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DOE OSTI2015

Optomechanical coupling in phoxonic–plasmonic slab cavities with periodic metal strips

We theoretically investigate the optomechanical (OM) coupling of submicron cavities formed in one-dimensional phoxonic–plasmonic slabs. The phoxonic–plasmonic slabs are structured by depositing periodic Ag strips onto the top surfaces of dielectric GaAs slabs to produce dual band gaps for both electromagnetic and acoustic waves, thereby inducing the coupling of surface plasmons with photons for tailoring the OM coupling. We quantify the OM coupling by calculating the temporal modulation of the optical resonance wavelength with the acoustic phonon-induced photoelastic (PE) and moving-boundary (MB) effects. We also consider the appearance of a uniform Ag layer on the bottom surface of the slabs to modulate the photonic–plasmonic coupling. The results show that the PE and MB effects can be constructive or destructive in the overall OM coupling, and their magnitudes depend not only on the quality factors of the resonant modes but also on the mode area, mode overlap, and individual symmetries of the photonic–phononic mode pairs. Lowering the mode area could be effective for enhancing the OM coupling of subwavelength photons and phonons. This study introduces possible engineering applications to achieve enhanced interaction between photons and phonons in nanoscale OM devices.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2015

Towards a global model of spin-orbit coupling in the halocarbenes

We report a global analysis of spin-orbit coupling in the mono-halocarbenes, CH(D)X, where X = Cl, Br, and I. These are model systems for examining carbene singlet-triplet energy gaps and spin-orbit coupling. Over the past decade, rich data sets collected using single vibronic level emission spectroscopy and stimulated emission pumping spectroscopy have yielded much information on the ground vibrational level structure and clearly demonstrated the presence of perturbations involving the low-lying triplet state. To model these interactions globally, we compare two approaches. First, we employ a diabatic treatment of the spin-orbit coupling, where the coupling matrix elements are written in terms of a purely electronic spin-orbit matrix element which is independent of nuclear coordinates, and an integral representing the overlap of the singlet and triplet vibrational wavefunctions. In this way, the structures, harmonic frequencies, and normal mode displacements from ab initio calculations were used to calculate the vibrational overlaps of the singlet and triplet state levels, including the full effects of Duschinsky mixing. These calculations have allowed many new assignments to be made, particularly for CHI, and provided spin-orbit coupling parameters and values for the singlet-triplet gaps. In a second approach, we have computed and fit full geometry dependent spin-orbit coupling surfaces and used them to compute matrix elements without the product form approximation. Those matrix elements were used in similar fits varying the anharmonic constants and singlet-triplet gap to reproduce the experimental levels. The derived spin-orbit parameters for carbenes CHX (X = Cl, Br, and I) show an excellent linear correlation with the atomic spin-orbit constant of the corresponding halogen, indicating that the spin-orbit coupling in the carbenes is consistently around 14% of the atomic value.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2012

Parameter Sweep and Optimization of Loosely Coupled Simulations Using the DAKOTA Toolkit

The increasing availability of large scale computing capabilities has accelerated the development of high-fidelity coupled simulations. Such simulations typically involve the integration of models that implement various aspects of the complex phenomena under investigation. Coupled simulations are playing an integral role in fields such as climate modeling, earth systems modeling, rocket simulations, computational chemistry, fusion research, and many other computational fields. Model coupling provides scientists with systematic ways to virtually explore the physical, mathematical, and computational aspects of the problem. Such exploration is rarely done using a single execution of a simulation, but rather by aggregating the results from many simulation runs that, together, serve to bring to light novel knowledge about the system under investigation. Furthermore, it is often the case (particularly in engineering disciplines) that the study of the underlying system takes the form of an optimization regime, where the control parameter space is explored to optimize an objective functions that captures system realizability, cost, performance, or a combination thereof. Novel and flexible frameworks that facilitate the integration of the disparate models into a holistic simulation are used to perform this research, while making efficient use of the available computational resources. In this paper, we describe the integration of the DAKOTA optimization and parameter sweep toolkit with the Integrated Plasma Simulator (IPS), a component-based framework for loosely coupled simulations. The integration allows DAKOTA to exploit the internal task and resource management of the IPS to dynamically instantiate simulation instances within a single IPS instance, allowing for greater control over the trade-off between efficiency of resource utilization and time to completion. We present a case study showing the use of the combined DAKOTA-IPS system to aid in the design of a lithium ion battery (LIB) cell, by studying a coupled system involving the electrochemistry and ion transport at the lower length scales and thermal energy transport at the device scales. The DAKOTA-IPS system provides a flexible tool for use in optimization and parameter sweep studies involving loosely coupled simulations that is suitable for use in situations where changes to the constituent components in the coupled simulation are impractical due to intellectual property or code heritage issues.

IPS CAEBAT Coupled Battery Simulations↗

DOE OSTI2021

Generic Multi-Frequency Modelling of Converter-Connected Renewable Energy Generators Considering Frequency and Sequence Couplings

Frequency and sequence couplings can compromise the trustworthiness of multi-frequency models for converter-based systems. There have been effective attempts to address the couplings mainly by linearized averaged models. Only a few studies have been conducted on practical optimization of such models with enormous matrices and experimental results. This paper provides a generic theory for coupling patterns and proposes a multi-frequency modelling method to detect and address only the main couplings in the sequence domain for converter-connected renewable energy generators. The proposed generic model is based on empirical tests using small-signal perturbations and adopting Fourier transform on the switching converter response. The proposed theory and modelling methodology are verified using a 7MVA grid emulator for voltage perturbation tests on a 2MVA photo-voltaic converter. Accordingly, the couplings can exist in more generic forms, including multiples of perturbation and fundamental frequencies. To the best of our knowledge, the patterns with the multiples of the perturbation frequency have been overlooked in the literature. Furthermore, the mirror frequency concept is valid for all coupling patterns and is included in the proposed model. Besides, the proposed patterns and the environment noise levels have been practical criteria for selecting the main couplings.

frequency and sequence couplings↗

DOE OSTI2012

Waterless Coupling of Ultrasound from Planar Contact Transducers to Curved and Irregular Surfaces during Non-destructive Ultrasonic Evaluations

The Applied Physics group at the Pacific The Applied Physics group at the Pacific Northwest National Laboratory (PNNL) in Richland, WA has evaluated a method for waterless/liquidless coupling of ultrasonic energy from planar ultrasonic contact transducers to irregular test surfaces for ultrasonic non-destructive evaluation applications. Dry couplant material placed between a planar transducer face and a curved or uneven steel or plastic surface allows for effective sound energy coupling and preserves the integrity of the planar transducer sound field by serving as an acoustic impedance matching layer, providing good surface area contact between geometrically dissimilar surfaces and conforming to rough and unsmooth surfaces. Sound fields radiating from planar ultrasonic contact transducers coupled to curved and uneven surfaces using the dry coupling method were scanned and mapped using a Pinducer receiver connected to a raster scanner. Transducer sound field coverage at several ultrasonic frequencies and several distances from the transducer contact locations were found to be in good agreement with theoretical beam divergence and sound field coverage predictions for planar transducers coupled to simple, planar surfaces. This method is valuable for applications that do not allow for the use of traditional liquid-based ultrasonic couplants due to the sensitivity of the test materials to liquids and for applications that might otherwise require curved transducers or custom coupling wedges. The selection of dry coupling material is reported along with the results of theoretical sound field predictions, the laboratory testing apparatus and the empirical sound field data.

Couplant↗

DOE OSTI2012

Initial Coupling of the RELAP-7 and PRONGHORN Applications

Modern nuclear reactor safety codes require the ability to solve detailed coupled neutronic- thermal fluids problems. For larger cores, this implies fully coupled higher dimensionality spatial dynamics with appropriate feedback models that can provide enough resolution to accurately compute core heat generation and removal during steady and unsteady conditions. The reactor analysis code PRONGHORN is being coupled to RELAP-7 as a first step to extend RELAP’s current capabilities. This report details the mathematical models, the type of coupling, and the testing results from the integrated system. RELAP-7 is a MOOSE-based application that solves the continuity, momentum, and energy equations in 1-D for a compressible fluid. The pipe and joint capabilities enable it to model parts of the power conversion unit. The PRONGHORN application, also developed on the MOOSE infrastructure, solves the coupled equations that define the neutron diffusion, fluid flow, and heat transfer in a full core model. The two systems are loosely coupled to simplify the transition towards a more complex infrastructure. The integration is tested on a simplified version of the OECD/NEA MHTGR-350 Coupled Neutronics-Thermal Fluids benchmark model.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

DOE OSTI2013

Results of U-xMo (x=7, 10, 12 wt.%) Alloy Versus Al-6061 Cladding Diffusion Couple Experiments Performed at 500, 550 and 600°C

The Reduced Enrichment for Research and Test Reactors (RERTR) program has been developing low enrichment fuel systems encased in Al 6061 for use in research and test reactors. U–Mo alloys in contact with Al and Al alloys can undergo diffusional interactions that can result in the development of interdiffusion zones with complex fine-grained microstructures composed of multiple phases. A monolithic fuel currently being developed by the RERTR program has local regions where the U–Mo fuel plate is in contact with the Al 6061 cladding and, as a result, the program finds information about interdiffusion zone development at high temperatures of interest. In this study, the microstructural development of diffusion couples consisting of U-7wt.%Mo, U-10wt.%Mo, and U-12wt.%Mo vs. Al 6061 (or 6061 aluminum) cladding, annealed at 500, 550, 600 degrees C for 1, 5, 20, 24, or 132 hours, was analyzed by backscatter electron microscopy and x-ray energy dispersive spectroscopy on a scanning electron microscope. Concentration profiles were determined by standardized wavelength dispersive spectroscopy and standardless x-ray energy dispersive spectroscopy. The results of this work shows that the presence of surface layers at the U–Mo/Al 6061 interface can dramatically impact the overall interdiffusion behavior in terms of rate of interaction and uniformity of the developed interdiffusion zones. It further reveals that relatively uniform interaction layers with higher Si concentrations can develop in U–Mo/Al 6061 couples annealed at shorter times and that longer times at temperature result in the development of more non-uniform interaction layers with more areas that are enriched in Al. At longer annealing times and relatively high temperatures, U–Mo/Al 6061 couples can exhibit more interaction compared to U–Mo/pure Al couples. The minor alloying constituents in Al 6061 cladding can result in the development of many complex phases in the interaction layer of U–Mo/Al–6061 cladding couples, and some phases in the interdiffusion zones of U–Mo/Al–6061 cladding couples are likely similar to those observed for U–Mo/pure Al couples.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

NASA NTRS2015

Ocean-Atmosphere Coupled Model Simulations of Precipitation in the Central Andes

The meridional extent and complex orography of the South American continent contributes to a wide diversity of climate regimes ranging from hyper-arid deserts to tropical rainforests to sub-polar highland regions. In addition, South American meteorology and climate are also made further complicated by ENSO, a powerful coupled ocean-atmosphere phenomenon. Modelling studies in this region have typically resorted to either atmospheric mesoscale or atmosphere-ocean coupled global climate models. The latter offers full physics and high spatial resolution, but it is computationally inefficient typically lack an interactive ocean, whereas the former offers high computational efficiency and ocean-atmosphere coupling, but it lacks adequate spatial and temporal resolution to adequate resolve the complex orography and explicitly simulate precipitation. Explicit simulation of precipitation is vital in the Central Andes where rainfall rates are light (0.5-5 mm hr-1), there is strong seasonality, and most precipitation is associated with weak mesoscale-organized convection. Recent increases in both computational power and model development have led to the advent of coupled ocean-atmosphere mesoscale models for both weather and climate study applications. These modelling systems, while computationally expensive, include two-way ocean-atmosphere coupling, high resolution, and explicit simulation of precipitation. In this study, we use the Coupled Ocean-Atmosphere-Wave-Sediment Transport (COAWST), a fully-coupled mesoscale atmosphere-ocean modeling system. Previous work has shown COAWST to reasonably simulate the entire 2003-2004 wet season (Dec-Feb) as validated against both satellite and model analysis data when ECMWF interim analysis data were used for boundary conditions on a 27-9-km grid configuration (Outer grid extent: 60.4S to 17.7N and 118.6W to 17.4W).

Regional Climate Model↗

DOE OSTI2011

Study of Single and Coupled-Bunch Instabilities for NSLS-II

We study single and coupled-bunch instabilities for the NSLS-II storage ring with a recently developed parallel tracking code. For accurate modelling of the coupled-bunch instability, we investigate improvements to current point-bunch models to take into account finite bunch-size effects. Accurate modelling of single and coupled-bunch instabilities is of crucial importance for the machine performance of light sources such as NSLS-II, that provide high current beams. The complexity of the model consists in the accurate calculation of the impedance of the various components of the ring that can excite single and multibunch instabilities via short and long range wakefields. Moreover, a full account of the coupling between transverse and longitudinal dynamics must be taken into account to study effects such as chromaticity and Landau cavity effects. A parallel algorithm for the study of single and coupled-bunch instabilities has been implemented in a particle tracking code. The theoretical framework for single bunch instabilities is the same used in the code TRANFT, while for coupled-bunch instabilities a self-consistent algorithm has been implemented to allow the study of finite bunch-size effects and multibunch effects in arbitrary filling modes. In this paper we present numerical studies of the microwave instability for NSLS-II and discuss the self-consistent algorithm for simulation of coupled-bunch instabilities.

43 PARTICLE ACCELERATORS↗

DOE OSTI2010

Two way coupling RAM-SCB to the space weather modeling framework

The Ring current Atmosphere interaction Model with Self-Consistently calculated 3D Magnetic field (RAM-SCB) has been used to successfully study inner magnetosphere dynamics during different solar wind and magnetosphere conditions. Recently, one way coupling of RAM-SCB with the Space Weather Modeling Framework (SWMF) has been achieved to replace all data or empirical inputs with those obtained through first-principles-based codes: magnetic field and plasma flux outer boundary conditions are provided by the Block Adaptive Tree Solar wind Roe-type Upwind Scheme (BATS-R-US) MHO code, convection electric field is provided by the Ridley Ionosphere Model (RIM), and ion composition is provided by the Polar Wind Outflow Model (PWOM) combined with a multi-species MHO approach. These advances, though creating a powerful inner magnetosphere virtual laboratory, neglect the important mechanisms through which the ring current feeds back into the whole system, primarily the stretching of the magnetic field lines and shielding of the convection electric field through strong region two Field Aligned Currents (FACs). In turn, changing the magnetosphere in this way changes the evolution of the ring current. To address this shortcoming, the coupling has been expanded to include feedback from RAM-SCB to the other coupled codes: region two FACs are returned to the RIM while total plasma pressure is used to nudge the MHO solution towards the RAMSCB values. The impacts of the two way coupling are evaluated on three levels: the global magnetospheric level, focusing on the impact on the ionosphere and the shape of the magnetosphere, the regional level, examining the impact on the development of the ring current in terms of energy density, anisotropy, and plasma distribution, and the local level to compare the new results to in-situ measurements of magnetic and electric field and plasma. The results will also be compared to past simulations using the one way coupling and no coupling whatsoever. This work is the first to fully couple an anisotropic kinetic ring current code with a selfconsistently calculated magnetic field to a set of global models.

47 OTHER INSTRUMENTATION↗

DOE OSTI2017

Fully vs. Sequentially Coupled Loads Analysis of Offshore Wind Turbines

The design and analysis methods for offshore wind turbines must consider the aerodynamic and hydrodynamic loads and response of the entire system (turbine, tower, substructure, and foundation) coupled to the turbine control system dynamics. Whereas a fully coupled (turbine and support structure) modeling approach is more rigorous, intellectual property concerns can preclude this approach. In fact, turbine control system algorithms and turbine properties are strictly guarded and often not shared. In many cases, a partially coupled analysis using separate tools and an exchange of reduced sets of data via sequential coupling may be necessary. In the sequentially coupled approach, the turbine and substructure designers will independently determine and exchange an abridged model of their respective subsystems to be used in their partners' dynamic simulations. Although the ability to achieve design optimization is sacrificed to some degree with a sequentially coupled analysis method, the central question here is whether this approach can deliver the required safety and how the differences in the results from the fully coupled method could affect the design. This work summarizes the scope and preliminary results of a study conducted for the Bureau of Safety and Environmental Enforcement aimed at quantifying differences between these approaches through aero-hydro-servo-elastic simulations of two offshore wind turbines on a monopile and jacket substructure.

17 WIND ENERGY↗

DOE OSTI2012

Optimization of a coupling scheme between MCNP5 and SUBCHANFLOW for high fidelity modeling of LWR reactors

In order to increase the accuracy and the degree of spatial resolution of core design studies, coupled Three-Dimensional (3D) neutronics (deterministic and Monte Carlo) and 3D thermal hydraulics (CFD and sub-channel) codes are being developed worldwide. In this paper the optimization of a coupling between MCNP5 code and an in-house development thermal-hydraulics code SUBCHANFLOW is presented. Various improvements of the coupling methodology are presented. With the help of novel interpolation tool a consistent methodology for the preparation of thermal scattering data library have been developed, ensuring that inelastic scattering from bound nuclei is treated at the correct moderator temperature. Trough the utilization of a hybrid coupling with discrete energy Monte-Carlo code KENO a methodology for acceleration of the coupled calculation is being demonstrated. In this approach an additional coupling between KENO and SUBCHANFLOW was developed, the converged results of which are used as initial conditions for the MCNP-SUBCHANFLOW coupling. Acceleration of fission source distribution convergence, by sampling fission source distribution from the power distribution obtained by KENO is also demonstrated. (authors)

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

DOE OSTI2024

Verification and Validation Activities of Molten Salt Reactors Multiphysics Coupling Schemes at Idaho National Laboratory

This paper presents the latest verification and validation activities in molten salt reactor modeling and simulation performed at Idaho National Laboratory. Multiphysics solutions are obtained by coupling the neutronics code Griffin, the thermal hydraulics code Pronghorn, and the system analysis code SAM, under the MOOSE framework. We present various multiphysics coupling schemes with these codes for molten salt reactor problems and provide verification and validation results. First, we present verification test results of the Griffin-Pronghorn coupled scheme for the CNRS benchmark. Then validation test results are presented for the Griffin-SAM coupled scheme for the pump startup and coast down transients of the Molten Salt Reactor Experiment. Finally, the Griffin-Pronghorn-SAM coupled scheme is demonstrated for the Molten Salt Reactor Experiment reactivity insertion transient using a domain-overlapping coupling algorithm between Pronghorn and SAM. The results of these various coupling schemes demonstrate the ability to capture the effect of fuel flow and the various feedback mechanisms important to MSRs.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

DOE OSTI2022

Anharmonic Cation–Anion Coupling Dynamics Assisted Lithium‐Ion Diffusion in Sulfide Solid Electrolytes

Abstract Sulfide‐based lithium superionic conductors often show higher Li‐ion conductivity than other types of electrolyte materials. This work unveils a unique Li‐ion conductive behavior in these materials through the perspective of anharmonic coupling assisted Li‐ion diffusion. Li hopping events can happen simultaneously with various types of lattice dynamics, while only a statistically important synchronization of motions may indicate coupling. This method enables a direct evaluation of the coupling strength between these motions, which more fundamentally decides if a specific type of lattice motion is really anharmonically coupled to the Li hopping event and whether the coupling can facilitate the Li diffusion. By a new ab initio computational approach, this work unveils a unique phenomenon in prototype sulfide electrolytes in comparison with typical halide ones, that Li‐ion conduction can be boosted by the anharmonic coupling of low‐frequency Li phonon modes with high‐frequency anion stretching or flexing phonon modes, rather than the low‐frequency rotational modes. The coupling pushes Li ions toward the diffusion channels for reduced diffusion barriers. The result from the lower temperature range (≈0–300 K) of simulation can also be more relevant to the application of solid‐state batteries.

Chemistry↗

DOE OSTI2024

Global brain activity and its coupling with cerebrospinal fluid flow is related to tau pathology

Abstract INTRODUCTION Factors responsible for the deposition of pathological tau in the brain are incompletely understood. This study links macroscale tau deposition in the human brain to cerebrospinal fluid (CSF) flow dynamics using resting‐state functional magnetic resonance imaging (rsfMRI). METHODS Low‐frequency (< 0.1 Hz) resting‐state global brain activity is coupled with CSF flow and potentially reflects CSF dynamics‐related clearance. We examined the correlation between rsfMRI measures of CSF inflow and global activity (gBOLD–CSF coupling) as a predictor, interacting with amyloid beta (Aβ), of tau and cortical thickness (dependent variables) across Alzheimer's Disease Neuroimaging Initiative (ADNI) participants from cognitively unimpaired through mild cognitive impairment (MCI) and Alzheimer's disease (AD). RESULTS Tau deposition in Aβ+ participants, accompanied by cortical thinning and cognitive decline, is associated with decreased gBOLD–CSF coupling. Tau mediates the relationship between coupling and thickness. DISCUSSION Findings suggest that resting‐state global brain activity and CSF movements comodulate Alzheimer's tau deposition, presumably related to CSF clearance. Highlights A non‐invasive functional magnetic resonance imaging (fMRI) assessment of a CSF clearance‐related process is carried out. Global brain activity is coupled with CSF inflow in human fMRI during resting state. Global fMRI–CSF coupling is correlated with tau in Alzheimer's disease (AD). This coupling measure is also associated with cortical thickness, mediated by tau.

Neurosciences & Neurology↗

DOE OSTI2015

Coupling of Independent Electrochemical Reactions and Fluorescence at Closed Bipolar Interdigitated Electrode Arrays

Electrochemical reactions occurring at the opposite ends of bipolar electrodes (BPEs) are necessarily coupled, enabling electron transfer events at one end to be read out optically, for example, by coupling to fluorogenic reactions at the other end. In order to explore the potential of this technique for studying multiple redox events, arrays of parallel BPE interdigitated electrode arrays (IDEAs) were fabricated and integrated with separate analytical and reporter microfluidic channels, respectively, in a closed BPE configuration. The apparatus was initially evaluated employing Fe(CN) 6 3/4- in the analytical channel coupled to weakly emissive resazurin and strongly emissive resorufin as the fluorogenic redox reporter pair. We then used the device to investigate a proton-coupled electron transfer reaction, hydroquinone (QH 2 ) oxidation, in structures with an integrated pH modulation electrode (PME). A pH-sensitive dye, fluorescein, was co-introduced into the analytical channel to monitor PME modulation of solution pH, and its coupling to QH 2 oxidation, thereby permitting changes in solution pH, and consequently QH 2 oxidation rate, to be monitored directly in the analytical channel and compared to the fluorescence in the reporter channel. Additionally, diffusion of OH - generated at the PME produced a spatial pH profile that was visualized via fluorescein emission, and, because the oxidation of QH 2 at each BPE is strongly dependent on the local pH, via the coupled fluorogenic reaction at the opposite pole of the corresponding BPE digit in the reporter channel. Thus, BPE IDEAs support the coupling of independent redox reactions and the use of fluorescence imaging to explore a diverse set of spatially varying electrochemical phenomena realized in a variety of electrochemical geometries.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2015

Influences of Quantum Mechanically Mixed Electronic and Vibrational Pigment States in 2D Electronic Spectra of Photosynthetic Systems: Strong Electronic Coupling Cases

In 2D electronic spectroscopy studies, long-lived quantum beats have recently been observed in photosynthetic systems, and several theoretical studies have suggested that the beats are produced by quantum mechanically mixed electronic and vibrational states. Concerning the electronic-vibrational quantum mixtures, the impact of protein-induced fluctuations was examined by calculating the 2D electronic spectra of a weakly coupled dimer with the Franck-Condon active vibrational modes in the resonant condition. This analysis demonstrated that quantum mixtures of the vibronic resonance are rather robust under the influence of the fluctuations at cryogenic temperatures, whereas the mixtures are eradicated by the fluctuations at physiological temperatures. However, this conclusion cannot be generalized because the magnitude of the coupling inducing the quantum mixtures is proportional to the inter-pigment electronic coupling. In this paper, we explore the impact of the fluctuations on electronic-vibrational quantum mixtures in a strongly coupled dimer with an off-resonant vibrational mode. Toward this end, we calculate energy transfer dynamics and 2D electronic spectra of a model dimer that corresponds to the most strongly coupled bacteriochlorophyll molecules in the Fenna-Matthews-Olson complex in a numerically accurate manner. The quantum mixtures are found to be robust under the exposure of protein-induced fluctuations at cryogenic temperatures, irrespective of the resonance. At 300 K, however, the quantum mixing is disturbed more strongly by the fluctuations, and therefore, the beats in the 2D spectra become obscure even in a strongly coupled dimer with a resonant vibrational mode. Further, the overall behaviors of the energy transfer dynamics are demonstrated to be dominated by the environment and coupling between the 0 0 vibronic transitions as long as the Huang-Rhys factor of the vibrational mode is small. Finally, the electronic-vibrational quantum mixtures do not necessarily play a significant role in electronic energy transfer dynamics despite contributing to the enhancement of long-lived quantum beating in the 2D spectra.

2D electronic spectra↗

DOE OSTI2017

Light weakly coupled axial forces: models, constraints, and projections

Here, we investigate the landscape of constraints on MeV-GeV scale, hidden U(1) forces with nonzero axial-vector couplings to Standard Model fermions. While the purely vector-coupled dark photon, which may arise from kinetic mixing, is a well-motivated scenario, several MeV-scale anomalies motivate a theory with axial couplings which can be UV-completed consistent with Standard Model gauge invariance. Moreover, existing constraints on dark photons depend on products of various combinations of axial and vector couplings, making it difficult to isolate the e ects of axial couplings for particular flavors of SM fermions. We present a representative renormalizable, UV-complete model of a dark photon with adjustable axial and vector couplings, discuss its general features, and show how some UV constraints may be relaxed in a model with nonrenormalizable Yukawa couplings at the expense of fine-tuning. We survey the existing parameter space and the projected reach of planned experiments, brie y commenting on the relevance of the allowed parameter space to low-energy anomalies in π 0 and 8 Be* decay.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗