Variances and covariances of the $\langle\langle 2 m \rangle\rangle$ are included in the analytic formulas of the uncertainties that can be calculated simultaneously with the calculations of the v n { 2 k } harmonics. The calculations are performed using a simple toy model, which roughly simulates elliptic flow azimuthal anisotropy with magnitudes around 0.05. The results are compared with the results obtained by the many data subsets, and by the bootstrapping method. The first one is a common way of estimation of the statistical uncertainties of the v n { 2 k } harmonics in a real experiment. In order to increase precision in the measurement of the v n { 2 k } harmonics, a large number of 15 000 subsets and the same number of the resampling in the bootstrap method is used. Unlike the other ways of the analytic calculation of the v n { 2 k } statistical uncertainties, our proposal that includes the use of squared weights in the calculation of both the variances and covariances, gives the best agreement with the results obtained from the subsets and bootstrap method. Additionally, a recurrence equation between Q cumulants of any order is also presented.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2024

Pseudo-neutrino versus recoil formalism for 4-body phase space and applications to nuclear decay

It is well known that the traditional treatment of radiative corrections that utilizes the “true” neutrino momentum$\overrightarrow{p}_v$ in the differential decay rate formula could lead to a ~α/π systematic error in certain observables due to the mistreatment of 4-body kinematics. Here, I investigate the theory structure of one of the proposed solutions, the “v'-formalism”, in the nonrecoil limit appropriate for neutron and nuclear β decays. I derive an elegant master formula for the 4-body phase space and use it to reanalyze the spectrum-dependent “outer” radiative corrections to the β decay of a polarized spin-half nucleus; a complete set of analytic expressions is provided for readers to straightforwardly obtain the final numerical results. Furthermore, I compare it to the “recoil formalism” where the energy of the recoil nucleus is fixed.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2020

Estimates for disk and ejecta masses produced in compact binary mergers

There is irresistible observational evidence that binary systems of compact objects with at least one neutron star are progenitors of short gamma-ray bursts, as well as a production site for r -process elements, at least when some matter is ejected by the merger and an accretion disk is formed. Here, the recent observations of gravitational waves in conjunction with electromagnetic counterparts fuel the need for models predicting the outcome of a given merger and the properties of the associated matter outflows as a function of the initial parameters of the binary. In this manuscript, we provide updated fitting formulas that estimate the disk mass for double neutron star binaries and ejecta masses for black hole–neutron star and double neutron star binaries, fitted to the results of numerical simulations. Our proposed fitting formulas improve on existing models by aiming for analytical simplicity, by covering a larger region of parameter space, and by accounting for regions of parameter space not covered by numerical simulations but with physically manifest merger outcomes.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2024

Final burst of the moving mirror is unrelated to the partner mode of analog Hawking radiation

Flying mirrors with appropriate trajectories have been recognized as an analog system that mimics black hole Hawking evaporation and have been widely investigated. It has recently been suggested that the partner mode of the analog Hawking radiation emitted from a moving mirror would manifest itself through a final burst when the mirror executes a sudden stop. Here, in this study, we argue the opposite via the partner formula for the moving mirror model. By expanding the theoretical foundation of the partner formula and augmenting it with numerical analysis, we demonstrate that the supposed final burst is induced by a shock that requires the input of external energy, whereas the Hawking radiation partner mode, which is associated with the zero-point vacuum fluctuations, is not responsible for the burst.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2025

Review of Particle Physics - Scalar Mesons below 1 GeV

The summarizes much of particle physics and cosmology. Using data from previous editions, plus 2,717 new measurements from 869 papers, we list, evaluate, and average measured properties of gauge bosons and the recently discovered Higgs boson, leptons, quarks, mesons, and baryons. We summarize searches for hypothetical particles such as supersymmetric particles, heavy bosons, axions, dark photons, etc. Particle properties and search limits are listed in Summary Tables. We give numerous tables, figures, formulae, and reviews of topics such as Higgs Boson Physics, Supersymmetry, Grand Unified Theories, Neutrino Mixing, Dark Energy, Dark Matter, Cosmology, Particle Detectors, Colliders, Probability and Statistics. Most of the 120 reviews are updated, including many that are heavily revised. The is divided into two volumes. Volume 1 includes the Summary Tables and 97 review articles. Volume 2 consists of the Particle Listings and contains also 23 reviews that address specific aspects of the data presented in the Listings. The complete (both volumes) is published online on the website of the Particle Data Group () and in a journal. Volume 1 is available in print as the . A with the Summary Tables and essential tables, figures, and equations from selected review articles is available in print, as a web version optimized for use on phones, and as an Android app. The 2024 edition of the Review of Particle Physics should be cited as: S. Navas et al. (Particle Data Group), Phys. Rev. D 110, 030001 (2024)© 20242024

Navas, S. [Universidad de Granada]↗
DOE OSTI2024

Measurement of single top-quark production in association with a W boson in pp collisions at $\sqrt{s}$ =13 TeV with the ATLAS detector

The inclusive cross section for the production of a single top quark in association with a Formula Presented boson is measured using Formula Presented of proton-proton collision data collected with the ATLAS detector at $\sqrt{s}$ =13 TeV. Events containing two charged leptons and at least one jet identified as originating from a b-quark are selected. A multivariate discriminant is constructed to separate the tW signal from the $t\bar{t}$ background. The cross section is extracted using a profile likelihood fit to the signal and control regions and it is measured to be σ tW = 75$^{+15}_{–14}$, in good agreement with the Standard Model prediction. The measured cross section is used to extract a value for the left-handed form factor at the Wtb vertex times the Cabibbo-Kobayashi-Maskawa matrix element |$f$ LV $V$ tb | of 0.97±0.10.

Cabibbo–Kobayashi–Maskawa matrix↗
DOE OSTI2024

Collinear limit of the four-point energy correlator in N = 4 supersymmetric Yang-Mills theory

We present a compact formula, expressed in terms of classical polylogarithms up to weight three, for the leading order four-point energy correlator in maximally supersymmetric Yang-Mills theory, in the limit where the four detectors are collinear. This formula is derived by combining a simplified, manifestly dual conformal invariant form of the 1 → 4 splitting function obtained from the square of the tree-level five-particle form factor of stress-tensor multiplet operators, with a novel integration-by-parts algorithm operating directly on Feynman parameter integrals. Our results provide valuable data for exploring the structure of physical observables in perturbation theory, and for calculations of jet substructure observables in quantum chromodynamics. Published by the American Physical Society 2024

Chicherin, Dmitry (ORCID:000000028985084X)↗
DOE OSTI2020

Calculation of electron-ion temperature equilibration rates and friction coefficients in plasmas and liquid metals using quantum molecular dynamics

In this work, we discuss a method to calculate with quantum molecular dynamics simulations the rate of energy exchanges between electrons and ions in two-temperature plasmas, liquid metals, and hot solids. Promising results from this method were recently reported for various materials and physical conditions. Like other ab initio calculations, the approach offers a very useful comparison with the experimental measurements and permits an extension into conditions not covered by the experiments. The energy relaxation rate is related to the friction coefficients felt by individual ions due to their nonadiabatic interactions with electrons. Each coefficient satisfies a Kubo relation given by the time integral of the autocorrelation function of the interaction force between an ion and the electrons. These Kubo relations are evaluated using the output of quantum molecular dynamics calculations in which electrons are treated in the framework of finite-temperature density functional theory. The calculation presents difficulties that are unlike those encountered with the Kubo formulas for the electrical and thermal conductivities. In particular, the widely used Kubo-Greenwood approximation is inapplicable here. Indeed, the friction coefficients and the energy relaxation rate diverge in this approximation since it does not properly account for the electronic screening of electron-ion interactions. The inclusion of screening effects considerably complicates the calculations. We discuss the physically motivated approximations we applied to deal with these complications in order to investigate a widest range of materials and physical conditions. Unlike the standard method used for the electronic conductivities, the Kubo formulas are evaluated directly in the time domain and not in the energy domain, which spares one from needing to introduce an extraneous undetermined numerical parameter to account for the discrete character of the numerical density of states. We highlight interesting properties of the energy relaxation rate not shared by other electronic properties, in particular its self-averaging character. We then present a detailed parametric and convergence study with the numerical parameters, including the system size, the number of bands and k-points, and the physical approximations for the dielectric function and the exchange-correlation energy.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2020

Finite-temperature many-body perturbation theory in the canonical ensemble

Benchmark data are presented for the zeroth- through third-order many-body perturbation corrections to the electronic Helmholtz energy, internal energy, and entropy in the canonical ensemble in a wide range of temperature. They are determined as numerical λ-derivatives of the respective quantities computed by thermal full configuration interaction with a perturbation-scaled Hamiltonian, $\hat{H} = \hat{H}_0 + λ\hat{V}$. Sum-over-states analytical formulas for up to the third-order corrections to these properties are also derived as analytical λ-derivatives. These formulas, which are verified by exact numerical agreement with the benchmark data, are given in terms of the Hirschfelder–Certain degenerate perturbation energies and should be valid for both degenerate and nondegenerate reference states at any temperature down to zero. Further, the results in the canonical ensemble are compared with the same in the grand canonical ensemble.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2023

Finite-size effects in the static structure factor S ( k ) and S ( 0 ) for a two-dimensional Yukawa liquid

Finite-size effects in the static structure factor S(k) are analyzed for an amorphous substance. As the number of particles is reduced, S(0) increases greatly, up to an order of magnitude. Meanwhile, there is a decrease in the height of the first peak S peak. These finite-size effects are modeled accurately by the Binder formula for S(0) and our empirical formula for S peak. Procedures are suggested to correct for finite-size effects in S(k) data and in the hyperuniformity index H ≡ S(0)/S peak. These principles generally apply to S(k) obtained from particle positions in noncrystalline substances. As a result, the amorphous substance we simulate is a two-dimensional liquid, with a soft Yukawa interaction modeling a dusty plasma experiment.

2-dimensional systems↗
DOE OSTI2021

Intrinsic Anomalous Hall Conductivity in a Nonuniform Electric Field

We study how the intrinsic anomalous Hall conductivity is modified in two-dimensional crystals with broken time-reversal symmetry due to weak inhomogeneity of the applied electric field. Focusing on a clean noninteracting two-band system without band crossings, we derive the general expression for the Hall conductivity at small finite wave vector q to order q 2 , which governs the Hall response to the second gradient of the electric field. Using the Kubo formula, we show that the answer can be expressed through the Berry curvature, Fubini-Study quantum metric, and the rank-3 symmetric tensor which is related to the quantum geometric connection and physically corresponds to the gauge-invariant part of the third cumulant of the position operator. We further compare our results with the predictions made within the semiclassical approach. By deriving the semiclassical equations of motion, we reproduce the result obtained from the Kubo formula in some limits. We also find, however, that the conventional semiclassical description in terms of the definite position and momentum of the electron is not fully consistent because of singular terms originating from the Heisenberg uncertainty principle. We thus present a clear example of a case when the semiclassical approach inherently suffers from the uncertainty principle, implying that it should be applied to systems in nonuniform fields with extra care.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2021

Microscopic Theory of Fluctuating Hydrodynamics in Nonlinear Lattices

The theory of fluctuating hydrodynamics has been an important tool for analyzing macroscopic behavior in nonlinear lattices. However, despite its practical success, its microscopic derivation is still incomplete. In this work, we provide the microscopic derivation of fluctuating hydrodynamics, using the coarse-graining and projection technique; the equivalence of ensembles turns out to be critical. The Green-Kubo (GK)-like formula for the bare transport coefficients are presented in a numerically computable form. Our numerical simulations show that the bare transport coefficients exist for a sufficiently large but finite coarse-graining length in the infinite lattice within the framework of the GK-like formula. Finally, this demonstrates that the bare transport coefficients uniquely exist for each physical system.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗