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At least 217 records · Page 12

Analytical Model for Atomic Relaxation in Twisted Moiré Materials

By virtue of being atomically thin, the electronic properties of heterostructures built from two-dimensional materials are strongly influenced by atomic relaxation. The atomic layers behave as flexible membranes rather than rigid crystals. Here we develop an analytical theory of lattice relaxation in twisted moiré materials. We obtain analytical results for the lattice displacements and corresponding pseudo gauge fields, as a function of twist angle. We benchmark our results for twisted bilayer graphene and twisted WSe 2 bilayers using large-scale molecular dynamics simulations. Our single-parameter theory is valid in graphene bilayers for twist angles 𝜃 ≳ 0.7°, and in twisted WSe 2 for 𝜃 ≳ 1.6°. Furthermore, we also investigate how relaxation alters the electronic structure in twisted bilayer graphene, providing a simple extension to the continuum model to account for lattice relaxation.

36 MATERIALS SCIENCE↗

Investigating two-dimensional adjoint QCD on the lattice

We present our investigations of SU(N) adjoint QCD in two dimensions with one Majorana fermion on the lattice. We determine the relevant parameter range for the simulations with Wilson fermions and present results for Polyakov loop, chiral condensate, and string tension. In the theory with massive fermions, all observables we checked show qualitative agreement between numerical lattice data and theory, while the massless limit is more subtle since chiral and non-invertible symmetry of the continuum theory are explicitly broken by lattice regularization. In thermal compactification, we observe N perturbative vacua for the holonomy potential at high-T with instanton events connecting them, and a unique vacuum at low-T. At finite-N, this is a cross-over and it turns to a phase transition at large-N thermodynamic limit. In circle compactification with periodic boundary conditions, we observe a unique center-symmetric minimum at any radius. In continuum, the instantons in the thermal case carry zero modes (for even N) and indeed, in the lattice simulations, we observe that chiral condensate is dominated by instanton centers, where zero modes are localized. We present lattice results on the issue of confinement vs. screening in the theory and comment on the roles of chiral symmetry and non-invertible symmetry.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Multi-body entanglement and information rearrangement in nuclear many-body systems: a study of the Lipkin–Meshkov–Glick model

Here, we examine how effective-model-space (EMS) calculations of nuclear many-body systems rearrange and converge multi-particle entanglement. The generalized Lipkin-Meshkov-Glick (LMG) model is used to motivate and provide insight for future developments of entanglement-driven descriptions of nuclei. The effective approach is based on a truncation of the Hilbert space together with a variational rotation of the qubits (spins), which constitute the relevant elementary degrees of freedom. The non-commutivity of the rotation and truncation allows for an exponential improvement of the energy convergence throughout much of the model space. Our analysis examines measures of correlations and entanglement, and quantifies their convergence with increasing cut-off. We focus on one- and two-spin entanglement entropies, mutual information, and $n$-tangles for $n=2,4$ to estimate multi-body entanglement. The effective description strongly suppresses entropies and mutual information of the rotated spins, while being able to recover the exact results to a large extent with low cut-offs. Naive truncations of the bare Hamiltonian, on the other hand, artificially underestimate these measures. The $n$-tangles in the present model provide a basis-independent measures of $n$-particle entanglement. While these are more difficult to capture with the EMS description, the improvement in convergence, compared to truncations of the bare Hamiltonian, is significantly more dramatic. We conclude that the low-energy EMS techniques, that successfully provide predictive capabilities for low-lying observables in many-body systems, exhibit analogous efficacy for quantum correlations and multi-body entanglement in the LMG model, motivating future studies in nuclear many-body systems and effective field theories relevant to high-energy physics and nuclear physics.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Simulating Hydrodynamics in Cosmology with CRK-HACC

Abstract We introduce CRK-HACC, an extension of the Hardware/Hybrid Accelerated Cosmology Code (HACC), to resolve gas hydrodynamics in large-scale structure formation simulations of the universe. The new framework couples the HACC gravitational N -body solver with a modern smoothed-particle hydrodynamics (SPH) approach called conservative reproducing kernel SPH (CRKSPH). CRKSPH utilizes smoothing functions that exactly interpolate linear fields while manifestly preserving conservation laws (momentum, mass, and energy). The CRKSPH method has been incorporated to accurately model baryonic effects in cosmology simulations—an important addition targeting the generation of precise synthetic sky predictions for upcoming observational surveys. CRK-HACC inherits the codesign strategies of the HACC solver and is built to run on modern GPU-accelerated supercomputers. In this work, we summarize the primary solver components and present a number of standard validation tests to demonstrate code accuracy, including idealized hydrodynamic and cosmological setups, as well as self-similarity measurements.

79 ASTRONOMY AND ASTROPHYSICS↗

Black hole one-loop determinants in the large dimension limit

We calculate the contributions to the one-loop determinant for transverse traceless gravitons in an n + 3-dimensional Schwarzschild black hole background in the large dimension limit, due to the SO(n + 2)-type tensor and vector fluctuations, using the quasinormal mode method. Accordingly we find the quasinormal modes for these fluctuations as a function of a fiducial mass parameter Δ. We show that the behavior of the one-loop determinant at large Δ accords with a heat kernel curvature expansion in one lower dimension, lending further evidence towards a membrane picture for black holes in the large dimension limit.

79 ASTRONOMY AND ASTROPHYSICS↗

Dynamics of homogeneous cavitation with pressure feedback

Theoretical studies of homogeneous cavitation have largely been based on the classical nucleation theory. However, existing cavitation models cannot adequately describe its dynamics at nanosecond timescale, which has been called for in other fields. We develop a model coupling nucleation kinetics with cavity growth and pressure feedback as saturation mechanisms. Our numerical studies reveal the exponential dependence of cavitation characteristics such as saturation cavity density and most probable cavity radius on model parameters: Tolman length and initial pressure. This work also sheds light on the possibility of accurately determining Tolman length, whose value has a large spread in the literature.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Predicting Plant-Soil Feedback in the Field: Meta-Analysis Reveals That Competition and Environmental Stress Differentially Influence PSF

Past research on plant-soil feedbacks (PSF), largely undertaken in highly controlled greenhouse conditions, has established that plant species differentially alter abiotic and biotic soil conditions that in turn affect growth of other conspecific and heterospecific individuals in that soil. Yet, whether feedbacks under controlled greenhouse conditions reflect feedbacks in natural environments where plants are exposed to a range of abiotic and biotic pressures is still unresolved. To address how environmental context affects PSF, we conducted a meta-analysis of previously published studies that examined plant growth responses to multiple forms of competition, stress, and disturbance across various PSF methodology. We asked the following questions: (1) Can competition, stress, and disturbance alter the direction and/or strength of PSF? (2) Do particular types of competition, stress, or disturbance affect the direction and/or strength of PSF more than others? and (3) Do methods of conducting PSF research (i.e., greenhouse vs. field experiments and whether the source of soil inoculum conditioning is from the field vs. greenhouse) affect plant growth responses to PSF or competition, stress, and disturbance, or their interactions? We discovered four patterns that may be predictive of what future PSF studies conducted under more realistic conditions might reveal. First, relatively little is known about how PSF responds to environmental stress and disturbance compared to plant-plant competition. Second, specific types of competition enhanced negative effects of soil microbes on plant growth, and specific environmental stressors enhanced positive effects of soil microbes on plant growth. Third, whether PSF experiments are conducted in the field or greenhouse can change plant growth responses. And, fourth, how the soil conditioning phase is conducted can change plant growth responses. With more detail than previously shown, these results confirm that environmental context writ large can change plant growth responses in PSF experiments. These data should aid theory and predictions for conservation and restoration applications by showing the relative importance of competition, stress, and disturbance in PSF studies over time. Lastly, these data demonstrate how variation in experimental methods can alter interpretation and conclusions of PSF studies.

54 ENVIRONMENTAL SCIENCES↗

On a third-order shear deformation theory for laminated composite shells

A higher-order theory based on an assumed displacement field in which the surface displacements are expanded in powers of the thickness coordinate up to the third order is presented. The theory allows parabolic description of the transverse shear stresses, and therefore the shear correction factors of the usual shear deformation theory are not required in the present theory. The theory also accounts for small strains but moderately large displacements (i.e., von Karman strains). A finite-element model based on independent approximations of the displacements and bending moments (i.e., mixed formulation) is developed. The element is used to analyze cross-ply and angle-ply laminated shells for bending.

Liu, C. F.↗

DESI mock challenge: Halo and galaxy catalogues with the bias assignment method

We present a novel approach to the construction of mock galaxy catalogues for large-scale structure analysis based on the distribution of dark matter halos obtained with effective bias models at the field level. We aim to produce mock galaxy catalogues capable of generating accurate covariance matrices for a number of cosmological probes that are expected to be measured in current and forthcoming galaxy redshift surveys (e.g. two- and three-point statistics). The construction of the catalogues shown in this paper is part of a mock-comparison project within the Dark Energy Spectroscopic Instrument (DESI) collaboration. We use the bias assignment method ( BAM ) to model the statistics of halo distribution through a learning algorithm using a few detailed N-body simulations, and approximated gravity solvers based on Lagrangian perturbation theory. We introduce cosmic-web-dependent corrections to modelling redshift-space distortions at the N-body level – both in the halo and galaxy distributions –, as well as a multi-scale approach for accurate assignment of halo properties. Using specific models of halo occupation distributions to populate halos, we generate galaxy mocks with the expected number density and central-satellite fraction of emission-line galaxies, which are a key target of the DESI experiment. BAM generates mock catalogues with per cent accuracy in a number of summary statistics, such as the abundance, the two- and three-point statistics of halo distributions, both in real and redshift space. In particular, the mock galaxy catalogues display ~3%-10% accuracy in the multipoles of the power spectrum up to scales of k ~ 0.4 h -1 Mpc. We show that covariance matrices of two- and three-point statistics obtained with BAM display a similar structure to the reference simulation. BAM offers an efficient way to produce mock halo catalogues with accurate two- and three-point statistics and is able to generate a variety of multi-tracer catalogues with precise covariance matrices of several cosmological probes. We discuss future developments of the algorithm towards mock production in DESI and other galaxy-redshift surveys.

79 ASTRONOMY AND ASTROPHYSICS↗

Merging of transport theory with the time-dependent Hartree-Fock approach: Multinucleon transfer in U + U collisions

Multinucleon transfer mechanism in the collision of 238 U + 238 U system is investigated at E c.m. = 833 MeV in the framework of the quantal diffusion description based on the stochastic mean-field approach. Double cross sections σ (N, Z ) as a function of the neutron and proton numbers, the cross sections σ (Z ) and σ (A) as a function of the atomic numbers and the mass numbers are calculated for production of the primary fragments. The calculation indicates the 238 U + 238 U system may be located at an unstable equilibrium state at the potential energy surface with a slightly negative curvature along the β stability line on the (N, Z ) plane. Here, this behavior may lead to rather large diffusion along the β stability direction.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

A high level Ab initio study of the anionic hydrogen-bonded complexes FH-CN-, FH-NC-, H2O-CN- and H2O-NC-

HF, H2O, CN- and their hydrogen-bonded complexes were studied using state-of-the-art ab initio quantum mechanical methods. A large Gaussian one particle basis set consisting of triple zeta plus double polarization plus diffuse s and p functions (TZ2P + diffuse) was used. The theoretical methods employed include self consistent field, second order Moller-Plesset perturbation theory, singles and doubles configuration interaction theory and the singles and doubles coupled cluster approach. The FH-CN- and FH-NC- and H2O-CN-, H2O-NC- pairs of complexes are found to be essentially isoenergetic. The first pair of complexes are predicted to be bound by approx. 24 kcal/mole and the latter pair bound by approximately 15 kcal/mole. The ab initio binding energies are in good agreement with the experimental values. The two being shorter than the analogous C-N hydrogen bond. The infrared (IR) spectra of the two pairs of complexes are also very similar, though a severe perturbation of the potential energy surface by proton exchange means that the accurate prediction of the band center of the most intense IR mode requires a high level of electronic structure theory as well as a complete treatment of anharmonic effects. The bonding of anionic hydrogen-bonded complexes is discussed and contrasted with that of neutral hydrogen-bonded complexes.

Lee, Timothy J.↗

A high-level ab initio study of the anionic hydrogen-bonded complexes FH-CN(-), FH-NC(-), H2O-CN(-), and H2O-NC(-)

HF, H2O, CN- and their hydrogen-bonded complexes were studied using state-of-the-art ab initio quantum mechanical methods. A large Gaussian one particle basis set consisting of triple zeta plus double polarization plus diffuse s and p functions (TZ2P + diffuse) was used. The theoretical methods employed include self consistent field, second order Moller-Plesset perturbation theory, singles and doubles configuration interaction theory and the singles and doubles coupled cluster approach. The FH-CN- and FH-NC- and H2O-CN-, H2O-NC- pairs of complexes are found to be essentially isoenergetic. The first pair of complexes are predicted to be bound by approx. 24 kcal/mole and the latter pair bound by approximately 15 kcal/mole. The ab initio binding energies are in good agreement with the experimental values. The two being shorter than the analogous C-N hydrogen bond. The infrared (IR) spectra of the two pairs of complexes are also very similar, though a severe perturbation of the potential energy surface by proton exchange means that the accurate prediction of the band center of the most intense IR mode requires a high level of electronic structure theory as well as a complete treatment of anharmonic effects. The bonding of anionic hydrogen-bonded complexes is discussed and contrasted with that of neutral hydrogen-bonded complexes.

Lee, Timothy J.↗

The acoustic gravity wave induced by a point source in the middle atmosphere

Acoustic gravity wave (AGW) results computed for a stationary impulsive point source and a moving point source in the middle atmosphere are presented. For a stationary impulsive point Row's far field formula of the AGW was extended into the near field one, which comprises the Zeroth order Bessel function and its derivative terms. When (t-t sub o) is not large, the contribution of the derivative terms is important. The computed results agree with the experimental ones. For a moving point source with supersonic velocity, AGW is calculated using the moving point theory. Two solar eclipses that occurred in the lower latitude and over the ocean on Feb. 16, 1980, and June 11, 1983, were compared. The results show that the theoretical curve of AGW is fairly consistent with the observed ones.

Zhang, X. J.↗

Influence of Subpixel Scale Cloud Top Structure on Reflectances from Overcast Stratiform Cloud Layers

Recent observational studies have shown that satellite retrievals of cloud optical depth based on plane-parallel model theory suffer from systematic biases that depend on viewing geometry, even when observations are restricted to overcast marine stratus layers, arguably the closest to plane parallel in nature. At moderate to low sun elevations, the plane-parallel model significantly overestimates the reflectance dependence on view angle in the forward-scattering direction but shows a similar dependence in the backscattering direction. Theoretical simulations are performed that show that the likely cause for this discrepancy is because the plane-parallel model assumption does not account for subpixel, scale variations in cloud-top height (i.e., "cloud bumps"). Monte Carlo simulation, comparing ID model radiances to radiances from overcast cloud field with 1) cloud-top height variation, but constant cloud volume extinction; 2) flat tops but horizontal variations in cloud volume extinction; and 3) variations in both cloud top height and cloud extinction are performed over a approximately equal to 4 km x 4 km domain (roughly the size of an individual GAC AVHRR pixel). The comparisons show that when cloud-top height variations are included, departures from 1D theory are remarkably similar (qualitatively) to those obtained observationally. In contrast, when clouds are assumed flat and only cloud extinction is variable, reflectance differences are much smaller and do not show any view-angle dependence. When both cloud-top height and cloud extinction variations are included, however, large increases in cloud extinction variability can enhance reflectance difference. The reason 3D-1D reflectance differences are more sensitive to cloud-top height variations in the forward-scattering direction (at moderate to low, sun elevations) is because photons leaving the cloud field in that direction experience fewer scattering events (low-order scattering) and are restricted to the topmost portions of the cloud. While reflectance deviations from 1D theory are much larger for bumpy clouds than for flat clouds with variable cloud extinction, differences in cloud albedo are comparable for these two cases.

Loeb, N. G.↗

The galaxy velocity field and CDM models

It is generally accepted that some kind of non-baryonic dark matter accounts for most of the mass density of the universe. Considering such a component has become, in the last decade, a key ingredient in current theories of structure formation. In particular, the Cold Dark Matter (CDM) scenario has proven to be quite successful in explaining most of the observed properties of galaxies and of their large-scale distribution. The standard CDM model is characterized by a primordial Zel'dovich spectrum, of random-phase adiabatic perturbations in a universe with density parameter omega sub 0 = 1 and vanishing cosmological constant. This poster paper presents an analysis of observational data on peculiar motion of optical galaxies in comparison to the predictions of CDM models where the assumptions of the standard scenario: omega sub 0 = 1, n = 1, and bias parameter b = 1 are relaxed. In particular, CDM models with 0 less than n less than 1 and 0.4 less than omega sub 0 less than 1 are considered.

Tormen, Giuseppe↗

Symmetric Kondo Lattice States in Doped Strained Twisted Bilayer Graphene

We use the topological heavy fermion (THF) model and its Kondo lattice (KL) formulation to study the possibility of a symmetric Kondo (SK) state in twisted bilayer graphene. Via a large-N approximation, we find a SK state in the KL model at fillings v = 0,±1,±2 where a KL model can be constructed. In the SK state, all symmetries are preserved and the local moments are Kondo screened by the conduction electrons. At the mean-field level of the THF model at v = 0,±1,±2,±3 we also find a similar symmetric state that is adiabatically connected to the symmetric Kondo state. We study the stability of the symmetric state by comparing its energy with the ordered (symmetry-breaking) states found in [H. Hu et al., Phys. Rev. Lett. 131, 026502 (2023)., Z.-D. Song and B. A. Bernevig, Phys. Rev. Lett. 129, 047601 (2022).] and find the ordered states to have lower energy at v = 0,±1,±2. However, moving away from integer fillings by doping the light bands, our mean-field calculations find the energy difference between the ordered state and the symmetric state to be reduced, which suggests the loss of ordering and a tendency toward Kondo screening. In order to include many-body effects beyond the mean-field approximation, we also performed dynamical mean-field theory calculations on the THF model in the nonordered phase. The spin susceptibility follows a Curie behavior at v = 0,±1,±2 down to ~2 K where the onset of screening of the local moment becomes visible. This hints to very low Kondo temperatures at these fillings, in agreement with the outcome of our mean-field calculations. At noninteger filling v = ±0.5,±0.8,±1.2 dynamical mean-field theory shows deviations from a 1/T susceptibility at much higher temperatures, suggesting a more effective screening of local moments with doping. Lastly, we study the effect of a C 3⁢z -rotational-symmetry-breaking strain via mean-field approaches and find that a symmetric phase (that only breaks C 3⁢z symmetry) can be stabilized at sufficiently large strain at v = 0,±1,±2. Our results suggest that a symmetric Kondo phase is strongly suppressed at integer fillings, but could be stabilized either at noninteger fillings or by applying strain.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

A Celestial route to AdS bulk locality

We prove a precise form of AdS bulk locality by deriving analytical two-sided bounds on bulk Wilson coefficients. Our bounds are on the Wilson coefficients themselves, rather than their ratios, as is typically found in the literature. Inspired by the Celestial amplitudes program in flat space, we perform a Celestial transform of the CFT Mellin amplitude of four identical scalars. Using the crossing symmetric dispersion relation (CSDR), we express the resulting amplitude in terms of crossing symmetric conformal partial waves. The partial waves satisy remarkable positivity properties which along with the unitarity of the CFT prove sufficient to derive the bounds. We then employ our methods in the limit of large AdS radius and recover known bounds on flat space Wilson coefficients and new bounds on their large radius corrections. We check that the planar Mellin amplitude of four stress-tensor multiplets in $\mathcal{N}$ = 4 SYM satisfies our bounds. Finally, using null constraints, we derive a form of low-spin dominance in AdS EFTs. We find that the low-spin dominance is strongest in flat space and weakens as we move away from flat space towards higher AdS curvature.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Creating large Fock states and massively squeezed states in optics using systems with nonlinear bound states in the continuum

The quantization of the electromagnetic field leads directly to the existence of quantum mechanical states, called Fock states, with an exact integer number of photons. Despite these fundamental states being long-understood, and despite their many potential applications, generating them is largely an open problem. For example, at optical frequencies, it is challenging to deterministically generate Fock states of order two and beyond. Here, we predict the existence of an effect in nonlinear optics, which enables the deterministic generation of large Fock states at arbitrary frequencies. The effect, which we call an n-photon bound state in the continuum, is one in which a photonic resonance (such as a cavity mode) becomes lossless when a precise number of photons n is inside the resonance. Based on analytical theory and numerical simulations, we show that these bound states enable a remarkable phenomenon in which a coherent state of light, when injected into a system supporting this bound state, can spontaneously evolve into a Fock state of a controllable photon number. This effect is also directly applicable for creating (highly) squeezed states of light, whose photon number fluctuations are (far) below the value expected from classical physics (i.e., shot noise). In conclusion, we suggest several examples of systems to experimentally realize the effects predicted here in nonlinear nanophotonic systems, showing examples of generating both optical Fock states with large n (n > 10), as well as more macroscopic photonic states with very large squeezing, with over 90% less noise (10 dB) than the classical value associated with shot noise.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗