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At least 127 records · Page 7

Microscopic conductivity of lattice fermions at equilibrium. I. Non-interacting particles

We consider free lattice fermions subjected to a static bounded potential and a time- and space-dependent electric field. For any bounded convex region ℛ ⊂ ℝ{sup d} (d ≥ 1) of space, electric fields E within R drive currents. At leading order, uniformly with respect to the volume |R| of R and the particular choice of the static potential, the dependency on E of the current is linear and described by a conductivity (tempered, operator-valued) distribution. Because of the positivity of the heat production, the real part of its Fourier transform is a positive measure, named here (microscopic) conductivity measure of R, in accordance with Ohm’s law in Fourier space. This finite measure is the Fourier transform of a time-correlation function of current fluctuations, i.e., the conductivity distribution satisfies Green–Kubo relations. We additionally show that this measure can also be seen as the boundary value of the Laplace–Fourier transform of a so-called quantum current viscosity. The real and imaginary parts of conductivity distributions are related to each other via the Hilbert transform, i.e., they satisfy Kramers–Kronig relations. At leading order, uniformly with respect to parameters, the heat production is the classical work performed by electric fields on the system in presence of currents. The conductivity measure is uniformly bounded with respect to parameters of the system and it is never the trivial measure 0 dν. Therefore, electric fields generally produce heat in such systems. In fact, the conductivity measure defines a quadratic form in the space of Schwartz functions, the Legendre–Fenchel transform of which describes the resistivity of the system. This leads to Joule’s law, i.e., the heat produced by currents is proportional to the resistivity and the square of currents.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Time-dependent density functional theory quantum transport simulation in non-orthogonal basis

Basing on the earlier works on the hierarchical equations of motion for quantum transport, we present in this paper a first principles scheme for time-dependent quantum transport by combining time-dependent density functional theory (TDDFT) and Keldysh's non-equilibrium Green's function formalism. This scheme is beyond the wide band limit approximation and is directly applicable to the case of non-orthogonal basis without the need of basis transformation. The overlap between the basis in the lead and the device region is treated properly by including it in the self-energy and it can be shown that this approach is equivalent to a lead-device orthogonalization. This scheme has been implemented at both TDDFT and density functional tight-binding level. Simulation results are presented to demonstrate our method and comparison with wide band limit approximation is made. Finally, the sparsity of the matrices and computational complexity of this method are analyzed.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Beyond the Rigid Lid: Baroclinic Modes in a Structured Atmosphere

Abstract The baroclinic-mode decomposition is a fixture of the tropical-dynamics literature because of its simplicity and apparent usefulness in understanding a wide range of atmospheric phenomena. However, its derivation relies on the assumption that the tropopause is a rigid lid that artificially restricts the vertical propagation of wave energy. This causes tropospheric buoyancy anomalies of a single vertical mode to remain coherent for all time in the absence of dissipation. Here, the authors derive the Green’s functions for these baroclinic modes in a two-dimensional troposphere (or, equivalently, a three-dimensional troposphere with one translational symmetry) that is overlain by a stratosphere. These Green’s functions quantify the propagation and spreading of gravity waves generated by a horizontally localized heating, and they can be used to reconstruct the evolution of any tropospheric heating. For a first-baroclinic two-dimensional right-moving or left-moving gravity wave with a characteristic width of 100 km, its initial horizontal shape becomes unrecognizable after 4 h, at which point its initial amplitude has also been reduced by a factor of 1/π. After this time, the gravity wave assumes a universal shape that widens linearly in time. For gravity waves on a periodic domain the length of Earth’s circumference, it takes only 10 days for the gravity waves to spread their buoyancy throughout the entire domain.

54 ENVIRONMENTAL SCIENCES↗

Theory of Nonlinear Diffusion with a Physical Gapped Mode

In a system with one conserved charge the charge diffusion is modified by nonlinear self-interactions within an effective field theory (EFT) of diffusive fluctuations. We include the slowest ultraviolet (UV) mode, constructing a UV-regulated EFT. The relaxation time of this UV mode is protected from renormalization, as supported by experimental data in a bad metal system. Furthermore, the retarded density-density Green’s function acquires four branch points, eventually increasing the range of applicability. We discuss the fate of long time tails as well as implications for the quark gluon plasma. Published by the American Physical Society 2024

Physics↗

Viscoelastic Response of Dispersed Entangled Polymer Melts

Any polymer synthesis routes result in molecular weight dispersity DAI, depending on the polymerization mechanism. The lowest dispersity polymers are those made by anionic and atom-transfer radical polymerization, which exhibit relatively narrow distributions DM=g,„1A172 — 1.02-1.04. This small divergence from monodispersity results in significant number of molecules that differ in their molecular weight from the average and their impact on the viscoelastic response remains an open question. Here the effects of low dispersity on stress relaxation and shear viscosity of entangled melts are studied using a coarse-grained model for polyethylene. Polymer melts with chain length dispersity set to follow a Schulz-Zimm distribution of Dm = 1.0 — 1.16 for an entangled polyethylene melt using molecular dynamic simulations. The systems were studied to times up to 800 ,us which is beyond the terminal time. These systems are compared to those with binary and ternary distributions. The stress relaxation functions were extracted from the Green-Kubo relation and from stress-strain relaxation following a uniaxial extension. We find on the entanglement time scale, both the mean squared displacement and the stress relaxation are independent of D m . The tube diameter and the rubbery plateau for entangled dynamics do not depend on D m . At longer times, the terminal relaxation time decreases as the faster motion of the shorter chains results in constraint release for the longer chains. Probing this low dispersity regime opens the way to evaluate the degree of dispersity that affects mechanical properties.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Evaluating and Improving the USGS 3D Seismic Velocity Model in the San Francisco East Bay by Integrating Earthquake Ground-Motion Simulations and Noise-Derived Empirical Green's Functions

Simulations of scenario earthquake ground motions play an increasingly important role in improving seismic hazard assessment. In the San Francisco Bay Area (SFBA) the USGS has developed a 3D geologic/seismic model. Simulations of large magnitude (M) 7 Hayward Fault scenario earthquakes show dramatic differences in peak ground motions across the fault, arising from wavespeed differences, which highlights the need to evaluate the model. Our comparison of observed and simulated waveforms from M 4 SFBA earthquakes reveals bias in the travel times of direct S-waves for paths crossing the East Bay Hills, east of Hayward Fault, suggests that the shear wavespeeds in the upper crust of the USGS 3D model are too low, resulting in large delay times of S-wave arrivals at the East Bay Hills. We also retrieved noise-derived Green's functions (NGFs) and examined the path-specific bias in the USGS 3D model. We systematically compared synthetic waveforms with the 3D velocity model and observed NGFs. Our result shows that the time lags between the synthetic and observed data ranging from 2-5 seconds for the ray paths propagating the East Bay Hills. This result also suggests that the SFBA 3D model generates arrivals that are too slow. Additionally, we evaluate the Rayleigh-wave ellipticity to evaluate the subsurface velocity beneath seismic stations. A lateral variation in Rayleigh-wave ellipticity across the Hayward fault is observed, which will contribute to refine the SFBA 3D velocity model.

58 GEOSCIENCES↗

A simulation-based model for understanding the time dependent x-ray drive asymmetries and error bars in indirectly driven implosions on the National Ignition Facility

Time-dependent low-mode asymmetries are believed to play a leading role in limiting the performance of current inertial confinement fusion implosions on the National Ignition Facility (NIF) [E. I. Moses et al., Phys. Plasmas 16, 041006 (2009)]. These long wavelength modes are initiated and driven by asymmetries in the x-ray flux from the hohlraum; however, the underlying hydrodynamics of the implosion also act to modify and amplify these asymmetries. Here we present here a simulation-based model connecting the time-dependent drive asymmetry seen by the capsule to the measured inflight and hot spot symmetries. This approach is based on a Green's function analysis for which we evaluate the response of the capsule to impulses of drive asymmetry at a series of times. Our model sheds new light on the sensitivity to the drive asymmetry of an imploded capsule, giving a new tool for design. Inverting the problem and finding the drive asymmetry needed to match the experimental data allow us to tightly constrain the drive asymmetry seen by the capsule, providing an error estimate on the result. Doing so, we are able to point out when and how the complex hohlraum simulations start to deviate from what they should obtain to match the experimental data. Ultimately, we project to use this model to make some experimental recommendations to fix the time-dependent low-mode asymmetry of indirectly driven implosions and identify additional measurements to further constrain the asymmetries with a view to improving target design on the NIF.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Leveraging Multiple Connected Traffic Light Signals in an Energy-Efficient Speed Planner

Connecting automated vehicles to traffic lights can lead to significant energy savings by enabling them to pass through intersections in an energy-efficient way without unnecessary stops. A cellular-based communication system connecting multiple traffic lights can help realize the full potential of energy-efficient driving at intersections. Thus, we propose a hierarchical speed planner that can leverage information from multiple connected traffic lights. The proposed speed planner consists of two modules: a green window selector and a reference trajectory generator. The green window selector, based on Dijkstra’s algorithm, finds a series of "green windows" for connected traffic lights that builds an energy-optimal path for vehicles to follow. The reference trajectory generator finds optimal entering times, based on the selected green window at each intersection, and then computes reference trajectories. Deriving and using analytical optimal entering speeds as a function of entering times allows us to guarantee the computational simplicity suitable for real-time implementation. We also demonstrate how to balance energy and traffic flow perspectives in the reference trajectory generator. Lastly, a high-fidelity simulation framework is used to evaluate the proposed speed planner and quantify the extent to which it can save energy in various real-world urban route scenarios.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

View factor estimation of hot spot velocities in inertial confinement fusion implosions at the National Ignition Facility

nertial confinement fusion (ICF) experiments at the National Ignition Facility (NIF) suffer from asymmetries in thex-ray drive that degrade capsule performance compared to expectations for a symmetric one-dimensional implosion.Mode 1, or pole-to-pole, drive asymmetry can reduce confinement and implosion efficiency, driving a bulk motion ofthe hot spot that is detectable with neutron diagnostics. Understanding and removing sources of mode 1 asymmetry inICF implosions is important for improving performance, and the three-dimensional nature of the problem makes high-resolution radiation-hydrodynamic modeling extremely computationally expensive. This work describes a reducedorder view factor model that calculates the drive asymmetry induced by beam-to-beam variations in laser delivery andhohlraum diagnostic windows along the equator. Capsule response is estimated by coupling to a Green’s function thatrelates final hot spot velocity to the applied time-varying mode 1 asymmetry. The model makes several predictionsabout the impact of mode 1 drivers such as laser delivery and target misalignment, and achieves good agreementin both magnitude and vector direction for several shots in three families of high-performance platforms. However,notable discrepancies suggest other potential sources of mode 1 asymmetry not captured by the model are also at play

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Exact solution of two simple non-equilibrium electron-phonon and electron-electron coupled systems: The atomic limit of the Holstein-Hubbard model and the generalized Hatsugai-Komoto model

One of the challenges in many-body physics is determining the effects of phonons on strongly correlated electrons. The difficulty arises from strong correlations at differing energy scales—for band metals, Migdal-Eliashberg theory accurately determines electron-phonon coupling effects due to the absence of vertex corrections, but strongly correlated electrons require a more complex description, and the standard Migdal-Eliashberg approach does not necessarily apply. In this work, we solve for the atomic limit Green's function of the Holstein-Hubbard model with both time-dependent electron-electron and electron-phonon couplings. Then, we examine the photoemission spectra of this model in and out of equilibrium. Next, we use similar methods to exactly solve an extended version of the Hatsugai-Komoto model and examine its behavior in and out of equilibrium. These calculations lead us to propose using the first moment of the photoemission spectra to signal non-equilibrium changes in electron-electron and electron-phonon couplings.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Relativistic spin hydrodynamics with torsion and linear response theory for spin relaxation

Using the second law of local thermodynamics and the first-order Palatini formalism, we formulate relativistic spin hydrodynamics for quantum field theories with Dirac fermions, such as QED and QCD, in a torsionful curved background. We work in a regime where spin density, which is assumed to relax much slower than other non-hydrodynamic modes, is treated as an independent degree of freedom in an extended hydrodynamic description. Spin hydrodynamics in our approach contains only three non-hydrodynamic modes corresponding to a spin vector, whose relaxation time is controlled by a new transport coefficient: the rotational viscosity. We study linear response theory and observe an interesting mode mixing phenomenon between the transverse shear and the spin density modes. We propose several field-theoretical ways to compute the spin relaxation time and the rotational viscosity, via the Green-Kubo formula based on retarded correlation functions.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Using the Chebychev expansion in quantum transport calculations

Irradiation by laser pulses and a fluctuating surrounding liquid environment can, for example, lead to time-dependent effects in the transport through molecular junctions. From the theoretical point of view, time-dependent theories of quantum transport are still challenging. In one of these existing transport theories, the energy-dependent coupling between molecule and leads is decomposed into Lorentzian functions. This trick has successfully been combined with quantum master approaches, hierarchical formalisms, and non-equilibrium Green’s functions. The drawback of this approach is, however, its serious limitation to certain forms of the molecule-lead coupling and to higher temperatures. Tian and Chen [J. Chem. Phys. 137, 204114 (2012)] recently employed a Chebychev expansion to circumvent some of these latter problems. Here, we report on a similar approach also based on the Chebychev expansion but leading to a different set of coupled differential equations using the fact that a derivative of a zeroth-order Bessel function can again be given in terms of Bessel functions. Test calculations show the excellent numerical accuracy and stability of the presented formalism. The time span for which this Chebychev expansion scheme is valid without any restrictions on the form of the spectral density or temperature can be determined a priori.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Classical and quantum computing of shear viscosity for ( 2 + 1 ) D SU(2) gauge theory

We perform a nonperturbative calculation of the shear viscosity for ( 2 + 1 )-dimensional SU(2) gauge theory by using the lattice Hamiltonian formulation. The retarded Green’s function of the stress-energy tensor is calculated from real time evolution via exact diagonalization of the lattice Hamiltonian with a local Hilbert space truncation, and the shear viscosity is obtained via the Kubo formula. When taking the continuum limit, we account for the renormalization group flow of the coupling but no additional operator renormalization. We find the ratio of the shear viscosity and the entropy density η s is consistent with a well-known holographic result 1 4 π at several temperatures on a 4 × 4 honeycomb lattice with the local electric representation truncated at j max = 1 2 . We also find the ratio of the spectral function and frequency ρ x y ( ω ) ω exhibits a peak structure when the frequency is small. Both the exact diagonalization method and simple matrix product state classical simulation method beyond j max = 1 2 on bigger lattices require exponentially growing resources. So we develop a quantum computing method to calculate the retarded Green’s function and analyze various systematics of the calculation including j max truncation and finite size effects, Trotter errors and the thermal state preparation efficiency. Our thermal state preparation method still requires resources that grow exponentially with the lattice size, but with a very small prefactor at high temperature. We test our quantum circuit on both the Quantinuum emulator and the IBM simulator for a small lattice and obtain results consistent with the classical computing ones. Published by the American Physical Society 2024

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Many-body Green’s function theory for electron-phonon interactions: The Kadanoff-Baym approach to spectral properties of the Holstein dimer

We present a Kadanoff-Baym formalism to study time-dependent phenomena for systems of interacting electrons and phonons in the framework of many-body perturbation theory. The formalism takes correctly into account effects of the initial preparation of an equilibrium state and allows for an explicit time-dependence of both the electronic and phononic degrees of freedom. The method is applied to investigate the charge neutral and non-neutral excitation spectra of a homogeneous, two-site, two-electron Holstein model. This is an extension of a previous study of the ground state properties in the Hartree (H), partially self-consistent Born (Gd) and fully self-consistent Born (GD) approximations published in Säkkinen et al. [J. Chem. Phys. 143, 234101 (2015)]. Here, the homogeneous ground state solution is shown to become unstable for a sufficiently strong interaction while a symmetry-broken ground state solution is shown to be stable in the Hartree approximation. Signatures of this instability are observed for the partially self-consistent Born approximation but are not found for the fully self-consistent Born approximation. By understanding the stability properties, we are able to study the linear response regime by calculating the density-density response function by time-propagation. This amounts to a solution of the Bethe-Salpeter equation with a sophisticated kernel. The results indicate that none of the approximations is able to describe the response function during or beyond the bipolaronic crossover for the parameters investigated. Overall, we provide an extensive discussion on when the approximations are valid and how they fail to describe the studied exact properties of the chosen model system.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Tidal Love numbers and Green’s functions in black hole spacetimes

Tidal interactions play a crucial role in deciphering gravitational wave signals emitted by the coalescence of binary systems. They are usually quantified by a set of complex coefficients which include tidal Love numbers, describing the conservative response to an external perturbation. In the static case, these are found to vanish exactly for asymptotically flat black holes in general relativity in four space-time dimensions, and recently they have been generalized to dynamical interactions. In the context of response theory, the retarded Green’s function provides the complete description of the behavior of dynamical systems. Here, in this work we investigate the relation between Love numbers and Green’s functions, and highlight the relevance of radiation reaction effects to their connection. As a special case, we discuss Banados-Teitelboim-Zanelli black holes, where the absence of radiative modes allows us to make a direct link between them.

classical black holes↗

Nonequilibrium spectral moment sum rules of the Holstein–Hubbard model

Abstract We derive a general procedure for evaluating the n th derivative of a time-dependent operator in the Heisenberg representation and employ this approach to calculate the zeroth to third spectral moment sum rules of the retarded electronic Green’s function and self-energy for a system described by the Holstein–Hubbard model allowing for arbitrary spatial and time variation of all parameters (including spatially homogeneous electric fields and parameter quenches). For a translationally invariant (but time-dependent) Hamiltonian, we also provide sum rules in momentum space. The sum rules can be applied to various different phenomena like time-resolved angle-resolved photoemission spectroscopy and benchmarking the accuracy of numerical many-body calculations. This work also corrects some errors found in earlier work on simpler models.

Physics↗

ManiNetCluster: a novel manifold learning approach to reveal the functional links between gene networks

BACKGROUND:The coordination of genomic functions is a critical and complex process across biological systems such as phenotypes or states (e.g., time, disease, organism, environmental perturbation). Understanding how the complexity of genomic function relates to these states remains a challenge. To address this, we have developed a novel computational method, ManiNetCluster, which simultaneously aligns and clusters gene networks (e.g., co-expression) to systematically reveal the links of genomic function between different conditions. Specifically, ManiNetCluster employs manifold learning to uncover and match local and non-linear structures among networks, and identifies cross-network functional links. RESULTS:We demonstrated that ManiNetCluster better aligns the orthologous genes from their developmental expression profiles across model organisms than state-of-the-art methods (p-value <2.2×10-16). This indicates the potential non-linear interactions of evolutionarily conserved genes across species in development. Furthermore, we applied ManiNetCluster to time series transcriptome data measured in the green alga Chlamydomonas reinhardtii to discover the genomic functions linking various metabolic processes between the light and dark periods of a diurnally cycling culture. We identified a number of genes putatively regulating processes across each lighting regime. CONCLUSIONS:ManiNetCluster provides a novel computational tool to uncover the genes linking various functions from different networks, providing new insight on how gene functions coordinate across different conditions. ManiNetCluster is publicly available as an R package at https://github.com/daifengwanglab/ManiNetCluster.

Comparative network analysis↗