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DOE OSTI2025

Ultrafast Dynamics of Plasmon-Coupled Excitons in Semiconducting Nanoplatelets

Exciton-plasmon coupling in nanomaterials produces many relevant phenomena for photonics applications including increased light-matter interactions, enhanced radiative rates of quantum emitters, and coherent energy exchange. In the case of exciton coupling to surface plasmon polaritons (SPPs), dispersive interactions controlled by the wavevector of optical excitation create the opportunity for tunable optical emission. Strong temporal impacts on exciton lifetimes can also occur in coupled systems, creating the opportunity for ultrafast control of exciton lifetime via changes in electronic coupling magnitude to a dispersive SPP. The coupling strength can be impacted by the morphology of the nanomaterials. Here, in this study, we utilize colloidal semiconductor nanoplatelets deposited onto thin silver plasmonic films, and compare the results to semiconductor quantum dots deposited on the silver films. We map the dispersion of the coupled systems and measure the ultrafast transient absorption response of the coupled systems. Due to the larger interaction areas of the nanoplatelets that lie flat on the silver films, a greater degree of coupling is found for the nanoplatelets, and much faster temporal responses are found as compared to quantum dots. Fresnel theory calculations that incorporate heavy and light hole features can reproduce the dispersion of the nanoplatelet-silver film, and a simple three-state model is developed to provide insights into the nature of the coupling at different photon energies along the dispersion curve.

colloidal semiconductor nanoplatelets↗

DOE OSTI2023

Engineering giant excitonic coupling in bioinspired, covalently bridged BODIPY dyads

Strong excitonic coupling in photosynthetic systems is believed to enable efficient light absorption and quantitative charge separation, motivating the development of artificial multi-chromophore arrays with equally strong or even stronger excitonic coupling. However, large excitonic coupling strengths have typically been accompanied by fast non-radiative recombination, limiting the potential of the arrays for solar energy conversion as well as other applications such as fluorescent labeling. Here, in this work, we report giant excitonic coupling leading to broad optical absorption in bioinspired BODIPY dyads that have high photostability, excited-state lifetimes at the nanosecond scale, and fluorescence quantum yields of nearly 50%. Through the synthesis, spectroscopic characterization, and computational modeling of a series of dyads with different linking moieties, we show that the strongest coupling is obtained with diethynylmaleimide linkers, for which the coupling occurs through space between BODIPY units with small separations and slipped co-facial orientations. Other linkers allow for broad tuning of both the relative through-bond and through-space coupling contributions and the overall strength of interpigment coupling, with a tradeoff observed in general between the strength of the two coupling mechanisms. These findings open the door to the synthesis of molecular systems that function effectively as light-harvesting antennas and as electron donors or acceptors for solar energy conversion.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2021

Impact of particle loading and phase coupling on gas–solid flow dynamics: A case study of a two-phase, gas–solid flow in an annular pipe

The present study is devoted to a two-phase, gas–solid flow in an annular pipe (hollow cylinder) at an elevated pressure of 15 bars and moderate Reynolds number of circa 6000. The influence of the particle loading, the interaction between the phases, and turbulence dispersion on the flow dynamics is systematically studied by means of computational fluid dynamics simulations, employing the Ansys FLUENT commercial package. The cases with a particle volumetric fraction of 1.2% are referred to as “high particle loading,” and those with 0.13% are denoted as “low particle loading.” The following cases are investigated: (1) pure gas flow; (2) low particle loading two-phase flow with one-way coupling and with turbulence dispersion; (3) low particle loading two-phase flow with two-way coupling but without turbulence dispersion; (4) low particle loading two-phase flow with two-way coupling and with turbulence dispersion; (5) high particle loading two-phase flow with one-way coupling and with turbulence dispersion; (6) high particle loading two-phase flow with two-way coupling but without turbulence dispersion; and (7) high particle loading two-phase flow with two-way coupling and with turbulence dispersion. Additionally, the boundary layer is found to grow without fluctuations of the turbulent kinetic energy (TKE) for cases 1, 2, and 5. For case 4, the TKE fluctuations have been identified, although they appear to be less substantial than those in cases 6 and 7. The authors attribute the semi-chaotic nature of the TKE fluctuations to the particle loading and two-way coupling. In addition, the onset and development of the flow instability have been observed at a random axial distance in cases 4, 6, and 7. Such instability is also attributed to the two-way coupling with turbulence dispersion in the flow. It is concluded that the particle loading, one-way, or two-way coupling between the phases, and the turbulence dispersion models significantly influence the development of the flow dynamics with the same inlet and boundary conditions. Consequently, it is not a trivial question, which result a user should trust. The present computational results inspire to perform verification as well as experimental validation of the simulations, so the simulation results can subsequently be used with confidence for design analysis.

42 ENGINEERING↗

DOE OSTI2026

Selective electron-phonon coupling strength from nonequilibrium optical spectroscopy: The case of MgB 2

The coupling between quasiparticles and bosonic excitations rules the energy transfer pathways in condensed matter systems. The possibility of inferring the strength of specific coupling channels from their characteristic timescales measured in nonequilibrium experiments is still an open question. Here, in this study, we investigate MgB 2 , in which conventional superconductivity at temperatures as high as 39 K is mediated by the strong coupling between the conduction electrons and the 𝐸 2⁢𝑔 phonon mode. By means of broadband time-resolved optical spectroscopy, we show that this selective electron-phonon coupling dictates the nonequilibrium optical response of MgB 2 at early times (<100 fs) after photoexcitation. Furthermore, based on an effective temperature model analysis, we estimate its contribution to the total electron-boson coupling function extracted from complementary equilibrium spectroscopy approaches, namely, optical reflectivity and angle-resolved photoemission spectroscopy. The coupling strength with the 𝐸 2⁢𝑔 phonon modes is thus estimated to be 𝜆 ≃ 0.56, which is approximately half of the total coupling constant, in agreement with 𝑎𝑏 initio calculations from the literature. As a benchmark, broadband time-resolved optical spectroscopy is performed also on the isostructural and nonsuperconducting compound AlB 2 , showing that the nonequilibrium optical response relaxes on a slower timescale due to the lack of strongly coupled phonon modes. Our findings demonstrate the possibility to resolve and quantify selective electron-phonon coupling from nonequilibrium optical spectroscopy.

Mor, Selene [Università Cattolica del Sacro Cuore,↗

NASA NTRS1989

Integrated approach for active coupling of structures and fluids

Strong coupling of structure and fluids is common in many engineering environments, particularly when the flow is nonlinear and very sensitive to structural motions. Such coupling can give rise to physically important phenomena, such as a dip in the transonic flutter boundary of a wing. The coupled phenomenon can be analyzed in closed form for simple cases that are defined by linear structural and fluid equations of motion. However, complex cases defined by nonlinear equations pose a more difficult task for solution. It is important to understand these nonlinear coupled problems, since they may lead to physically important new phenomena. Flow discontinuities, such as a shock wave, and structural discontinuities, such as a hinge line of a control surface of a wing, can magnify the coupled effects and give rise to new phenomena. To study such a strongly coupled phenomenon, an integrated approach is presented in this paper. The aerodynamic and structural equations of motion are simultaneously integrated by a time-accurate numerical scheme. The theoretical simulation is done using the time-accurate unsteady transonic aerodynamic equations coupled with modal structural equations of motion. As an example, the coupled effect of shock waves and hinge-line discontinuities are studied for aeroelastically flexible wings with active control surfaces. The simulation in this study is modeled in the time domain and can be extended to simulate accurately other systems where fluids and structures are strongly coupled.

Guruswamy, Guru P.↗

NASA NTRS1990

Quick connect coupling

A coupling device has a transversely arranged, open-end groove in a flange attached to a pipe end. The groove in the flange receives a circumferentially arranged locking flange element on the other coupling member and permits alignment of the bores of the coupling members when the locking flange element is in the open end groove. Upon alignment of the bores of the coupling members, a trigger member is activated to automatically release a spring biased tubular member in one of the coupling members. The tubular member has a conical end which is displaced into the other coupling member to lock the coupling members to one another. A tensioning nut is threadedly movable on a coupling member so as to be moved into tightening engagement with the other coupling member.

Sprague, Benny B.↗

NASA NTRS1997

Coupling Dynamics in Aircraft: A Historical Perspective

Coupling dynamics can produce either adverse or beneficial stability and controllability, depending on the characteristics of the aircraft. This report presents archival anecdotes and analyses of coupling problems experienced by the X-series, Century series, and Space Shuttle aircraft. The three catastrophic sequential coupling modes of the X-2 airplane and the two simultaneous unstable modes of the X-15 and Space Shuttle aircraft are discussed. In addition, the most complex of the coupling interactions, inertia roll coupling, is discussed for the X-2, X-3, F-100A, and YF-102 aircraft. The mechanics of gyroscopics, centrifugal effect, and resonance in coupling dynamics are described. The coupling modes discussed are interacting multiple degrees of freedom of inertial and aerodynamic forces and moments. The aircraft are assumed to be rigid bodies. Structural couplings are not addressed. Various solutions for coupling instabilities are discussed.

Day, Richard E.↗

NASA NTRS1958

Analytical and Experimental Determination of the Coupled Natural Frequencies and Mode Shapes of a Dynamic Model of a Single-Rotor Helicopter

A combined analytical and experimental determination is made of the coupled natural frequencies and mode shapes in the longitudinal plane of symmetry for a dynamic model of a single-rotor helicopter. The analytical phase is worked out on the basis of a seven-degree-of-freedom system combining elastic deflections of the rotor blades, rotor shaft, pylon, and fuselage. The calculated coupled frequencies are first compared with calculated uncoupled frequencies to show the general effects of coupling and then with measured coupled frequencies to determine the extent to which the coupled frequencies can be calculated. The coupled mode shapes are also calculated and were observed visually with stroboscopic lights during the tests. A comparison of the coupled and uncoupled natural frequencies shows that significant differences exist between these frequencies for some of the modes. Good agreement is obtained between the measured and calculated values for the coupled natural frequencies and mode shapes. The results show that the coupled natural frequencies and mode shapes can be determined by the analytical procedure presented herein with sufficient accuracy if the mass and stiffness distributions of the various components of the helicopter are known.

Silveira, Milton A.↗

NASA NTRS1998

A Fresh Look at Coupled-Oscillator Spatial Power Combining

Quasi-optical oscillators were proposed a little more than ten years ago as a means of developing the power levels needed for applications at millimeter frequencies using large numbers of individual semiconductor devices each of which produces only a modest amount of power [J.W. Mink, IEEE Trans. MTT., vol. 34, p. 273, 19861. An operating system was demonstrated soon after [Z.B. Popovic et. al, Int. J. Infrared and Millimeter Waves, v. 9, p. 647, 1988] in the form of a so-called grid oscillator. This device constituted a rectangular array of oscillating devices that are mutually coupled so that they oscillator coherently. The interconnecting lines in one direction serve as radiators so that the oscillators radiate directly, and the radiated fields add. Subsequently, coupled oscillators using resonant transmission line lengths was demonstrated by Mortazawi and Itoh [IEEE Trans. MTT., vol. 38, p. 86,1990). In recent work, coupled-oscillator power combiners have received less attention, with amplifier/combiners receiving more attention. Specific weaknesses of spatial-combining oscillators have motivated this transition. Namely, the oscillators employ low-Q resonators (resulting in low signal quality) and no clear means of modulation has been identified until recently. In this presentation, we review coupled-oscillator combiners in broad terms, indicating the features that make particular systems viable. We indicate how these features can be reconciled to functional requirements for system applications. Comparisons are drawn between two approaches to obtain mutual coupling: One employs low-Q oscillator circuits at each site, with concomitantly high propensity for the oscillators to couple. The other approach employs moderate-Q oscillators at each site with the concomitant requirement to tune the oscillators so that they share a range of frequencies over which they can couple and lock. In either case, precise frequency control and modulation can be achieved through locking to an external frequency source that ensures high quality signals. A recent development in coupled-oscillator arrays provides a means for beam-steering the radiation field of coupled oscillators through de-tuning of the edge elements in the array. This detuning introduces a progressive phase shift across the oscillator array. This 0 suggests architectures that can replace the functionality of a phased array without the cost 0 incurred by phase shifters. A comprehensive theory of the phase interactions among devices in such arrays is under development [e.g., Pogorzelski, York, and Maccarini, 1998 AP-S International Symposium, Atlanta, GA. June, 19981.

Pearson, L.W.↗

NASA NTRS2002

A Modified Wall Matching Treatment to Account for Local Solid to Fluid Thermal Coupling

The wall-matching methodology of Wilcox is modified to include a solid-wall, thermal-conduction model. This coupled fluid-thermal-structure model is derived assuming that the wall thermal-structure behavior is locally one-dimensional and that structural deformations, due to thermally induced stresses, are not significant. The one-dimensional coupled fluid-thermal-structure model is derived such that the wall temperature is removed as an independent boundary condition variable. The one-dimensional coupled fluid-thermal-structure model is also derived for the general case of an arbitrary mixture of thermally prefect gases and a wall of arbitrary thickness and conductivity by using a compressible, streamwise-pressure-gradient-corrected, wall-matching function and Fourier's law of heat conduction. The resulting model was implemented in the VULCAN CFD code as a new boundary condition type. VULCAN was then used to simulate a two-dimensional Mach 6 wind tunnel facility nozzle flow to demonstrate/validate the one-dimensional coupled fluid-thermal-structure model. The nozzle internal-wall surface temperature and heat transfer distributions computed using the one-dimensional coupled fluid-thermal-structure model are compared to wall temperature and heat transfer distributions from an iterative multi-dimensional analysis obtained by coupling the VULCAN CFD code and the MSC/NASTRAN-thermal code. The one-dimensional coupled fluid-thermal-structure model analysis is shown to be very robust and in excellent agreement with the multi-dimensional iteratively coupled analysis. It is also shown that the one-dimensional analysis can be used as an initial guess for the multi-dimensional iteratively coupled analysis.

White, Jeffery A.↗

NASA NTRS2004

ENSO Bred Vectors in Coupled Ocean-Atmosphere General Circulation Models

The breeding method has been implemented in the NASA Seasonal-to-Interannual Prediction Project (NSIPP) Coupled General Circulation Model (CGCM) with the goal of improving operational seasonal to interannual climate predictions through ensemble forecasting and data assimilation. The coupled instability as cap'tured by the breeding method is the first attempt to isolate the evolving ENSO instability and its corresponding global atmospheric response in a fully coupled ocean-atmosphere GCM. Our results show that the growth rate of the coupled bred vectors (BV) peaks at about 3 months before a background ENSO event. The dominant growing BV modes are reminiscent of the background ENSO anomalies and show a strong tropical response with wind/SST/thermocline interrelated in a manner similar to the background ENSO mode. They exhibit larger amplitudes in the eastern tropical Pacific, reflecting the natural dynamical sensitivity associated with the presence of the shallow thermocline. Moreover, the extratropical perturbations associated with these coupled BV modes reveal the variations related to the atmospheric teleconnection patterns associated with background ENSO variability, e.g. over the North Pacific and North America. A similar experiment was carried out with the NCEP/CFS03 CGCM. Comparisons between bred vectors from the NSIPP CGCM and NCEP/CFS03 CGCM demonstrate the robustness of the results. Our results strongly suggest that the breeding method can serve as a natural filter to identify the slowly varying, coupled instabilities in a coupled GCM, which can be used to construct ensemble perturbations for ensemble forecasts and to estimate the coupled background error covariance for coupled data assimilation.

Yang, S. C.↗

NASA NTRS2002

A Modified Wall Matching Treatment to Account for Local Solid to Fluid Thermal Coupling

White, Jeffery A.↗

NASA NTRS2002

Coupling Between Microstrip Lines and Finite Ground Coplanar Lines Embedded in Polyimide Layers for 3D-MMICs on Silicon

Three-dimensional circuits built upon multiple layers of polyimide are required for constructing Si/SiGe monolithic microwave/mm-wave integrated circuits on CMOS (low resistivity) Si wafers. It is expected that these circuits will replace the ones fabricated on GaAs and reduce the overall system cost. However, the closely spaced transmission lines that are required for a high-density circuit environment are susceptible to high levels of cross-coupling, which degrades the overall circuit performance. In this paper, theoretical and experimental results on coupling and ways to reduce it are presented for two types of transmission lines: a) the microstrip line and b) the Finite Ground Coplanar (FGC) line. For microstrip lines it is shown that a fence of metalized via-holes can significantly reduce coupling, especially in the case when both lines are on the same polyimide layer or when the shielding structure extends through several polyimide layers. For closely spaced microstrip lines, coupling is lower for a metal filled trench shield than a via-hole fence. Coupling amongst microstrip lines is dependent on the ratio of line separation to polyimide thickness and is primarily due to magnetic fields. For FGC lines it is shown that they have in general low coupling that can be reduced significantly when there is even a small gap between the ground planes of each line. FGC lines have approximately 8 dB lower coupling than coupled coplanar waveguides (CPW). In addition, forward and backward characteristics of the FGC lines do not resemble those of other transmission lines such as microstrip. Therefore, the coupling mechanism of the FGC lines is different compared to thin film microstrip lines.

Ponchak, G. E.↗

NASA NTRS2017

Impact of Coupled Radiation and Ablation on the Aerothermodynamics of Meteor Entries

A high-fidelity approach for simulating the aerothermodynamic environments of meteor entries is developed. Two primary components of this model are coupled radiation and coupled ablation. Coupled radiation accounts for the impact of radiation on the flow field energy equations, while coupled ablation explicitly models the injection of ablation products within the flow field and radiation simulations. For a meteoroid with a velocity of 20 km/s, coupled radiation reduces the stagnation point radiative heating by over 60%. For altitudes below 40 km, the impact of coupled radiation on the flow field structure is shown to be fundamentally different, as a result of the large optical thicknesses, than that seen for reentry vehicles, which do not reach such altitudes at velocities greater than 10 km/s. The impact of coupled ablation (with coupled radiation) is shown to provide at least a 70% reduction in the radiative heating relative to the coupled-radiation-only cases. This large reduction is partially the result of the low ionization energies, relative to air species, of ablation products. The low ionization energies of ablation products, such as Mg and Ca, provide strong photoionization and atomic line absorption in regions of the spectrum that air species do not. MgO and CaO are also shown to provide significant absorption. Turbulence is shown to impact the distribution of ablation products through the shock- layer, which results in up to a 100% increase in the radiative heating downstream of the stagnation point. To create a database of heat transfer coefficients the developed model was applied to a range of cases. This database considered velocities ranging from 14 to 20 km/s, altitudes ranging from 20 to 50 km, and nose radii ranging from 1 to 100 m. The heat transfer coefficients from these simulations are below 0.045 for the range of cases (with turbulence), which is significantly lower than the canonical value of 0.1.

Johnston, Christopher O.↗

NASA NTRS2024

Enabling Advanced Snow Physics within Land Surface Models Through an Interoperable Model-Physics Coupling Framework

Accurate estimation of snow accumulation and melt is a critical part of decision-making in snow-dominated watersheds. In this study, we demonstrate a flexible methodology to couple a detailed snow model, Crocus, separately to two different land surface models (LSMs), Noah-MP and Noah. The original LSMs and the coupled models (Noah-MP-Crocus and Noah-Crocus) are used to simulate snow depth, snow water equivalent, and other water and energy states and fluxes. The results of simulations are compared against a wide range of independent gridded and point scale reference datasets. Our results show that coupling the detailed snow model, Crocus, with the LSMs improves the snow depth and snow water equivalent relative to independent observations. Overall, larger improvements are obtained with coupling Crocus to the Noah LSM, with the coupled Noah-Crocus configuration reducing the RMSE and bias of snow depth from 2-12% and 57-75%, respectively, relative to Snow Data Assimilation System (SNODAS) and snow product from the University of Arizona. On the other hand, smaller improvements are obtained by coupling Crocus with Noah-MP. The Coupled Noah-MP-Crocus reduces the snow depth bias but slightly degrades the RMSE of snow depth and snow water equivalent. The corresponding impacts in other water budget terms such as evapotranspiration, soil moisture, and streamflow, however, are mixed, pointing to the significant need to improve the coupling assumptions of these processes within land models. Overall, the interoperable coupling framework demonstrated here offers the opportunity to include more detailed snow physics and processes, and to advance data assimilation systems through improved exploitation of information from snow remote sensing instruments.

Snow model↗

NASA NTRS1995

An investigation of the effects of pitch-roll (de)-coupling on helicopter handling qualities

An investigation of the effects of pitch-roll coupling on helicopter handling qualities was performed by the US Army and DLR, using a NASA ground-based and a DLR inflight simulator. Over 90 different coupling configurations were evaluated using a roll-axis tracking task. The results show that although the current ADS-33C coupling criterion discriminates against those types of coupling typical of conventionally controlled helicopters, it not always suited for the prediction of handling qualities of helicopters with modern control systems. Based on the observation that high frequency inputs during tracking are used to alleviate coupling, a frequency domain pitch-roll coupling criterion that uses the average coupling ratio between the bandwidth and neutral stability frequency is formulated. This criterion provides a more comprehensive coverage with respect to the different types of coupling and shows excellent consistency.

CONTROL COUPLING↗

DOE OSTI2021

A Review of Local-to-Nonlocal Coupling Methods in Nonlocal Diffusion and Nonlocal Mechanics

Local-to-nonlocal (LtN) coupling refers to a class of methods aimed at combining nonlocal and local modeling descriptions of a given system into a unified coupled representation. This allows to consolidate the accuracy of nonlocal models with the computational expediency of their local counterparts, while often simultaneously removing nonlocal modeling issues such as surface effects. The number and variety of proposed LtN coupling approaches have significantly grown in recent years, yet the field of LtN coupling continues to grow and still has open challenges. This review provides an overview of the state of the art of LtN coupling in the context of nonlocal diffusion and nonlocal mechanics, specifically peridynamics. Furthermore, we present a classification of LtN coupling methods and discuss common features and challenges. The goal of this review is not to provide a preferred way to address LtN coupling but to present a broad perspective of the field, which would serve as guidance for practitioners in the selection of appropriate LtN coupling methods based on the characteristics and needs of the problem under consideration.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2022

Optimizing molecular light absorption in the strong coupling regime for solar energy harvesting

The strong coupling of optical absorbers (e.g., molecules or semiconductors) to confined photonic modes fundamentally alters the physical properties of the coupled system via the formation of hybrid light-matter states. One potential application of strong light-matter coupling relies on exploiting it to localize light-induced charge excitation processes to small volumes of material. Applications that would benefit from this localization include thin-film photovoltaics, photodetection, photocatalysis, and others, where the overall performance depends on the ability of a material to amplify light absorption (i.e., the formation of electron-hole pairs) within specific locations in space. This contribution investigates how strong light-matter coupling affects light absorption rates in molecular absorbers coupled to photonic nanostructures. Here, our results show that the molecular light absorption efficiencies are highest in configurations where the strongly coupled molecules interact directly with the incoming photon flux. We also identify a nonlinear dependence in the molecular absorption as a function of concentration, unique to the strongly coupled systems. Based on these results, we propose design principles for engineering nanostructured systems that allow for high efficiencies of charge carrier localization into strongly coupled absorbers.

14 SOLAR ENERGY↗