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At least 343 records · Page 19
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

Trimeron-phonon coupling in magnetite

Using density functional theory, we study the lattice dynamical properties of magnetite (Fe 3 O 4 ) in the high-temperature cubic and low-temperature monoclinic phases. The calculated phonon dispersion curves and density of states are compared with the available experimental data obtained by inelastic neutron, inelastic x-ray, and nuclear inelastic scattering. We find a very good agreement between the theoretical and experimental results for the monoclinic Cc structure revealing the strong coupling between the charge-orbital (trimeron) order and specific phonon modes. For the cubic phase, clear discrepancies arise due to fluctuation effects, which are not included in the calculation method. Despite this shortcoming, we argue that the main spectral features can be understood assuming that the strong trimeron-phonon coupling is extended above the Verwey transition, with lattice dynamics influenced by the short-range order instead of the average cubic structure. Our results indicate the validity of trimerons (and trimeron-phonon coupling) to explain the physics of magnetite much beyond their original formulation.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Symmetric Mass Generation with Four SU(2) Doublet Fermions

We study a single exactly massless staggered fermion in the fundamental representation of an SU(2) gauge group. We utilize an nHYP-smeared fermion action supplemented with additional heavy Pauli-Villars fields that serve to decrease lattice artifacts. The phase diagram exhibits a clear two-phase structure with a conformal phase at weak coupling and a novel new phase, the symmetric mass generation (SMG) phase, appearing at strong coupling. The SMG phase is confining with all states gapped and chiral symmetry unbroken. Our finite size scaling analysis provides strong evidence that the phase transition between these two phases is continuous, which would allow for the existence of a continuum SMG phase. Furthermore, the renormalization group flows are consistent with a 𝛽 function that vanishes quadratically at the new fixed point, suggesting that the 𝑁 𝑓 = 4 flavor SU(2) gauge theory lies at the opening of the conformal window.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2022

Microstructure in matrix elements

We investigate the simple model of Pennington, Shenker, Stanford and Yang for modeling the density matrix of Hawking radiation, but further include dynamics for EOW branes behind the horizon. This allows interactions that scatter one interior state to another, and also allows EOW loops. At strong coupling, we find that EOW states are no longer random; the ensemble has collapsed, and coupling constants encode the microscopic matrix elements of Hawking radiation. This suggests strong interior dynamics are important for understanding evaporating black holes, without any ensemble average. In this concrete model the density matrix of the radiation deviates from the thermal state, small off-diagonal fluctuations encode equivalences between naively orthogonal states, and bound the entropy from above. For almost evaporated black holes the off-diagonal terms become as large as the diagonal ones, eventually giving a pure state. We also find the unique analytic formula for all Renyi entropies.

2D gravity↗
DOE OSTI2026

Transformer-based operator learning framework for self-energy in strongly correlated systems

We introduce Σ-Attention, a transformer-based operator-learning framework for approximating the self-energy operator of strongly correlated electronic systems. By creating a batched dataset that combines results from three complementary approaches, i.e., many-body perturbation theory, strong-coupling expansion, and exact diagonalization, each effective in specific parameter regimes, Σ-Attention is applied to learn an accurate approximation for the self-energy operator that is valid across a wide range of parameter regimes. This hybrid strategy leverages the strengths of existing methods while relying on the transformer's ability to generalize beyond individual limitations. More importantly, the scalability of the transformer architecture allows the learned self-energy to be extended to systems with larger sizes, leading to much improved computational scaling. Using the one-dimensional Hubbard model, we demonstrate that Σ-Attention can accurately predict the Matsubara Green's function of large systems with a wide range of coupling strength. Our framework offers a promising and scalable pathway for studying strongly correlated systems with many possible generalizations.

Zhu, Yuanran↗
DOE OSTI2022

Sphaleron transition rates and the chiral magnetic effect

The chiral magnetic effect is a novel quantum phenomenon proposed for high-energy nuclear collisions but which has yet to be observed. We quantify the axial charge relaxation time, due to sphalerons, which enters in simulations of this effect. An extrapolation of weak coupling calculations of the sphaleron rate yields rather different relaxation times than strong coupling AdS/CFT calculations. The AdS/CFT relaxation time is the larger one of the two by an order of magnitude, but the weak coupling relaxation time may not be reliable because it is only marginally bigger than the microscopic thermalization time. The role of quark masses has yet to be accurately assessed.

Physics↗
DOE OSTI2023

The Effect of Monomer Size on Fusion and Coupling in Colloidal Quantum Dot Molecules

The fusion step in the formation of colloidal quantum dot molecules, constructed from two core/shell quantum dots, dictates the coupling strength and hence their properties and enriched functionalities compared to monomers. Herein, studying the monomer size effect on fusion and coupling, we observe a linear relation of the fusion temperature with the inverse nanocrystal radius. This trend, similar to that in nanocrystal melting, emphasizes the role of the surface energy. The suggested fusion mechanism involves intraparticle ripening where atoms diffuse to the reactive connecting neck region. Moreover, the effect of monomer size and neck filling on the degree of electronic coupling is studied by combined atomistic-pseudopotential calculations and optical measurements, uncovering strong coupling effects in small QD dimers, leading to significant optical changes. Understanding and controlling the fusion and hence coupling effect allows tailoring the optical properties of these nanoscale structures, with potential applications in photonic and quantum technologies.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

Cold-atom quantum simulator for string and hadron dynamics in non-Abelian lattice gauge theory

We propose an analog quantum simulator for simulating real-time dynamics of (1+1)-dimensional non-Abelian gauge theory well within the existing capacity of ultracold-atom experiments. The scheme calls for the realization of a two-state ultracold fermionic system in a one-dimensional bipartite lattice, and the observation of subsequent tunneling dynamics. Being based on the loop string hadron formalism of SU(2) lattice gauge theory, this simulation technique is completely SU(2) invariant and simulates accurate dynamics of physical phenomena such as string breaking and/or pair production. The scheme is scalable and particularly effective in simulating the theory in the weak-coupling regime, and also a bulk limit of the theory in the strong-coupling regime up to certain approximations. This paper also presents a numerical benchmark comparison of the exact spectrum and real-time dynamics of lattice gauge theory to that of the atomic Hamiltonian with an experimentally realizable range of parameters.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2021

Ultrafast laser-driven many-body dynamics and Kondo coherence collapse

Ultrafast laser pulse has provided a systematic way to inspect the dynamics of electrons in condensed matter systems. In this paper, by means of time-dependent density matrix renormalization group, we study an ultrafast laser-driven Kondo lattice model, in which conduction electrons are strongly coupled with magnetically local moments. The single-particle spectral function due to strong correlation effects and photon emission in the nonequilibrium states under laser driving are calculated. We find laser field excited collective doublon-hole pairs and an associated transient melting of Kondo coherence phase, signifying the collapse of Kondo energy gap. Moreover, we show that the photon emission, induced by a strong laser field, exhibits a different intensity characteristics than in the equilibrium Kondo insulator, which could be explained by the Kondo collapse and related suppression of both intraband and interband contribution in Kondo melting liquid. This theoretical insight is accessible with time- and angle-resolved photoemission spectroscopy and high-harmonic generation spectroscopy and will stimulate the investigation of nonequilibrium dynamics and nonlinear phenomenon in heavy fermion systems.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Dual-stage structural response to quenching charge order in magnetite

The Verwey transition in magnetite (Fe 3 O 4 ) is the prototypical metal-insulator transition and has eluded a comprehensive explanation for decades. A major element of the challenge is the complex interplay between charge order and lattice distortions. Here we use ultrafast electron diffraction (UED) to disentangle the roles of charge order and lattice distortions by tracking the transient structural evolution after charge order is melted via ultrafast photoexcitation. A dual-stage response is observed in which X 3 , X 1 and Δ 5 type structural distortions occur on markedly different timescales of 0.7-3.2 ps and longer than 3.2 ps. We propose that these distinct timescales arise because X 3 -type distortions strongly couple to the trimeron charge order whereas the Δ 5 -distortions are more strongly associated with monoclinic to cubic distortions of the overall lattice. Our work aids in clarifying the charge-lattice interplay using UED method and illustrates the disentanglement of the complex phases in magnetite.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
NASA NTRS1986

Unsteady separation characteristics of airfoils operating under dynamic stall conditions

Unsteady viscous/inviscid interaction phenomena are investigated for airfoils operating under dynamic stall conditions, using coupling procedures between a time-dependent inviscid panel method and two-dimensional unsteady boundary layer codes. Two strategies are pursued: a coupling of the inviscid panel method with the boundary layer code, and a strong coupling of the inviscid panel method with the boundary layer code. Attention is given to the main features of the unsteady time-marching panel method and boundary layer codes, as well as to numerical stability and the phenomenon of unsteady separation.

Geissler, Wolfgang↗
DOE OSTI2020

Near-field probing of strong light-matter coupling in single IR antennae

Quantum well intersubband polaritons are traditionally studied in large scale ensembles, over many wavelengths in size.In this presentation, we demonstrate that it is possible to detect and investigate intersubband polaritons in a single sub-wavelength nanoantenna in the IR frequency range. We observe polariton formation using a scattering-type near-fieldmicroscope and nano-FTIR spectroscopy. In this work, we will discuss near-field spectroscopic signatures of plasmonic antennae withand without coupling to the intersubband transition in quantum wells located underneath the antenna. Evanescent fieldamplitude spectra recorded on the antenna surface show a mode anti-crossing behavior in the strong coupling case. Wealso observe a corresponding strong-coupling signature in the phase of the detected field. We anticipate that this near-fieldapproach will enable explorations of strong and ultrastrong light-matter coupling in the single nanoantenna regime,including investigations of the elusive effect of ISB polariton condensation.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Nonperturbative dynamics of (2+1)d φ 4 -theory from Hamiltonian truncation

We use Lightcone Conformal Truncation (LCT) - a version of Hamiltonian truncation - to study the nonperturbative, real-time dynamics of φ 4 -theory in 2+1 dimensions. This theory has UV divergences that need to be regulated. We review how, in a Hamiltonian framework with a total energy cutoff, renormalization is necessarily state-dependent, and UV sensitivity cannot be canceled with standard local operator counter-terms. To overcome this problem, we present a prescription for constructing the appropriate state-dependent counterterms for (2+1)d φ 4 -theory in lightcone quantization. We then use LCT with this counterterm prescription to study φ 4 -theory, focusing on the $\mathbb{Z}$ 2 symmetry-preserving phase. Specifically, we compute the spectrum as a function of the coupling and demonstrate the closing of the mass gap at a (scheme-dependent) critical coupling. We also compute Lorentz-invariant two-point functions, both at generic strong coupling and near the critical point, where we demonstrate IR universality and the vanishing of the trace of the stress tensor.

field theories in lower dimensions↗
DOE OSTI2023

Uncertain role of clouds in shaping summertime atmosphere-sea ice connections in reanalyses and CMIP6 models

Downwelling longwave radiation (DLR) driven by the atmospheric and cloud conditions in the troposphere is suggested to be a dominant factor to determine the summertime net surface energy budget over the Arctic Ocean and thus plays a key role to shape the September sea ice. We use reanalyses and the self-organizing map (SOM) method to distinguish CMIP6 model performance in replicating the observed strong atmosphere-DLR connection. We find all models can reasonably simulate the linkage between key atmosphere variables and the clear sky DLR but behave differently in replicating the atmosphere-DLR connection due to cloud forcing. In ERA5 and strongly coupled models, tropospheric high pressure is associated with decreased clouds in the mid- and high-levels and increased clouds near the surface. This out-of-phase structure indicates that DLR cloud forcing is nearly neutral, making the clear sky DLR more important to bridge JJA circulation to late-summer sea ice. In MERRA-2 and weakly coupled models, tropospheric clouds display a vertically homogeneous reduction; the cloud DLR is thus strongly reduced due to the cooling effect, which partially cancels out the clear sky DLR and makes the total DLR less efficient to translate circulation forcing to sea ice. The differences of cloud vertical distribution in CMIP6 appear to be differentiated by circulation related relative humidity. Therefore, a better understanding of the discrepancy of different reanalyses and remote sensing products is critical to comprehensively evaluate simulated interactions among circulation, clouds, sea ice and energy budget at the surface in summer.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2024

Mass gaps of a Z 3 gauge theory with three fermion flavors in 1 + 1 dimensions

We consider a Z 3 gauge theory coupled to three degenerate massive flavors of fermions, which we term Quantum Z(3) Dynamics, QZD. The spectrum can be computed in 1 + 1 dimensions using tensor networks. In weak coupling the spectrum is that of the expected mesons and baryons, although the corrections in weak coupling are nontrivial, analogous to those of nonrelativistic QED in 1 + 1 dimensions. In strong coupling, besides the usual baryon, the singlet meson is a baryon-antibaryon state. For two special values of the coupling constant, the lightest baryon is degenerate with the lightest octet meson, and the lightest singlet meson, respectively. Published by the American Physical Society 2024

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2021

Excitation dynamics in inductively coupled fluxonium circuits

We propose a near-term quantum simulator based on the fluxonium qubits inductively coupled to form a chain. This system provides long coherence time, large anharmonicity, and strong coupling, making it suitable to study Ising spin models. At the half-flux quantum sweet spot, the system is described by the transverse field Ising model (TFIM). We evaluate the propagation of qubit excitations through the system. As disorder increases, the excitations become localized. A single qubit measurement using the circuit QED methods is sufficient to identify localization transition without introducing tunable couplers. We argue that inductively coupled fluxoniums provide opportunities to study localization and many-body effects in highly coherent quantum systems.

Barış Özgüler, A.↗
NASA NTRS2004

Rain Reevaporation, Boundary Layer Convection Interactions, and Pacific Rainfall Patterns in an AGCM

Sensitivity experiments with an atmospheric general circulation model (AGCM) show that parameterized rain re-evaporation has a large impact on simulated precipitation patterns in the tropical Pacific, especially on the configuration of the model s intertropical convergence zone (ITCZ). Weak re-evaporation leads t o the formation of a "double ITCZ" during the northern warm season. The double ITCZ is accompanied by strong coupling between precipitation and high-frequency vertical motion in the planetary boundary layer (PBL). Strong reevaporation leads to a better overall agreement of simulated precipitation with observations. The model s double ITCZ bias is reduced. At the same time, correlation between high-frequency vertical motion in the PBL and precipitation is reduced. Experiments with modified physics suggest that evaporative cooling by rain near the PBL top weakens the coupling between precipitation and vertical motion. This may reduce the model s tendency to form double ITCZs. The strength of high-frequency vertical motions in the PBL was also reduced directly through the introduction of a diffusive cumulus momentum transport (DCMT) parameterization. The DCMT had a visible impact on simulated precipitation in the tropics, but did not reduce the model s double bias in all cases.

Bacmeister, Julio T.↗
DOE OSTI2023

Accessing the strong interaction between Λ baryons and charged kaons with the femtoscopy technique at the LHC

The interaction between baryons and kaons/antikaons is a crucial ingredient for the strangeness $S$ = 0 and $S$ = -2 sector of the meson–baryon interaction at low energies. In particular, the $Λ\overline{K}$ might help in understanding the origin of states such as the $Ξ$(1620), whose nature and properties are still under debate. Experimental data on $Λ–K$ and $Λ–\overline{K}$ systems are scarce, leading to large uncertainties and tension between the available theoretical predictions constrained by such data. In this Letter we present the measurements of $Λ–K$ + ⊕ $\overline{Λ}–K$ - and $Λ–K$ - ⊕ $\overline{Λ}–K$ + correlations obtained in the high multiplicity triggered data sample in pp collisions at $\sqrt{s}$ = 13 TeV recorded by ALICE at the LHC. The correlation function for both pairs is modeled using the Lednický–Lyuboshits analytical formula and the corresponding scattering parameters are extracted. The $Λ–K$ - ⊕ $\overline{Λ}–K$ + correlations show the presence of several structures at relative momenta k above 200 MeV/c, compatible with the $Ω$ baryon, the $Ξ$(1690), and $Ξ$(1820) resonances decaying into $Λ–K$ - pairs. The low $k^*$ region in the $Λ–K$ - ⊕ $\overline{Λ}–K$ + also exhibits the presence of the $Ξ$(1620) state, expected to strongly couple to the measured pair. The presented data allow to access the $ΛK$ + and $ΛK$ - strong interaction with an unprecedented precision and deliver the first experimental observation of the $Ξ$(1620) decaying into $ΛK$ - .

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2022

Unified Approach to Polarons and Phonon-Induced Band Structure Renormalization

Ab initio calculations of the phonon-induced band structure renormalization are currently based on the perturbative Allen-Heine theory and its many-body generalizations. These approaches are unsuitable to describe materials where electrons form localized polarons. Here, we develop a self-consistent, many-body Green’s function theory of band structure renormalization that incorporates localization and self-trapping. Here, we show that the present approach reduces to the Allen-Heine theory in the weak-coupling limit, and to total energy calculations of self-trapped polarons in the strong-coupling limit. To demonstrate this methodology, we reproduce the path-integral results of Feynman and diagrammatic Monte Carlo calculations for the Fröhlich model at all couplings, and we calculate the zero point renormalization of the band gap of an ionic insulator including polaronic effects.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗