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Results for “STRONG COUPLING”

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 55 records · Page 3
All sourcesNASA NTRSDOE OSTI
DOE OSTI2016

Proton-Coupled Electron Transfer in a Strongly Coupled Photosystem II-Inspired Chromophore–Imidazole–Phenol Complex: Stepwise Oxidation and Concerted Reduction

Proton-coupled electron-transfer (PCET) reactions were studied in acetonitrile for a Photosystem II (PSII) inspired [Ru(bpy) 2 (phen-imidazole-Ph(OH)( t Bu) 2 )] 2+ , in which Ru(III) generated by a flash-quench sequence oxidizes the appended phenol and the proton is transferred to the hydrogen bonded imidazole base. In contrast to related systems, the donor and acceptor are strongly coupled, as indicated by the shift in the Ru III/II couple upon phenol oxidation, and intramolecular oxidation of the phenol by Ru(III) is energetically favorable by both stepwise or concerted pathways. The phenol oxidation occurs via a stepwise ET-PT mechanism with k ET = 2.7 × 10 7 s ₋1 and a kinetic isotope effect (KIE) of 0.99 ± 0.03. The electron transfer reaction was characterized as adiabatic with λ DA = 1.16 eV and 280 < H DA < 540 cm ₋1 consistent with strong electronic coupling and slow solvent dynamics. Reduction of the phenoxyl radical by the quencher radical was examined as the analogue of the redox reaction between the PSII tyrosyl radical and the oxygen evolving complex (OEC). In our PSII-inspired complex, the recombination reaction activation energy is < 2 kcal mol ₋1 . In conclusion, the reaction is nonadiabatic (V PCET ~ 22 cm ₋1 (H) and 49 cm ₋1 (D)), concerted, and exhibits an unexpected inverse KIE of 0.55 that is attributed to greater overlap of the reactant vibronic ground state with the OD vibronic states of the proton acceptor due to the smaller quantum spacing of the deuterium vibrational levels.

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

Polariton Dynamics in Two-Dimensional Ruddlesden–Popper Perovskites Strongly Coupled with Plasmonic Lattices

Strong coupling between light and matter can produce hybrid eigenstates known as exciton-polaritons. Although polariton dynamics are important photophysical properties, the relaxation pathways of polaritons in different coupling regimes have seen limited attention. This paper reports the dynamics of hybridized states from 2D Ruddlesden-Popper perovskites coupled to plasmonic nanoparticle lattices. The open cavity architecture of Al lattices enables the coupling strength to be modulated by varying either the lead halide perovskite film thickness or the superstrate refractive index. Both experiments and finite-difference time-domain simulations of the optical dispersion diagrams showed avoided crossings that are a signature of strong coupling. Furthermore, our analytical model also elucidated the correlation between the exciton/plasmon mixing ratio and polariton coupling strength. Using fs-transient absorption spectroscopy, we found that both the upper and lower polaritons have shorter lifetimes than the excitons and that polaritons can show faster excited state dynamics when they have access to additional energy transfer channels.

2D perovskite↗
DOE OSTI2010

Effects of polarization force and effective dust temperature on dust-acoustic solitary and shock waves in a strongly coupled dusty plasma

A strongly coupled dusty plasma containing strongly correlated negatively charged dust grains and weakly correlated (Maxwellian) electrons and ions has been considered. The effects of polarization force (which arises due to the interaction between thermal ions and highly negatively charged dust grains) and effective dust temperature (which arises from the electrostatic interactions among highly negatively charged dust and from the dust thermal pressure) on the dust-acoustic (DA) solitary and shock waves propagating in such a strongly coupled dusty plasma are taken into account. The DA solitary and shock waves are found to exist with negative potential only. It has been shown that the strong correlation among the charged dust grains is a source of dissipation and is responsible for the formation of the DA shock waves. It has also been shown that the effects of polarization force and effective dust-temperature significantly modify the basic features (e.g., amplitude, width, and speed) of the DA solitary and shock waves. It has been suggested that a laboratory experiment be performed to test the theory presented in this work.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2021

Strongly coupled $\mathrm{QFT}$ dynamics via $\mathrm{TQFT}$ coupling

We consider a class of quantum field theories and quantum mechanics, which we couple to $\mathbb{Z}$ N topological QFTs, in order to classify non-perturbative effects in the original theory. The $\mathbb{Z}$ N TQFT structure arises naturally from turning on a classical background field for a $\mathbb{Z}$ N 0- or 1-form global symmetry. In SU(N) Yang-Mills theory coupled to $\mathbb{Z}$ N TQFT, the non-perturbative expansion parameter is exp[-S I /N] = exp[-8π 2 /g 2 N] both in the semi-classical weak coupling domain and strong coupling domain, corresponding to a fractional topological charge configurations. To classify the non-perturbative effects in original SU(N) theory, we must use PSU(N) bundle and lift configurations (critical points at infinity) for which there is no obstruction back to SU(N). These provide a refinement of instanton sums: integer topological charge, but crucially fractional action configurations contribute, providing a TQFT protected generalization of resurgent semi-classical expansion to strong coupling. Monopole-instantons (or fractional instantons) on T 3 x $S^1_L$ can be interpreted as tunneling events in the ’t Hooft flux background in the PSU(N) bundle. The construction provides a new perspective to the strong coupling regime of QFTs and resolves a number of old standing issues, especially, fixes the conflicts between the large-N and instanton analysis. We derive the mass gap at θ = 0 and gaplessness at θ = π in $\mathbb{CP}$ 1 model, and mass gap for arbitrary θ in $\mathbb{CP}$ N-1 , N ≥ 3 on $\mathbb{R}$ 2 .

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2019

Correlations far from equilibrium in charged strongly coupled fluids subjected to a strong magnetic field

Within a holographic model, we calculate the time evolution of 2-point and 1-point correlation functions (of selected operators) within a charged strongly coupled system of many particles. That system is thermalizing from an anisotropic initial charged state far from equilibrium towards equilibrium while subjected to a constant external magnetic field. One main result is that thermalization times for 2-point functions are significantly (approximately three times) larger than those of 1-point functions. Magnetic field and charge amplify this difference, generally increasing thermalization times. However, there is also a competition of scales between charge density, magnetic field, and initial anisotropy, which leads to an array of qualitative changes on the 2- and 1-point functions. There appears to be a strong effect of the medium on 2-point functions at early times, but approximately none at later times. At strong magnetic fields, an apparently universal thermalization time emerges, at which all 2-point functions appear to thermalize regardless of any other scale in the system. Hence, this time scale is referred to as saturation time scale. As extremality is approached in the purely charged case, 2- and 1-point functions appear to equilibrate at infinitely late time. We also compute 2-point functions of charged operators. Our results can be taken to model thermalization in heavy ion collisions, or thermalization in selected condensed matter systems.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2011

Efficiency for preforming molecules from mixtures of light Fermi and heavy Bose atoms in optical lattices: The strong-coupling-expansion method

We discuss the application of a strong-coupling expansion (perturbation theory in the hopping) for studying light-Fermi-heavy-Bose (like {sup 40}K-{sup 87}Rb) mixtures in optical lattices. We use the strong-coupling method to evaluate the efficiency for preforming molecules, the entropy per particle, and the thermal fluctuations. We show that within the strong interaction regime (and at high temperature), the strong-coupling expansion is an economical way to study this problem. In some cases, it remains valid even down to low temperatures. Because the computational effort is minimal, the strong-coupling approach allows us to work with much larger system sizes, where boundary effects can be eliminated, which is particularly important at higher temperatures. Since the strong-coupling approach is so efficient and accurate, it allows one to rapidly scan through parameter space in order to optimize the preforming of molecules on a lattice (by choosing the lattice depth and interspecies attraction). Based on the strong-coupling calculations, we test the thermometry scheme based on the fluctuation-dissipation theorem and find the scheme gives accurate temperature estimation even at very low temperature. We believe this approach and the calculation results will be useful in the design of the next generation of experiments and will hopefully lead to the ability to form dipolar matter in the quantum degenerate regime.

74 ATOMIC AND MOLECULAR PHYSICS↗
NASA NTRS1978

Navier-Stokes calculations with a coupled strongly implicit method. Part 2: Spline solutions

A coupled strongly implicit method is combined with a deferred-corrector spline solver for the vorticity-stream function form of the Navier-Stokes equation. Solutions for cavity, channel and cylinder flows are obtained with the fourth-order spline 4 procedure. The strongly coupled spline corrector method converges as rapidly as the finite difference calculations and also allows for arbitrary large time increments for the Reynolds numbers considered. In some cases fourth-order smoothing or filtering is required in order to suppress high frequency oscillations.

Rubin, S. G.↗