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Chemical vapor deposition (CVD) is a crucial technique to prepare high-quality graphene because of its controllability. In the research, we perform a systematic computational fluid dynamics numerical investigation on the effect of gas-phase reaction dynamics on the graphene growth in a horizontal tube CVD reactor. The research results indicate that the gas-phase chemical reactions in the CVD reactor are in a nonequilibrium state, as evidenced by the comparison of species mole fraction distributions during the CVD process and under chemical equilibrium conditions. The effect of gas-phase reaction dynamics on the deposition rate of graphene under different conditions is studied, and our research shows that the main causes of change in graphene growth rates under different conditions are gas-phase reaction dynamics and active species transport. The results of numerical simulation agree well with the experimental phenomena. The research results also indicate that, for methane, the main limiting factor of graphene growth is the surface kinetic reaction rate. Conversely, for active species, the main limiting factor of graphene growth is species transport. Our research suggests that the growth rate of graphene can be regulated from the perspective of the gas reaction mechanism. This method has theoretical guiding significance and can be extended to the preparation of large-area graphene. [ABSTRACT FROM AUTHOR]

We propose a trajectory-based quasi-classical method for approximating dynamics in condensed phase systems. Building upon the previously developed optimized mean trajectory approximation that has been used to compute linear and nonlinear spectra, we borrow some ideas from filtering trajectory methods to obtain a novel semiclassical method for the dynamical propagation of density matrices. This new approximation is tested rigorously against standard multistate electronic models, spin-boson models, and models of the Fenna-Matthews-Olson complex. For dissipative systems, the current method is significantly better or as good as many other semiclassical methods available, especially at low temperatures and for off-diagonal density matrix elements, whereas for scattering models, the current method bears similar limitations as mean-field propagation schemes. All results are tested against the numerically exact hierarchical equations of motion method. The new method shows excellent agreement across various parameter regimes with numerically exact results, highlighting the robustness and accuracy of our approach., (© 2024 Author(s). Published under an exclusive license by AIP Publishing.)

Real-time detection of intermediate species and final products at the surface and near-surface in interfacial solid-gas reactions is critical for an accurate understanding of heterogeneous reaction mechanisms. In this article, an experimental method that can simultaneously monitor the ultrafast dynamics at the surface and above the surface in photoinduced heterogeneous reactions is presented. This method relies on a combination of mass spectrometry and femtosecond pump-probe spectroscopy. As a model system, the photoinduced reaction of methyl iodide on and above a cerium oxide surface is investigated. The species that are simultaneously detected from the surface and gas-phase present distinct features in the mass spectra, such as a sharp peak followed by an adjacent broad shoulder. The sharp peak is attributed to the species detected from the surface, while the broad shoulder is due to the detection of gas-phase species above the surface, as confirmed by multiple experiments. By monitoring the evolution of the sharp peak and broad shoulder as a function of the pump-probe time delay, transient signals are obtained that describe the ultrafast photoinduced reaction dynamics of methyl iodide on the surface and in the gas-phase. Finally, SimION simulations are performed to confirm the origin of the ions produced on the surface and in the gas-phase., (© 2024 Author(s). Published under an exclusive license by AIP Publishing.)

By measuring the current–voltage characteristics and the switching current distributions as a function of temperature, we have investigated the phase dynamics of Al tunnel ferromagnetic Josephson junctions (JJs), designed to fall in the typical range of parameters of state-of-the-art transmons, providing evidence of phase diffusion processes. The comparison with the experimental outcomes on non-magnetic JJs with nominally the same electrodynamical parameters demonstrates that the introduction of ferromagnetic barriers does not cause any sizeable detrimental effect and supports the notion of including tunnel ferromagnetic JJs in qubit architectures. [ABSTRACT FROM AUTHOR]

The third-order response lies at the heart of simulating and interpreting nonlinear spectroscopies ranging from two-dimensional infrared (2D-IR) to 2D electronic (2D-ES), and 2D sum frequency generation (2D-SFG). The extra time and frequency dimensions in these spectroscopic techniques provide access to rich information on the electronic and vibrational states present, the coupling between them, and the resulting rates at which they exchange energy that are obscured in linear spectroscopy, particularly for condensed phase systems that usually contain many overlapping features. While the exact quantum expression for the third-order response is well established, it is incompatible with the methods that are practical for calculating the atomistic dynamics of large condensed phase systems. These methods, which include both classical mechanics and quantum dynamics methods that retain quantum statistical properties while obeying the symmetries of classical dynamics, such as LSC-IVR, centroid molecular dynamics, and Ring Polymer Molecular Dynamics (RPMD), naturally provide short-time approximations to the multi-time symmetrized Kubo transformed correlation function. Here, we show how the third-order response can be formulated in terms of equilibrium symmetrized Kubo transformed correlation functions. We demonstrate the utility and accuracy of our approach by showing how it can be used to obtain the third-order response of a series of model systems using both classical dynamics and RPMD. In particular, we show that this approach captures features such as anharmonically induced vertical splittings and peak shifts while providing a physically transparent framework for understanding multidimensional spectroscopies. [ABSTRACT FROM AUTHOR]

Preparation of neutral non-volatile molecules intact in the gas phase for mass spectrometry or chemical dynamics experiments remains a challenge for many classes of molecules. Here, we report the design and characterization of a fiber-coupled laser-based thermal desorption source capable of preparing intact neutral molecules at high molecular densities in the gas phase for use in velocity-map imaging experiments. Within this source, the sample is deposited onto a thin tantalum foil. Irradiation of the foil from the reverse side by a focused laser beam leads to highly localized heating of the sample, resulting in desorption of a plume of molecules into the gas phase. The fiber-coupled design simplifies the alignment of the desorption laser beam, and the ability to rotate the foil relative to the fixed laser beam allows the sample to be continually refreshed under vacuum. We use 118 nm photoionization of three test molecules-uracil, adenine, and phenylalanine-to characterize the source and to demonstrate various aspects of its performance. These include the dependence of the velocity-map imaging performance on the size of the interaction region and the dependence of the laser-induced desorption source emission on desorption laser power and heating time. Signal levels recorded in these measurements are comparable to those we typically obtain in similar experiments using a pulsed supersonic molecular beam, and we, therefore, believe that the source has considerable potential for use in a wide range of chemical dynamics and other experiments., (© 2023 Author(s). All article content, except where otherwise noted, is licensed under a Creative Commons Attribution (CC BY) license (http://creativecommons.org/licenses/by/4.0/).)

We present a simple model for a patch antenna based on metamaterial concepts operating in the microwave region with a bandwidth of 1.9-2.6 GHz. The small size and the relatively large operational band make this device exploitable for electromagnetic energy harvesting in urban environments. Describing the antenna by an equivalent circuit composed of a transmission line having right/left hand properties with a RC load, we can properly account for the phase dynamics in correspondence of resonances characterized by a specific handedness. The model is validated measuring the response of the reflection scattering parameter S1,1 for a copper prototype fabricated on a FR4 printed circuit board. [ABSTRACT FROM AUTHOR]

The two-step quench process of surface-directed spinodal decomposition is numerically investigated by coupling the Flory–Huggins–de Gennes equation with the Cahn–Hilliard–Cook equation. The phase dynamics and formation mechanisms of the wetting layer in two-step surface-directed spinodal decomposition have been concerned in detail. The results demonstrate that a parallel strip structure forms near the wetting layer and propagates into the bulk, when the first quench depth is very shallow and the bulk does not undergo phase separation, and the second quench depths are various points with deeper quench depths. In this case, the wetting layer turns to be unchangeable at the intermediate and later stages of the second quench process, compared to the growth with a time exponent 1/2 during the first quench process. When the first quench depth is deeper and phase separation occurs in the bulk during the first quench process, it is found that a deeper second quench depth can stimulate a more obvious secondary domain structure, and the formation mechanism of the wetting layer changes from logarithmic growth law to Lifshitz–Slyozov growth law. [ABSTRACT FROM AUTHOR]

We investigate the quantum-phase dynamics of a dissipative molecular system interacting with a single-mode amplitude-squeezed field (with a sub-Poissonian photon-number distribution) using the Monte Carlo wave-function method. As quantum dissipation, we consider molecular coherent (phase) and population relaxations, which are caused by nuclear vibration, and cavity relaxation (the dissipation of an internal single mode to outer mode). In this study, we elucidate the effects of these dissipations on the unique quantum dynamical behaviors of this coupled system, e.g., collapse-revival behavior of Rabi oscillations, using the quasiprobability (Q function) distribution of a single-mode field and the off-diagonal molecular density matrix. It is found that although the amplitude-squeezed field exhibits a distinct revival with larger amplitudes of molecular population in the presence of the molecular phase and population relaxations as compared to the coherent field, a very slight cavity relaxation suppresses the revival of molecular population and the increase in the magnitude of off-diagonal molecular density matrices during the quiescent region in the amplitude-squeezed field case more significantly than in the coherent field case. These features are shown to be closely related to the difference in the dynamics of Q function distributions between amplitude-squeezed and coherent fields. © 2003 American Institute of Physics. [ABSTRACT FROM AUTHOR]

time dependent thermal model for a superconducting constriction based weak-link (WL) is discussed for investigating the deterministic dynamics of its temperature and phase. A new dynamic regime is found where a non-zero voltage exists across the WL, and its temperature stabilizes between the bath temperature and superconductor's critical temperature. This regime exists over a limited bias current range and gives rise to a new hysteretic regime in current-voltage characteristics. We also discuss the effect of fluctuations on the current-voltage characteristics and experimental implications of this dynamic regime. [ABSTRACT FROM AUTHOR]

Analyzes the Fiske resonance of one-dimensional parallel arrays of underdamped Josephson tunnel junctions. Appearance in current voltage characteristics as resonant current singularities; Application of magnetic fields to array cells; Measurements of current step amplitudes; Numerical simulations of the phase dynamics in small parallel arrays.

We have studied both theoretically and experimentally how an LC series circuit connected in parallel to a Josephson junction influences the Josephson dynamics. The presence of the shell circuit introduces two energy scales, which in specific cases, can strongly differ from the plasma frequency of the isolated junction. Josephson junctions were manufactured using the Nb/Al-AlOx/Nb fabrication technology with various on-chip LC shunt circuits. Spectroscopic measurements in the quantum limit show excellent agreement with theory taking into account the shunt inductance and capacitance in the resistively and capacitively shunted junction model. The results clearly show that the dynamics of the system are two-dimensional, resulting in two resonant modes of the system. These findings have important implications for the design and operation of Josephson junction based quantum bits. [ABSTRACT FROM AUTHOR]

We report a systematic study of the transport properties of high critical temperature superconductor (HTS) biepitaxial Josephson junctions in the submicron range. Junction performances point to more uniform and reproducible devices and to better control of d-wave intrinsic properties. Outcomes promote novel insights into the transport mechanisms across grain boundaries and encourage further developments in the control of dissipation in HTS devices. The application of nanotechnology to HTS could be an additional tool to properly engineer the junction properties to match specific circuit design also in view of the integration into hybrid quantum circuits. [ABSTRACT FROM AUTHOR]

The approximate quantum mechanical ring polymer molecular dynamics (RPMD) and linearized semiclassical initial value representation (LSC-IVR) methods are compared and contrasted in a study of the dynamics of the flexible q-TIP4P/F water model at room temperature. For this water model, a RPMD simulation gives a diffusion coefficient that is only a few percent larger than the classical diffusion coefficient, whereas a LSC-IVR simulation gives a diffusion coefficient that is three times larger. We attribute this discrepancy to the unphysical leakage of initially quantized zero point energy (ZPE) from the intramolecular to the intermolecular modes of the liquid as the LSC-IVR simulation progresses. In spite of this problem, which is avoided by construction in RPMD, the LSC-IVR may still provide a useful approximation to certain short-time dynamical properties which are not so strongly affected by the ZPE leakage. We illustrate this with an application to the liquid water dipole absorption spectrum, for which the RPMD approximation breaks down at frequencies in the O–H stretching region owing to contamination from the internal modes of the ring polymer. The LSC-IVR does not suffer from this difficulty and it appears to provide quite a promising way to calculate condensed phase vibrational spectra. [ABSTRACT FROM AUTHOR]

We investigate the intermolecular-interaction (dipole-dipole interaction) effects on the quantum dynamics of dimer density matrices and photon-phase distributions using several dimer models with different intermolecular distances in the presence of a two-mode squeezed vacuum field. In this photon field, each mode is initially correlated and the reduced one-mode photon distribution is equivalent with that of a thermal field. For comparison, we perform parallel studies, in which the initial fields are two types of noncorrelated two-mode fields, i.e., a two-mode coherent field and a two-mode thermal field. It is found that although the two-mode squeezed vacuum field causes the random oscillations of dimer populations in the noninteracting dimer, the periodic oscillations like the collapse-revival behavior emerge as the intermolecular distance decreases (the intermolecular interaction increases). Similar and dissimilar features among quantum dynamics caused by these three types of fields are investigated by analyzing the dynamical behavior of two-mode PeggBarnett photon-phase distributions and off-diagonal dimer density matrices, which indicate the coherency between dimer states. In addition to the quantum statistical properties of initial photon field, the change in the degree of contribution between one- and two-photon processes caused by the intermolecular interaction is found to be important to determine these features. [ABSTRACT FROM AUTHOR]

It is well-known that the interaction among atoms/molecules and quantized electromagnetic fields with a small number of photons provides a peculiar quantum nature, i.e., collapses and revivals in the Rabi oscillations. In this study, we investigate the intermolecular interaction (dipole-dipole interaction) effect on the collapse-revival behavior using several dimer models (composed of two kinds of two-state monomers with slightly different excitation energies) with different intermolecular distances in the presence of a two-mode squeezed coherent field, in which each mode is initially correlated. It is found that although the collapse-revival behavior is fairly overlapped and indistinct in the case of a noninteracting dimer under the present two-mode squeezed coherent field, the decrease in the intermolecular distance (the increase in the intermolecular interaction) resurrects relatively distinct collapse-revival behavior with longer collapse and revival times. By analyzing the quantum behavior from the viewpoint of the dynamics of two-mode Pegg-Barnett photon-phase distributions and off-diagonal dimer density matrices, this feature is found to closely relate to a significant change in the degree of contribution between one- and two-photon processes caused by the variation in the intermolecular interaction. [ABSTRACT FROM AUTHOR]

We present a brief discussion of the phase-coherent dynamics of discrete breathers (intrinsic localized modes) in a system of two weakly coupled nonlinear chains and its comparison with periodic tunneling of quantum particles in a double-well potential and with macroscopic quantum tunneling of two weakly linked Bose–Einstein condensates. We consider the dynamics of relative phase of classically-tunneling discrete breathers in two weakly coupled nonlinear chains and show that the dynamics of the relative phase in the π/2 tunneling mode coincides with the experimentally observed dynamics of the relative phase of quantum particles, periodically tunneling in a double-well potential, both for noninteracting and strongly repulsively interacting particles. The observed coincidence demonstrates the correspondence between the dynamics of classical localized excitations in two weakly coupled nonlinear chains and tunneling dynamics of quantum object in the double-well potential. We show that in both π/2 and winding tunneling modes the relative phase experiences periodic jumps by π in the instants of complete depopulation of one of the weakly coupled chains or potential wells. The connection of the observed phase dynamics with the non-quantum uncertainty principle is discussed. [ABSTRACT FROM AUTHOR]

Picosecond transient grating experiments in sodium and iodine vapors, involving the 3S→3P and X→B transitions, respectively, are discussed in detail. Population gratings in sodium demonstrate that the technique can be used to measure velocity distributions in the gas phase. It is shown that the time dependent transient grating signal is related to the Fourier transform of the velocity distribution. Similar experiments on iodine illustrate the effect of state changing collisions on the grating signal. Theoretical calculations for a model in which the change of state is caused by a single collision are given. Close agreement with the data is observed for the situation in which the collision takes the initial velocity into a random velocity distribution. From this model a collision cross section is determined. The results demonstrate that information on collision dynamics can be obtained from grating experiments. In addition, the sodium experiments are used to illustrate a new type of time domain high resolution spectroscopy. When the grating excitation pulses have perpendicular polarizations, a polarization grating, rather than the usual population grating, is formed. Diffraction from the sodium polarization grating shows larger time dependent oscillations in the diffraction efficiency. These oscillations yield the ground state and excited state hyperfine frequencies (1.77 GHz and 189 MHz, respectively). A detailed theoretical description of the origin of the oscillations is presented. The results suggest that polarization grating spectroscopy can have applications in other areas, such as molecular rotational dynamics. [ABSTRACT FROM AUTHOR]

Collective synchronous motion of the phases is introduced in a model for the stochastic passive advection-diffusion of a scalar with external forcing. The model for the phase coupling dynamics follows the well known Kuramoto model paradigm of limit-cycle oscillators. The natural frequencies in the Kuramoto model are assumed to obey a given scale dependence through a dispersion relation of the drift-wave form -β k/1+k2, where β is a constant representing the typical strength of the gradient. The present aim is to study the importance of collective phase dynamics on the characteristic time evolution of the fluctuation energy and the formation of coherent structures. Our results show that the assumption of a fully stochastic phase state of turbulence is more relevant for high values of β, where we find that the energy spectrum follows a k-7/2 scaling. Whereas for lower β there is a significant difference between a-synchronised and synchronised phase states, one could expect the formation of coherent modulations in the latter case. [ABSTRACT FROM AUTHOR]

We generalize our recent approach to the reconstruction of phase dynamics of coupled oscillators from data [B. Kralemann et al., Phys. Rev. E 77, 066205 (2008)] to cover the case of small networks of coupled periodic units. Starting from a multivariate time series, we first reconstruct genuine phases and then obtain the coupling functions in terms of these phases. Partial norms of these coupling functions quantify directed coupling between oscillators. We illustrate the method by different network motifs for three coupled oscillators and for random networks of five and nine units. We also discuss nonlinear effects in coupling. [ABSTRACT FROM AUTHOR]

An effective white-noise Langevin equation is derived that describes long-time phase dynamics of a limit-cycle oscillator driven by weak stationary colored noise. Effective drift and diffusion coefficients are given in terms of the phase sensitivity of the oscillator and the correlation function of the noise, and are explicitly calculated for oscillators with sinusoidal phase sensitivity functions driven by two typical colored Gaussian processes. The results are verified by numerical simulations using several types of stochastic or chaotic noise. The drift and diffusion coefficients of oscillators driven by chaotic noise exhibit anomalous dependence on the oscillator frequency, reflecting the peculiar power spectrum of the chaotic noise. [ABSTRACT FROM AUTHOR]

Synaptically coupled neurons show in-phase or antiphase synchrony depending on the chemical and dynamical nature of the synapse. Deterministic theory helps predict the phase differences between two phase-locked oscillators when the coupling is weak. In the presence of noise, however, deterministic theory faces difficulty when the coexistence of multiple stable oscillatory solutions occurs. We analyze the solution structure of two coupled neuronal oscillators for parameter values between a subcritical Hopf bifurcation point and a saddle node point of the periodic branch that bifurcates from the Hopf point, where a rich variety of coexisting solutions including asymmetric localized oscillations occurs. We construct these solutions via a multiscale analysis and explore the general bifurcation scenario using the λ-ω model. We show for both excitatory and inhibitory synapses that noise causes important changes in the phase and amplitude dynamics of such coupled neuronal oscillators when multiple oscillatory solutions coexist. Mixed-mode oscillations occur when distinct bistable solutions are randomly visited. The phase difference between the coupled oscillators in the localized solution, coexisting with in-phase or antiphase solutions, is clearly represented in the stochastic phase dynamics. [ABSTRACT FROM AUTHOR]

The problem of determining directional coupling between neuronal oscillators from their time series is addressed. We compare performance of the two well-established approaches: partial directed coherence and phase dynamics modeling. They represent linear and nonlinear time series analysis techniques, respectively. In numerical experiments, we found each of them to be applicable and superior under appropriate conditions: The latter technique is superior if the observed behavior is “closer” to limit-cycle dynamics, the former is better in cases that are closer to linear stochastic processes. [ABSTRACT FROM AUTHOR]

We demonstrate in numerical experiments that estimators of strength and directionality of coupling between oscillators based on modeling of their phase dynamics [D. A. Smirnov and B. P. Bezruchko, Phys. Rev. E 68, 046209 (2003)] are widely applicable. Namely, although the expressions for the estimators and their confidence bands are derived for linear uncoupled oscillators under the influence of independent sources of Gaussian white noise, they turn out to allow reliable characterization of coupling from relatively short time series for different properties of noise, significant phase nonlinearity of the oscillators, and nonvanishing coupling between them. We apply the estimators to analyze a two-channel human intracranial epileptic electroencephalogram (EEG) recording with the purpose of epileptic focus localization. [ABSTRACT FROM AUTHOR]

The phase dynamics of flows in the Taylor–Couette system have been studied by applying a forced modulation to the upper boundary of a large aspect ratio concentric cylinder system. In a one phase variable case, the Taylor vortex flow, the perturbations diffuse along the axial direction and the pattern’s response is well described by a simple diffusion model. In a two phase variable case, the wavy vortex flow, the perturbations either propagate as traveling waves or diffuse, depending on the coupling between the axial and azimuthal phase variables. In the turbulent Taylor vortex flow, where spatial coherence coexists with the turbulent flow, the phase dynamics of the coherent structure are described by a diffusion model with a diffusion coefficient an order of magnitude larger than for the laminar Taylor vortex flow. [ABSTRACT FROM AUTHOR]

The two-step quench process of surface-directed spinodal decomposition is numerically investigated by coupling the Flory-Huggins-de Gennes equation with the Cahn-Hilliard-Cook equation. The phase dynamics and formation mechanisms of the wetting layer in two-step surface-directed spinodal decomposition have been concerned in detail. The results demonstrate that a parallel strip structure forms near the wetting layer and propagates into the bulk, when the first quench depth is very shallow and the bulk does not undergo phase separation, and the second quench depths are various points with deeper quench depths. In this case, the wetting layer turns to be unchangeable at the intermediate and later stages of the second quench process, compared to the growth with a time exponent 1/2 during the first quench process. When the first quench depth is deeper and phase separation occurs in the bulk during the first quench process, it is found that a deeper second quench depth can stimulate a more obvious secondary domain structure, and the formation mechanism of the wetting layer changes from logarithmic growth law to Lifshitz-Slyozov growth law.

Synaptically coupled neurons show in-phase or antiphase synchrony depending on the chemical and dynamical nature of the synapse. Deterministic theory helps predict the phase differences between two phase-locked oscillators when the coupling is weak. In the presence of noise, however, deterministic theory faces difficulty when the coexistence of multiple stable oscillatory solutions occurs. We analyze the solution structure of two coupled neuronal oscillators for parameter values between a subcritical Hopf bifurcation point and a saddle node point of the periodic branch that bifurcates from the Hopf point, where a rich variety of coexisting solutions including asymmetric localized oscillations occurs. We construct these solutions via a multiscale analysis and explore the general bifurcation scenario using the lambda-omega model. We show for both excitatory and inhibitory synapses that noise causes important changes in the phase and amplitude dynamics of such coupled neuronal oscillators when multiple oscillatory solutions coexist. Mixed-mode oscillations occur when distinct bistable solutions are randomly visited. The phase difference between the coupled oscillators in the localized solution, coexisting with in-phase or antiphase solutions, is clearly represented in the stochastic phase dynamics.

Examines the phase dynamics of Karman vortices in cylinder wakes. Formulation of the spanwise Ginzburg-Landau model; Determination of the model constants from wave number shock experiments; Wave number expansion fans.

The gain and phase dynamics of InAs/GaAs quantum dot amplifiers are studied using single and two-color heterodyne pump probe spectroscopy. The relaxation of the wetting layer carrier density is shown to have a strong effect on the phase dynamics of both ground and excited state transients, while having a much weaker effect on the gain dynamics. In addition, the dynamical alpha factor may also display a constant value after an initial transient. Such behavior is strongly encouraging for reduced pattern effect operation in high speed optical networks. [ABSTRACT FROM AUTHOR]

Low-energy and high-energy collision induced dissociation techniques are used to study the dissociation behavior of the gaseous Pt(CN)[sub 6][sup 2-] and Pt(CN)[sub 4][sup 2-] dianion complexes in order to probe the smallest stable dianion complex. Loss of neutral molecules from Pt(CN)[sub 6][sup 2-] occurs resulting in Pt(CN)[sub 5][sup 2-] and Pt(CN)[sub 4][sup 2-], but no indication of the existence of Pt(CN)[sub 3][sup 2-] was found. This indicates that the lifetime of Pt(CN)[sub 3][sup 2-] is less than 4 μs (the flight time from the collision region to the detector). In contrast, all monoanion platinum-cyanide complexes were observed, i.e., Pt(CN)[sub n][sup -] (n=1-6). The kinetic energy released in processes where monoanions are formed is much lower than the barrier height for the reverse reaction (>1.5 eV), which indicates that electron detachment is involved, e.g., Pt(CN)[sub 3][sup -] and CN[sup -] are not formed in the same dynamical process from Pt(CN)[sub 4][sup 2-], or that the dynamics of the dissociation process is slow. For comparison, the Ru(bipy)[sub 3][sup 2+*]→[Ru(bipy)[sub 2]-H][sup +]+bipyH[sup +] reaction is associated with a kinetic-energy release of ∼0.3 eV (bipy=2,2[sup ′]-bipyridine). © 2000 American Institute of Physics. [ABSTRACT FROM AUTHOR]

This study presents the detailed characterization of a magnetron-based Ar–N2 plasma discharge used to sputter a liquid Ga target for the deposition of gallium nitride (GaN) thin films. By utilizing in situ diagnostic techniques including optical emission spectroscopy and microwave interferometry, we determine different temperatures (rotational and vibrational of N2 molecules, and electronic excitation of Ar atoms) and electron density, respectively. Beyond providing insights into fundamental plasma physics, our research establishes a significant correlation between gas-phase dynamics, particularly those of gallium atoms (flux and average energy at the substrate) and deposited GaN thin film properties (growth rate and crystalline fraction). These findings underscore the role of plasma conditions in enhancing thin film quality, highlighting the importance of plasma characterization in understanding and optimizing GaN thin film growth processes. [ABSTRACT FROM AUTHOR]

The Structure and TOpology Replica Molecular Mechanics (STORMM) code is a next-generation molecular simulation engine and associated libraries optimized for performance on fast, vectorized central processor units and graphics processing units (GPUs) with independent memory and tens of thousands of threads. STORMM is built to run thousands of independent molecular mechanical calculations on a single GPU with novel implementations that tune numerical precision, mathematical operations, and scarce on-chip memory resources to optimize throughput. The libraries are built around accessible classes with detailed documentation, supporting fine-grained parallelism and algorithm development as well as copying or swapping groups of systems on and off of the GPU. A primary intention of the STORMM libraries is to provide developers of atomic simulation methods with access to a high-performance molecular mechanics engine with extensive facilities to prototype and develop bespoke tools aimed toward drug discovery applications. In its present state, STORMM delivers molecular dynamics simulations of small molecules and small proteins in implicit solvent with tens to hundreds of times the throughput of conventional codes. The engineering paradigm transforms two of the most memory bandwidth-intensive aspects of condensed-phase dynamics, particle–mesh mapping, and valence interactions, into compute-bound problems for several times the scalability of existing programs. Numerical methods for compressing and streamlining the information present in stored coordinates and lookup tables are also presented, delivering improved accuracy over methods implemented in other molecular dynamics engines. The open-source code is released under the MIT license. [ABSTRACT FROM AUTHOR]

Chemical vapor deposition (CVD) is an affordable method for the preparation of large-scale and high-quality graphene. With the increase in CVD reactor size, gas mass transfer, flow state, and gas phase dynamics become more complicated. In this study, computational fluid dynamics is used to investigate factors affecting the uniformity of large-scale graphene growth under different growth conditions and reactor configurations. The dimensionless number defined in this paper and the Grashof number are utilized to distinguish the species transfer patterns and the flow states, respectively. A gas-surface dynamics model is established to simulate the graphene growth. Results reveal that the graphene growth rate uniformity is the highest at very low pressure and flow rate due to the flow symmetry and diffusion-dominated species transfer. At an increased pressure of 20 Torr, the uniformity of the graphene growth rate becomes higher axially and lower circumferentially with an increasing inlet mass flow rate. When the flow rate is fixed at 1500 SCCM and pressure is reduced from 20 to 2 Torr, graphene growth uniformity first increases and then decreases due to the influence of gas phase dynamics. Graphene growth rates are analyzed across ordinary reactor configurations and four configurations with inner tubes at 20 Torr pressure and 1500 SCCM flow rate. Comprehensive evaluation suggests that the ordinary reactor configuration performs best under these conditions. This research offers insights into the macroscopic growth mechanism of large-scale graphene and provides guidance for designing growth conditions in large-area graphene production. [ABSTRACT FROM AUTHOR]

Ultrafast phase dynamics of free-induction decay for carriers in bulk GaAs is studied with differential-phase spectroscopy. The instantaneous phase shifts of the free-induction decay with respect to the excitation pulses are extracted from simultaneously recorded laser pulse autocorrelation and free-induction decay in GaAs. Ultrafast phase dynamics during and immediately after the femtosecond pulse excitation are numerically evaluated with optical Bloch equations using pump pulse and semiconductor exciton parameters as input. Good agreement of the theory with experiment is obtained. © 1998 American Institute of Physics. [ABSTRACT FROM AUTHOR]

Dissipative soliton molecules (DSMs) are of great interest for studying the complexity of nonlinear optical problems as they can map with the matter molecules for making interdisciplinary analogies. In contrast to strongly bound DSMs that have a short time separation between the bound solitons, the complex dynamics and underlying binding mechanism of loosely bound soliton molecules (LBSMs) with orders of magnitude longer time separation remain open questions. To this end, here, we explore real-time spectroscopy using a dispersive temporal interferometer (DTI) to visualize the dynamics of LBSMs in a mode-locked fiber laser and unveil their underlying phase-evolving mechanism. The DTI enables fringe-resolved spectroscopy in real time of the LBSM's evolution by creating duplicates of the LBSM that results in a much closer time separation between the individual solitons of the LBSM. The real-time evolution of the LBSM's phase exhibits a diverging sliding landscape, which is theoretically and experimentally proved to be closely associated with gain dynamics. Based on the understanding of its phase dynamics, we finally demonstrate programmable phase-encoding modulation of the LBSM through gain control. These efforts not only shed light on understanding the mechanism of long-range interactions in LBSMs but also provide an alternative approach for all-optical information processing. [ABSTRACT FROM AUTHOR]

There are several mechanisms responsible for the dynamical link between heart period (HP) and respiration (R), usually referred to as cardiorespiratory coupling (CRC). Historically, diverse signal processing techniques have been employed to study CRC from the spontaneous fluctuations of HP and respiration (R). The proposed tools differ in terms of rationale and implementation, capturing diverse aspects of CRC. In this review, we classify the existing methods and stress differences with the aim of proposing a variability-based multi-method approach to CRC evaluation. Ten methodologies for CRC estimation, namely, power spectral decomposition, traditional and causal squared coherence,\;information transfer, cross-conditional entropy, mixed prediction, Shannon entropy of the latency between heartbeat and inspiratory/expiratory onset, conditional entropy of the phase dynamics, synchrogram-based analysis, pulse-respiration quotient, and joint symbolic dynamics, are considered. The ability of these techniques was exemplified over recordings acquired from patients suffering from postural orthostatic tachycardia syndrome (POTS) and healthy controls. Analyses were performed at rest in the supine position (REST) and during head-up tilt (HUT). Although most of the methods indicated that at REST, the CRC was lower in POTS patients and decreased more evidently during HUT in POTS, peculiar differences stressed the complementary value of the approaches. The multiple perspectives provided by the variability-based multi-method approach to CRC evaluation help the characterization of a pathological state and/or the quantification of the effect of a postural challenge. The present work stresses the need for the application of multiple methods to derive a more complete evaluation of the CRC in humans. [ABSTRACT FROM AUTHOR]

Two-dimensional infrared (2D-IR) spectroscopy is used to measure the spectral dynamics of the metal carbonyl complex cyclopentadienyl manganese tricarbonyl (CMT) in a series of linear alkyl nitriles. 2D-IR spectroscopy provides direct readout of solvation dynamics through spectral diffusion, probing the decay of frequency correlation induced by fluctuations of the solvent environment. 2D-IR simultaneously monitors intramolecular vibrational energy redistribution (IVR) among excited vibrations, which can also be influenced by the solvent through the spectral density rather than the dynamical friction underlying solvation. Here, we report that the CMT vibrational probe reveals solvent dependences in both the spectral diffusion and the IVR time scales, where each slows with increased alkyl chain length. In order to assess the degree to which solute–solvent interactions can be correlated with bulk solvent properties, we compared our results with low-frequency dynamics obtained from optical Kerr effect (OKE) spectroscopy—performed by others—on the same nitrile solvent series. We find excellent correlation between our spectral diffusion results and the orientational dynamics time scales from OKE. We also find a correlation between our IVR time scales and the amplitudes of the low-frequency spectral densities evaluated at the 90-cm−1 energy difference, corresponding to the gap between the two strong vibrational modes of the carbonyl probe. 2D-IR and OKE provide complementary perspectives on condensed phase dynamics, and these findings provide experimental evidence that at least at the level of dynamical correlations, some aspects of a solute vibrational dynamics can be inferred from properties of the solvent. [ABSTRACT FROM AUTHOR]

Polymer gels undergoing the oscillatory Belousov-Zhabotinsky (BZ) reaction are one of the few synthetic materials that exhibit biomimetic mechano-chemical transduction, converting mechanical input into chemical energy. Here, we consider self-oscillating BZ gels that are subjected to periodic mechanical forcing, and model the entrainment of the oscillatory gel dynamics to this external stimulus. The gel size is assumed to be sufficiently small that the chemo-mechanical oscillations are spatially uniform. The behavior of the system is captured by equations describing the kinetics of the oscillatory BZ reaction in the gel coupled to equations for the variations in gel size due to the inherent reaction and imposed force. We employ the phase dynamics approach for analyzing the entrainment of the BZ gel to force- and strain-controlled compressive deformations. The phase response curves are obtained using Malkin's method, and time-averaging is applied to extract the slow phase dynamics caused by the periodic forcing. We demonstrate that the entrainment of the self-oscillating BZ gel is sensitive to the chemo-mechanical coupling in gel, the mode of deformation, and the level of static compression. Kuramoto's model of phase oscillators is shown to be applicable if the external forcing is purely harmonic. [ABSTRACT FROM AUTHOR]

This study numerically investigates the influence of the taper on the flow-induced vibrations of an elastically mounted circular cylinder under vortex-induced vibrations (VIV). The dynamic response of three different taper ratios [ T R defined as T R = l / (d 2 − d 1) = 12 (highly tapered cylinder), 20 (medium tapered cylinder), and 40 (low tapered cylinder)], where d1 and d2 are the largest and smallest diameter of the tapered cylinder, respectively, with length l is studied at a fixed Reynolds number [ Re D , defined based on the averaged cylinder diameter, D = (d 1 + d 2) / 2 ] of 150. The amplitude and frequency response of the tapered cylinder is characterized by a low mass ratio (defined as the ratio of the total oscillating mass to the displaced fluid mass) of m* = 2 over the wide range of reduced velocity (3 ≤ U r ≤ 16) covering the full amplitude-response spectrum (based on the oscillation amplitude) of the VIV. The results show the existence of difference in the spanwise shedding of vortices owing to the poor spanwise pressure correlation. The flow field analysis in the wake of the oscillating cylinder reveals the dominance of the three-dimensional structures in the wake (near the top end with the larger diameter) behind the cylinder with the increase in the taper ratio (even at such low Re D where the uniform cylinder exhibits the two-dimensional wake). Also, the tapered cylinder exhibits a wide range of frequency synchronization (i.e., wide lock-in area) compared to the uniform cylinder. Tapering the cylinder results in the shift of the peak of the max oscillation amplitude or, in turn, the shift in the transitioning of the response branches. Further, force decomposition, energy transfer, and phase dynamics are also discussed for the taper cylinders. [ABSTRACT FROM AUTHOR]

The wave-induced hydrodynamics of coupled nonlinear piston-mode fluid resonances within two narrow gaps between three barges are numerically investigated using a two-dimensional viscous wave flume. This study aims to explore the time-dependent nonlinear interactions between fluid oscillations in the two gaps. The coupled synchronous dynamic behaviors of fluid oscillations during the transient evolution stage are first examined in terms of amplitude and frequency modulation. It is shown that phase dynamics, including phase slipping, trapping, and locking, play significant roles in establishing the coupled synchronous dynamic evolutions of fluid oscillations in the two gaps. The quasi-steady state of the amplitude- and phase-frequency responses of fluid oscillations within the gaps, along with the reflection and transmission waves in front of and behind the three-barge system, are further analyzed. This analysis clarifies the significance of viscous damping energy dissipation and radiation damping energy transfer involved in gap resonance problems. This clarification also explains the performance of fully nonlinear potential flow solvers in predicting fluid resonances in the two narrow gaps. Finally, the nonlinear dynamic features of fluid oscillations are examined. The effects of incident wave nonlinearity, i.e., wave steepness, on resonant frequencies, response amplitudes, energy dissipation, and reflection and transmission coefficients are investigated. Harmonic analysis via Fourier transformation reveals the contributions of first-, second-, and third-order harmonics to the overall response amplitudes. The physical insights gained from this study provide a deeper understanding of the coupled nonlinear dynamics of piston-mode fluid resonances in multiple narrow gaps. [ABSTRACT FROM AUTHOR]

We investigate the switching current distributions of ferromagnetic anomalous Josephson junctions subjected to a linearly increasing bias current. Our study uncovers a significant correlation between the position of the switching current distributions and crucial system parameters, such as the strength of the spin–orbit coupling and the Gilbert damping parameter. This indicates that these parameters can be directly determined through experimental measurements. By conducting a comprehensive analysis of the interplay among noise, magnetization, phase dynamics, and the statistical properties of the switching current distribution, we deepen our understanding of these intriguing cryogenic spintronics devices. These findings hold potential for applications in the field of quantum computing architectures and information processing technologies. [ABSTRACT FROM AUTHOR]

Neural interactions occur on different levels and scales. It is of particular importance to understand how they are distributed among different neuroanatomical and physiological relevant brain regions. We investigated neural cross-frequency couplings between different brain regions according to the Desikan–Killiany brain parcellation. The adaptive dynamic Bayesian inference method was applied to EEG measurements of healthy resting subjects in order to reconstruct the coupling functions. It was found that even after averaging over all subjects, the mean coupling function showed a characteristic waveform, confirming the direct influence of the delta-phase on the alpha-phase dynamics in certain brain regions and that the shape of the coupling function changes for different regions. While the averaged coupling function within a region was of similar form, the region-averaged coupling function was averaged out, which implies that there is a common dependence within separate regions across the subjects. It was also found that for certain regions the influence of delta on alpha oscillations is more pronounced and that oscillations that influence other are more evenly distributed across brain regions than the influenced oscillations. When presenting the information on brain lobes, it was shown that the influence of delta emanating from the brain as a whole is greatest on the alpha oscillations of the cingulate frontal lobe, and at the same time the influence of delta from the cingulate parietal brain lobe is greatest on the alpha oscillations of the whole brain. [ABSTRACT FROM AUTHOR]

Polymer gels undergoing the oscillatory Belousov-Zhabotinsky (BZ) reaction are one of the few synthetic materials that exhibit biomimetic mechano-chemical transduction, converting mechanical input into chemical energy. Here, we consider self-oscillating BZ gels that are subjected to periodic mechanical forcing, and model the entrainment of the oscillatory gel dynamics to this external stimulus. The gel size is assumed to be sufficiently small that the chemo-mechanical oscillations are spatially uniform. The behavior of the system is captured by equations describing the kinetics of the oscillatory BZ reaction in the gel coupled to equations for the variations in gel size due to the inherent reaction and imposed force. We employ the phase dynamics approach for analyzing the entrainment of the BZ gel to force- and strain-controlled compressive deformations. The phase response curves are obtained using Malkin's method, and time-averaging is applied to extract the slow phase dynamics caused by the periodic forcing. We demonstrate that the entrainment of the self-oscillating BZ gel is sensitive to the chemo-mechanical coupling in gel, the mode of deformation, and the level of static compression. Kuramoto's model of phase oscillators is shown to be applicable if the external forcing is purely harmonic. [ABSTRACT FROM AUTHOR]