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Transition metal dichalcogenides are investigated for various applications at the nanoscale thanks to their unique combination of properties and dimensionality. For many of the anticipated applications, heat conduction plays an important role. At the same time, these materials often contain relatively large amounts of point defects. Here, we provide a systematic analysis of the impact of intrinsic and selected extrinsic defects on the lattice thermal conductivity of MoS$_2$ and WS$_2$ monolayers. We combine Boltzmann transport theory and the Green's function-based T-matrix approach for the calculation of scattering rates. The force constants for the defect configurations are obtained from density functional theory calculations via a regression approach, which allows us to sample a rather large number of defects at a moderate computational cost and to systematically enforce both the translational and rotational acoustic sum rules. The calculated lattice thermal conductivity is in quantitative agreement with experimental data for heat transport and defect concentrations for both MoS$_2$ and WS$_2$. Crucially, this demonstrates that the strong deviation from a 1/T-temperature dependence of the lattice thermal conductivity observed experimentally, can be fully explained by the presence of point defects. We furthermore predict the scattering strengths of the intrinsic defects to decrease in the sequence $V_{Mo}\approx V_{2S}^=>V_{2S}^\perp>V_S>S_{ad}$ in both materials, while the scattering rates for the extrinsic (adatom) defects decrease with increasing mass such that Li$_{ad}$>Na$_{ad}$>K$_{ad}$. Compared to earlier work, we find that both intrinsic and extrinsic adatoms are relatively weak scatterers. We attribute this difference to the treatment of the translational and rotational acoustic sum rules, which if not enforced can lead to spurious contributions in the zero-frequency limit., Comment: 8 pages, 4 figures

The spectral energy density (SED) method is used to obtain the phonon dispersion of materials in molecular dynamics codes, e.g., LAMMPS. We show how the electric analog of the SED method can be done using commercial circuit simulators to find the dispersion of periodic lossless LC circuits. The purpose of this article is (a) to demonstrate how SED proves useful, should the analytic methods of calculating dispersion of a circuit render difficult e.g., due to nonlinearity or having large number of elements in each unit-cell, and (b) to show how the concepts like Brillouin zone (BZ), dispersion (or band structure), zone folding, gap formation, and avoided crossing can be taught to students of electrical engineering by highlighting the analogies between phonons and periodic circuits. This analogy also suggests that thermal devices, e.g., heat rectifiers can be simulated and understood using commercial circuit simulators., Comment: 9 pages, 10 Figures

Bosonic qubits are a promising route to building fault-tolerant quantum computers on a variety of physical platforms. Studying the performance of bosonic qubits under realistic gates and measurements is challenging with existing analytical and numerical tools. We present a novel formalism for simulating classes of states that can be represented as linear combinations of Gaussian functions in phase space. This formalism allows us to analyze and simulate a wide class of non-Gaussian states, transformations and measurements. We demonstrate how useful classes of bosonic qubits -- Gottesman-Kitaev-Preskill (GKP), cat, and Fock states -- can be simulated using this formalism, opening the door to investigating the behaviour of bosonic qubits under Gaussian channels and measurements, non-Gaussian transformations such as those achieved via gate teleportation, and important non-Gaussian measurements such as threshold and photon-number detection. Our formalism enables simulating these situations with levels of accuracy that are not feasible with existing methods. Finally, we use a method informed by our formalism to simulate circuits critical to the study of fault-tolerant quantum computing with bosonic qubits but beyond the reach of existing techniques. Specifically, we examine how finite-energy GKP states transform under realistic qubit phase gates; interface with a CV cluster state; and transform under non-Clifford T gate teleportation using magic states. We implement our simulation method as a part of the open-source Strawberry Fields Python library., Comment: Code available at: https://github.com/XanaduAI/strawberryfields. Documentation available at: https://strawberryfields.readthedocs.io/en/latest/. Tutorials available at: https://strawberryfields.ai/photonics/demonstrations.html

Growing interest in quantum computing for practical applications has led to a surge in the availability of programmable machines for executing quantum algorithms. Present day photonic quantum computers have been limited either to non-deterministic operation, low photon numbers and rates, or fixed random gate sequences. Here we introduce a full-stack hardware-software system for executing many-photon quantum circuits using integrated nanophotonics: a programmable chip, operating at room temperature and interfaced with a fully automated control system. It enables remote users to execute quantum algorithms requiring up to eight modes of strongly squeezed vacuum initialized as two-mode squeezed states in single temporal modes, a fully general and programmable four-mode interferometer, and genuine photon number-resolving readout on all outputs. Multi-photon detection events with photon numbers and rates exceeding any previous quantum optical demonstration on a programmable device are made possible by strong squeezing and high sampling rates. We verify the non-classicality of the device output, and use the platform to carry out proof-of-principle demonstrations of three quantum algorithms: Gaussian boson sampling, molecular vibronic spectra, and graph similarity.

Finland continues to lead the world in the global Program for International Student Assessment (PISA) results (Ministry of Education and Culture, 2016). Much has been written about Finland's common basic curriculum for all (grades one to nine), however little has been shared regarding Finland's secondary vocational education programs. Finland has a dual system of secondary education: academic and vocational. In Finland, education is a civic right for all children (and adults). Finland invest in their children from birth. All children receive tuition free preschool/daycare starting at age one, and a common comprehensive public-school education (grades one to nine) starting at age 7 (Sahlberg, 2015). At the age of 16, half of all students select vocational education as their secondary education curriculum. This article describes how Finland's secondary vocational education programs recent growth and change as well as early outcomes of this growth.

Deterministic nanoassembly may enable unique integrated on-chip quantum photonic devices. Such integration requires a careful large-scale selection of nanoscale building blocks such as solid-state single-photon emitters by the means of optical characterization. Second-order autocorrelation is a cornerstone measurement that is particularly time-consuming to realize on a large scale. We have implemented supervised machine learning-based classification of quantum emitters as "single" or "not-single" based on their sparse autocorrelation data. Our method yields a classification accuracy of over 90% within an integration time of less than a second, realizing roughly a hundredfold speedup compared to the conventional, Levenberg-Marquardt approach. We anticipate that machine learning-based classification will provide a unique route to enable rapid and scalable assembly of quantum nanophotonic devices and can be directly extended to other quantum optical measurements., Comment: Adv. Quantum Technol. 2020

Nanomechanical resonators have emerged as sensors with exceptional sensitivities. These sensing capabilities open new possibilities in the studies of the thermodynamic properties in condensed matter. Here, we use mechanical sensing as a novel approach to measure the thermal properties of low-dimensional materials. We measure the temperature dependence of both the thermal conductivity and the specific heat capacity of a transition metal dichalcogenide (TMD) monolayer down to cryogenic temperature, something that has not been achieved thus far with a single nanoscale object. These measurements show how heat is transported by phonons in two-dimensional systems. Both the thermal conductivity and the specific heat capacity measurements are consistent with predictions based on first-principles.

We have investigated surface shear waves at 22 MHz in a 0.5-micron-thick polymer film on SiO2/Si substrate at low temperatures using suspended and non-suspended graphene as detectors. By tracking ultrasound modes detected by oscillations of a trilayer graphene membrane both in vacuum and in helium superfluid, we assign the resonances to surface shear modes, generalized Love waves, in the resist/silicon-substrate system loaded with gold. The propagation velocity of these shear modes displays a logarithmic temperature dependence below 1 K, which is characteristic for modification of the elastic properties of a disordered solid owing to a large density of two level state (TLS) systems. For the dissipation of the shear mode, we find a striking logarithmic temperature dependence, which indicates a basic relation between the speed of the surface wave propagation and the mode dissipation., Comment: 16 pages, 5 figures

Conversion of heat-flux, from a steady state temperature difference, to mechanical vibration is demonstrated in graphene nanoribbons using direct non-equilibrium molecular dynamics (NEMD). We observe that this effect is independent of the method of imposing the temperature gradient, heat flux as well as imposed boundary conditions. We propose that simply dividing the nanoribbon in long and short sections using a partially immobilized area will lead to excitation of long-wavelength vibrations in the long section of the nanoribbon. This results in simpler architectures for heat-to-vibration converter devices based on graphene or other 2D materials. Furthermore we observe that applying tensile axial strain to nanoribbons, facilitates vibrational instability by reducing the required threshold heat flux or temperature gradient. Finally, we discuss the role played by Umklapp scattering for physical mechanisms behind these observations., Comment: 9 Figures

PennyLane is a Python 3 software framework for differentiable programming of quantum computers. The library provides a unified architecture for near-term quantum computing devices, supporting both qubit and continuous-variable paradigms. PennyLane's core feature is the ability to compute gradients of variational quantum circuits in a way that is compatible with classical techniques such as backpropagation. PennyLane thus extends the automatic differentiation algorithms common in optimization and machine learning to include quantum and hybrid computations. A plugin system makes the framework compatible with any gate-based quantum simulator or hardware. We provide plugins for hardware providers including the Xanadu Cloud, Amazon Braket, and IBM Quantum, allowing PennyLane optimizations to be run on publicly accessible quantum devices. On the classical front, PennyLane interfaces with accelerated machine learning libraries such as TensorFlow, PyTorch, JAX, and Autograd. PennyLane can be used for the optimization of variational quantum eigensolvers, quantum approximate optimization, quantum machine learning models, and many other applications., Comment: Code available at https://github.com/XanaduAI/pennylane/ . Significant contributions to the code (new features, new plugins, etc.) will be recognized by the opportunity to be a co-author on this paper

Single electron transistors (SETs) fabricated from single-walled carbon nanotubes (SWNTs) can be operated as highly sensitive charge detectors reaching sensitivity levels comparable to metallic radio frequency SETs (rf-SETs). Here we demonstrate how the charge sensitivity of the device can be improved by using the mechanical oscillations of a single-walled carbon nanotube quantum dot. To optimize the charge sensitivity $\delta Q$, we drive the mechanical resonator far into the nonlinear regime and bias it to an operating point where the mechanical third order nonlinearity is cancelled out. This way we enhance $\delta Q$, from 6 $\mu e/\sqrt{\textrm{Hz}}$ for the static case, to 0.97 $\mu e/\sqrt{\textrm{Hz}}$, at a probe frequency of $\sim$ 1.3 kHz., Comment: 8 pages + 12 page supplement

Gunn (or Gunn-Hilsum) Effect and its associated negative differential resistivity (NDR) emanates from transfer of electrons between two different energy bands in a semiconductor. If applying a voltage (electric field) transfers electrons from an energy sub band of a low effective mass to a second one with higher effective mass, then the current drops. This manifests itself as a negative slope or NDR in the I-V characteristics of the device which is in essence due to the reduction of electron mobility. Recalling that mobility is inversely proportional to electron effective mass or curvature of the energy sub band. This effect was observed in semiconductors like GaAs which has direct bandgap of very low effective mass and its second indirect sub band is about 300 meV above the former. More importantly a self-repeating oscillation of spatially accumulated charge carriers along the transport direction occurs which is the artifact of NDR, a process which is called Gunn oscillation and was observed by J. B. Gunn. In sharp contrast to GaAs, bulk silicon has a very high energy spacing (~1 eV) which renders the initiation of transfer-induced NDR unobservable. Using Density Functional Theory (DFT), semi-empirical 10 orbital ($sp^{3}d^{5}s^{*}$) Tight Binding (TB) method and Ensemble Monte Carlo (EMC) simulations we show for the first time that (a) Gunn Effect can be induced in narrow silicon nanowires with diameters of 3.1 nm under 3 % tensile strain and an electric field of 5000 V/cm, (b) the onset of NDR in I-V characteristics is reversibly adjustable by strain and (c) strain can modulate the value of resistivity by a factor 2.3 for SiNWs of normal I-V characteristics i.e. those without NDR. These observations are promising for applications of SiNWs in electromechanical sensors and adjustable microwave oscillators., Comment: 18 pages, 6 figures, 63 references

Superconductivity is a result of quantum coherence at macroscopic scales. Two superconductors separated by a metallic or insulating weak link exhibit the AC Josephson effect - the conversion of a DC voltage bias into an AC supercurrent. This current may be used to activate mechanical oscillations in a suspended weak link. As the DC voltage bias condition is remarkably difficult to achieve in experiments, here we analyse theoretically how the Josephson effect can be exploited to activate and detect mechanical oscillations in the experimentally relevant condition with purely DC current bias. We unveil for the first time how changing the strength of the electromechanical coupling results in two qualitatively different regimes showing dramatic effects of the oscillations on the DC current-voltage characteristic of the device. These include the apperance of Shapiro-like plateaux for weak coupling and a sudden mechanically-induced retrapping for strong coupling. Our predictions, measurable in state of the art experimental setups, allow the determination of the frequency and quality factor of the resonator using DC only techniques., Comment: 10 pages, 6 figures

An increasing number of papers propose routes to implement thermal counterparts of electronic rectification. These schemes are mainly based on combinations of crystal anharmonicity and broken mirror symmetry. With respect to graphene, proposals pivot around shape asymmetry induced by using hetero-structures of nano-patterned or defected sections of pristine graphene. Using Molecular Dynamics (MD) we show that it suffices to split a graphene nano-ribbon into two unequal strained sections using external force which leads to large asymmetry in the forward and reverse heat fluxes. We find that the corresponding rectification ratio is enhanced by up to 60 %. Also, and more importantly, the polarity is controllable on-the-fly, i.e. by changing the position where force is applied. Based upon our results we propose a thermo-electric device which obviates the complex nano-patterning and lithography required to pattern graphene every time a new rectification value or sign is sought for, opening a route to simpler fabrication and characterization of phononic phenomena in 2D materials., Comment: 9 pages, 5 figures

By numerical integration, we study the relaxation dynamics of degenerate harmonic oscillator modes dispersively coupled to particle positions. Depending on whether the effective inertial potential induced by the oscillators keep the particles confined, or if the particle trajectories traverse the system, the local oscillator energy dissipation rate changes drastically. The inertial trapping, release and retrapping of particles results in a characteristic step-wise relaxation process, with alternating regions of fast and slow dissipation. To demonstrate this phenomenon we consider first a one-dimensional minimal prototype model which displays these characteristics. We then treat the effect of dispersive interaction in a model corresponding to an adsorbate diffusing on a circular membrane interacting with its three lowest vibrational modes. In the latter model, stepwise relaxation appears only in the presence of thermal noise, which also causes a slow-in-time stochastic precession of the mixing angle between the degenerate eigenmodes., Comment: 9 pages, 8 figures

Energy decay plays a central role in a wide range of phenomena, such as optical emission, nuclear fission, and dissipation in quantum systems. Energy decay is usually described as a system leaking energy irreversibly into an environmental bath. Here, we report on energy decay measurements in nanomechanical systems based on multi-layer graphene that cannot be explained by the paradigm of a system directly coupled to a bath. As the energy of a vibrational mode freely decays, the rate of energy decay switches abruptly to a lower value. This finding can be explained by a model where the measured mode hybridizes with other modes of the resonator at high energy. Below a threshold energy, modes are decoupled, resulting in comparatively low decay rates and giant quality factors exceeding 1 million. Our work opens up new possibilities to manipulate vibrational states, engineer hybrid states with mechanical modes at completely different frequencies, and to study the collective motion of this highly tunable system., Comment: 14 pages, 5 figures

We present an overview of the electrical, mechanical, and thermal properties of polycrystalline graphene. Most global properties of this material, such as the charge mobility, thermal conductivity, or Young's modulus, are sensitive to its microstructure, for instance the grain size and the presence of line or point defects. Both the local and global features of polycrystalline graphene have been investigated by a variety of simulations and experimental measurements. In this review, we summarize the properties of polycrystalline graphene, and by establishing a perspective on how the microstructure impacts its large-scale physical properties, we aim to provide guidance for further optimization and improvement of applications based on this material, such as flexible and wearable electronics, and high-frequency or spintronic devices., Comment: 14 pages, 7 figures. Accepted for publications in 2D Materials

The harmonic oscillator is one of the most widely used model systems in physics: an indispensable theoretical tool in a variety of fields. It is well known that otherwise linear oscillators can attain novel and nonlinear features through interaction with another dynamical system. We investigate such an interacting system: a superconducting LC-circuit dispersively coupled to a superconducting quantum interference device (SQUID). We find that the SQUID phase behaves as a classical two-level system, whose two states correspond to one linear and one nonlinear regime for the LC-resonator. As a result, the circuit's response to forcing can become multistable. The strength of the nonlinearity is tuned by the level of noise in the system, and increases with decreasing noise. This tunable nonlinearity could potentially find application in the field of sensitive detection, whereas increased understanding of the classical harmonic oscillator is relevant for studies of the quantum-to-classical crossover of Jaynes-Cummings systems., Comment: 8 pages, 8 figures

When a contaminant diffuses on the surface of a nanomechanical resonator, the motions of the two become correlated. Despite being a high-order effect in the resonator-particle coupling, such correlations affect the system dynamics by inducing dissipation of the resonator energy. Here, we consider this diffusion-induced dissipation in the cases of multiple particles adsorbed on carbon nanotube and graphene resonators. By solving the stochastic equations of motion, we simulate the ringdown of the resonator, in order to determine the resonator energy decay rate. We find two different scalings with the number of adsorbed particles $K$ and particle mass $m$. In the regime where the adsorbates are inertially trapped at an antinode of vibration, the dissipation rate $\Gamma$ scales with the total adsorbed mass $\Gamma\propto Km$. In contrast, in the regime where particles diffuse freely over the resonator, the dissipation rate scales as the product of the total adsorbed mass and the individual particle mass: $\Gamma\propto Km^2$., Comment: 6 pages, 5 figures

We have developed capacitively-transduced nanomechanical resonators using sp$^2$-rich diamond-like carbon (DLC) thin films as conducting membranes. The electrically conducting DLC films were grown by physical vapor deposition at a temperature of $500{\,\,}^\circ$C. Characterizing the resonant response, we find a larger than expected frequency tuning that we attribute to the membrane being buckled upwards, away from the bottom electrode. The possibility of using buckled resonators to increase frequency tuning can be of advantage in rf applications such as tunable GHz filters and voltage-controlled oscillators., Comment: 5 + 4 pages, 3 + 4 figures

We report results on multiband observations from radio to gamma-rays of the two radio-loud narrow-line Seyfert 1 (NLSy1) galaxies PKS 2004-447 and J1548+3511. Both sources show a core-jet structure on parsec scale, while they are unresolved at the arcsecond scale. The high core dominance and the high variability brightness temperature make these NLSy1 galaxies good gamma-ray source candidates. Fermi-LAT detected gamma-ray emission only from PKS 2004-447, with a gamma-ray luminosity comparable to that observed in blazars. No gamma-ray emission is observed for J1548+3511. Both sources are variable in X-rays. J1548+3511 shows a hardening of the spectrum during high activity states, while PKS 2004-447 has no spectral variability. A spectral steepening likely related to the soft excess is hinted below 2 keV for J1548+3511, while the X-ray spectra of PKS 2004-447 collected by XMM-Newton in 2012 are described by a single power-law without significant soft excess. No additional absorption above the Galactic column density or the presence of an Fe line is detected in the X-ray spectra of both sources., Comment: 16 pages, 8 figures, accepted for publication in MNRAS

Graphene grain boundaries are known to affect phonon transport and thermal conductivity, suggesting that they may be used to engineer the phononic properties of graphene. Here, the effect of two buckled grain boundaries on long-wavelength flexural acoustic phonons has been investigated as a function of angle of incidence using molecular dynamics. The flexural acoustic mode has been chosen due to its importance to thermal transport. It is found that the transmission through the boundaries is strongly suppressed for incidence angles close to 35$^\circ$. Also, the grain boundaries are found to act as diffraction gratings for the phonons.

We study the asymptotic entanglement of two quantum harmonic oscillators nonlinearly coupled to an environment. Coupling to independent baths and a common bath are investigated. Numerical results obtained using the Wangsness-Bloch-Redfield method are supplemented by analytical results in the rotating wave approximation. The asymptotic negativity as function of temperature, initial squeezing and coupling strength, is compared to results for systems with linear system-reservoir coupling. We find that due to the parity conserving nature of the coupling, the asymptotic entanglement is considerably more robust than for the linearly damped cases. In contrast to linearly damped systems, the asymptotic behavior of entanglement is similar for the two bath configurations in the nonlinearly damped case. This is due to the two-phonon system-bath exchange causing a supression of information exchange between the oscillators via the bath in the common bath configuration at low temperatures., Comment: 9 pages, 5 figures, revtex

We study a system consisting of a particle adsorbed on a carbon nanotube resonator. The particle is allowed to diffuse along the resonator, in order to enable study of e.g. room temperature mass sensing devices. The system is initialized in a state where only the fundamental vibration mode is excited, and the ring-down of the system is studied by numerically and analytically solving the stochastic equations of motion. We find two mechanisms of dissipation, induced by the diffusing adsorbate. First, short-time correlations between particle and resonator motions means that the net effect of the former on the latter does not average out, but instead causes dissipation of vibrational energy. For vibrational amplitudes that are much larger than the thermal energy this dissipation is linear; for small amplitudes the decay takes the same form as that of a nonlinearly damped oscillator. Second, the particle diffusion mediates a coupling between vibration modes, enabling energy transfer from the fundamental mode to excited modes, which rapidly reach thermal equilibrium., Comment: 8 pages, 7 figures

We investigate the scattering of long-wavelength flexural phonons against grain boundaries in graphene using molecular dynamics simulations. Three symmetric tilt grain boundaires are considered: one with a misorientation angle of $17.9^\circ$ displaying an out-of-plane buckling 1.5 nm high and 5 nm wide, one with a misorientation angle of $9.4^\circ$ and an out-of-plane buckling 0.6 nm high and 1.7 nm wide, and one with a misorientation angle of $32.2^\circ$ and no out-of-plane buckling. At the flat grain boundary, the phonon transmission exceeds 95 % for wavelengths above 1 nm. The buckled boundaries have a substantially lower transmission in this wavelength range, with a minimum transmission of 20 % for the $17.9^\circ$ boundary and 40 % for the $9.4^\circ$ boundary. At the buckled boundaries, coupling between flexural and longitudinal phonon modes is also observed. The results indicate that scattering of long-wavelength flexural phonons at grain boundaries in graphene is mainly due to out-of-plane buckling. A continuum mechanical model of the scattering process has been developed, providing a deeper understanding of the scattering process as well as a way to calculate the effect of a grain boundary on long-wavelength flexural phonons based on the buckling size., Comment: 11 pages, 14 figures

Phononic crystals and acoustic meta-materials are used to tailor phonon and sound propagation properties by facilitating artificial, periodic structures. Analogous to photonic crystals, phononic band gaps can be created, which influence wave propagation and, more generally, allow engineering of the acoustic properties of a system. Beyond that, nonlinear phenomena in periodic structures have been extensively studied in photonic crystals and atomic Bose-Einstein Condensates in optical lattices. However, creating nonlinear phononic crystals or nonlinear acoustic meta-materials remains challenging and only few examples have been demonstrated. Here we show that atomically thin and periodically pinned membranes support coupled localized modes with nonlinear dynamics. The proposed system provides a platform for investigating nonlinear phononics.

Thermalization in nonlinear systems is a central concept in statistical mechanics and has been extensively studied theoretically since the seminal work of Fermi, Pasta and Ulam (FPU). Using molecular dynamics and continuum modeling of a ring-down setup, we show that thermalization due to nonlinear mode coupling intrinsically limits the quality factor of nanomechanical graphene drums and turns them into potential test beds for FPU physics. We find the thermalization rate $\Gamma$ to be independent of radius and scaling as $\Gamma\sim T^*/\epsilon_{{\rm pre}}^2$, where $T^*$ and $\epsilon_{{\rm pre}}$ are effective resonator temperature and prestrain.

The quantum dynamics of two weakly coupled nonlinear oscillators is analytically and numerically investigated in the context of nonlinear dissipation. The latter facilitates the creation and preservation of non-classical steady states. Starting from a microscopic description of two oscillators individually interacting with their dissipative environments, it is found that in addition to energy relaxation, dephasing arises due to the mutual coupling. Using the negativity as an entanglement measure, it is shown that the coupling entangles the oscillators in the long-time limit. For finite temperatures, entanglement sudden death and rebirth are observed., Comment: 4.5 pages, 3 figures; minor revisions, accepted for publication in PRA

We study circular nanomechanical graphene resonators by means of continuum elasticity theory, treating them as membranes. We derive dynamic equations for the flexural mode amplitudes. Due to geometrical nonlinearity these can be modeled by coupled Duffing equations. By solving the Airy stress problem we obtain analytic expressions for eigenfrequencies and nonlinear coefficients as functions of radius, suspension height, initial tension, back-gate voltage and elastic constants, which we compare with finite element simulations. Using perturbation theory, we show that it is necessary to include the effects of the non-uniform stress distribution for finite deflections. This correctly reproduces the spectrum and frequency tuning of the resonator, including frequency crossings., Comment: 21 pages, 7 figures, 3 tables