Tunneling Dynamics Research Articles

Estimation of longitudinal aerodynamic parameters using recurrent neural network

AbstractThe aerodynamic modelling is one of the challenging tasks that is generally established using the results of the computational fluid dynamic software and wind tunnel analysis performed either on the scaled model or the prototype. In order to improve the confidence of the estimates, the conventional parameter estimation methods such as equation error method (EEM) and output error method (OEM) are more often applied to extract the aircraft’s stability and control derivatives from its respective flight test data. The quality of the estimates gets influenced due to the presence of the measurement and process noises in the flight test data. With the advancement in the machine learning algorithms, the data driven methods have got more attention in the modelling of a system based on the input-output measurements and also, in the identification of the system/model parameters. The research article investigates the longitudinal stability and control derivatives of the aerodynamic models by using an integrated optimisation algorithm based on a recurrent neural network. The flight test data of Hansa-3 and HFB 320 aircraft were used as case studies to see the efficacy of the parameter estimation algorithm and further, the confidence of the estimates were demonstrated in terms of the standard deviations. Finally, the simulated variables obtained using the estimates demonstrate a qualitative estimation in the presence of the noise.

Programmable van‐der‐Waals heterostructure‐enabled optoelectronic synaptic floating‐gate transistors with ultra‐low energy consumption

AbstractVan der Waals (vdW) heterostructures provide a unique opportunity to develop various electronic and optoelectronic devices with specific functions by designing novel device structures, especially for bioinspired neuromorphic optoelectronic devices, which require the integration of nonvolatile memory and excellent optical responses. Here, we demonstrate a programmable optoelectronic synaptic floating‐gate transistor based on multilayer graphene/h‐BN/MoS2 vdW heterostructures, where both plasticity emulation and modulation were successfully realized in a single device. The dynamic tunneling process of photogenerated carriers through the as‐fabricated vdW heterostructures contributed to a large memory ratio (105) between program and erase states. Our device can work as a functional or silent synapse by applying a program/erase voltage spike as a modulatory signal to determine the response to light stimulation, leading to a programmable operation in optoelectronic synaptic transistors. Moreover, an ultra‐low energy consumption per light spike event (~2.5 fJ) was obtained in the program state owing to a suppressed noise current by program operation in our floating‐gate transistor. This study proposes a feasible strategy to improve the functions of optoelectronic synaptic devices with ultra‐low energy consumption based on vdW heterostructures designed for highly efficient artificial neural networks.image

Performance of the Generalized-α (G-α) Algorithm for Discontinuous Dynamics by the Numerical Manifold Method

Performance of the generalized-α (G-α) time integration scheme using the numerical manifold method was examined for the continuous and discontinuous rock dynamic problems in the present paper. Influence of the generalized-α time integration scheme on the numerical stability and accuracy were studied using the dynamic equation of motion, in which various parameters such as control parameters and kinetic damping were compared by the amplification matrix A. Furthermore, convergence productiveness of the open–close iterations for the generalized-α time integration with the case of contact was also investigated. The validations of the generalized-α algorithm were conducted by a transient response analysis of an elastic strip subjected to harmonic function loading, contact analysis of layered rock deflection, and mechanical behavior of dynamical tunneling of jointed rock masses, respectively. It can be concluded from the numerical results that the proposed generalized-α scheme used in the present study has superior qualities compared to the original algorithm in solving rock dynamic problems involving more nonlinear contacts using the numerical manifold method.

Observing Dynamical Currents in a Non-Hermitian Momentum Lattice.

We report on the experimental realization and detection of dynamical currents in a spin-textured lattice in momentum space. Collective tunneling is implemented via cavity-assisted Raman scattering of photons by a spinor Bose-Einstein condensate into an optical cavity. The photon field inducing the tunneling processes is subject to cavity dissipation, resulting in effective directional dynamics in a non-Hermitian setting. We observe that the individual tunneling events are superradiant in nature and locally resolve them in the lattice by performing real-time, frequency-resolved measurements of the leaking cavity field. The results can be extended to a regime exhibiting a cascade of currents and simultaneous coherences between multiple lattice sites, where numerical simulations provide further understanding of the dynamics. Our observations showcase dynamical tunneling in momentum-space lattices and provide prospects to realize dynamical gauge fields in driven-dissipative settings.

Cold-atom quantum simulator for string and hadron dynamics in non-Abelian lattice gauge theory

We propose an analog quantum simulator for simulating real-time dynamics of $(1+1)$-dimensional non-Abelian gauge theory well within the existing capacity of ultracold-atom experiments. The scheme calls for the realization of a two-state ultracold fermionic system in a one-dimensional bipartite lattice, and the observation of subsequent tunneling dynamics. Being based on the loop string hadron formalism of $SU(2)$ lattice gauge theory, this simulation technique is completely $SU(2)$ invariant and simulates accurate dynamics of physical phenomena such as string breaking and/or pair production. The scheme is scalable and particularly effective in simulating the theory in the weak-coupling regime, and also a bulk limit of the theory in the strong-coupling regime up to certain approximations. This paper also presents a numerical benchmark comparison of the exact spectrum and real-time dynamics of lattice gauge theory to that of the atomic Hamiltonian with an experimentally realizable range of parameters.

Time-dependent Interactions in Tunnelling Dynamics

In this paper, the tunnelling of a particle through a potential barrier is investigated in the presence of a time-dependent perturbation. The latter is attributed to the process of the energy measurement of the scattered particle. The time-dependent Schrödinger equation of the model is exactly solved. The probability density inside the barrier is calculated from the obtained wave function, proving that the tunnelling dynamics is determined not only by the transmitted and reflected waves but also by their interference. Furthermore, the interference term is time-dependent and contribute to the scattering process duration. The tunnelling time is calculated as the time needed to get the probability density inside the barrier to zero. This is the minimum duration of the measurement process before detecting the particle beyond the barrier. Based on this, a new method of estimating the tunnelling time by energy experimental measuring is proposed.

DHA-containing phospholipids control membrane fusion and transcellular tunnel dynamics.

Metabolic studies and animal knockout models point to the critical role of polyunsaturated docosahexaenoic acid (22:6, DHA)-containing phospholipids (DHA-PLs) in physiology. Here, we investigated the impact of DHA-PLs on the dynamics of transendothelial cell macroapertures (TEMs) triggered by RhoA inhibition-associated cell spreading. Lipidomic analyses showed that human umbilical vein endothelial cells (HUVECs) subjected to a DHA diet undergo a 6-fold enrichment in DHA-PLs at the plasma membrane (PM) at the expense of monounsaturated oleic acid-containing PLs (OA-PLs). Consequently, DHA-PL enrichment at the PM induces a reduction in cell thickness and shifts cellular membranes towards a permissive mode of membrane fusion for transcellular tunnel initiation. We provide evidence that a global homeostatic control of membrane tension and cell cortex rigidity minimizes overall changes of TEM area through a decrease of TEM size and lifetime. Conversely, low DHA-PL levels at the PM lead to the opening of unstable and wider TEMs. Together, this provides evidence that variations of DHA-PL levels in membranes affect cell biomechanical properties.

Biexciton and trion dynamics in InP/ZnSe/ZnS quantum dots.

Transient absorption (TA) and time-resolved photoluminescence (PL) spectroscopies have been used to elucidate the hole tunneling and Auger dynamics in biexcitons and negative trions in high-quality InP/ZnSe/ZnS quantum dots (QDs). In a previous paper [Nguyen et al., J. Phys. Chem. C 125, 15405-15414 (2021)], we showed that under high-intensity photoexcitation, two types of biexcitons are formed: those having two conduction band electrons and two valence band holes (designated as an XX state) and those having two conduction band electrons, one valence band hole, and an additional trapped hole (designated as an XT state). In the present paper, we show that both types of biexcitons can undergo Auger processes, with those of the XT state being a factor of four to five slower than those of the XX state. In addition, the trapped holes can undergo tunneling into the valence band, converting an XT state to an XX state. The relative amplitudes of the fast (XX) and slow (XT) components are different in the TA and PL kinetics, and these differences can be quantitatively understood in terms of oscillator strengths and electron-hole overlap integrals of each state. XT to XX hole tunneling rates are obtained from the comparison of the XT state lifetimes with those of the negative trions. This comparison shows that the tunneling times decrease with decreasing core size and shell thickness. These times are about 2ns for the thinnest shell red-emitting QDs and decrease to 330ps for QDs that luminesce in the yellow.

Longitudinal and transversal resonant tunneling of interacting bosons in a two-dimensional Josephson junction

We unravel the out-of-equilibrium quantum dynamics of a few interacting bosonic clouds in a two-dimensional asymmetric double-well potential at the resonant tunneling scenario. At the single-particle level of resonant tunneling, particles tunnel under the barrier from, typically, the ground-state in the left well to an excited state in the right well, i.e., states of different shapes and properties are coupled when their one-particle energies coincide. In two spatial dimensions, two types of resonant tunneling processes are possible, to which we refer to as longitudinal and transversal resonant tunneling. Longitudinal resonant tunneling implies that the state in the right well is longitudinally-excited with respect to the state in the left well, whereas transversal resonant tunneling implies that the former is transversely-excited with respect to the latter. We show that interaction between bosons makes resonant tunneling phenomena in two spatial dimensions profoundly rich, and analyze these phenomena in terms of the loss of coherence of the junction and development of fragmentation, and coupling between transverse and longitudinal degrees-of-freedom and excitations. To this end, a detailed analysis of the tunneling dynamics is performed by exploring the time evolution of a few physical quantities, namely, the survival probability, occupation numbers of the reduced one-particle density matrix, and the many-particle position, momentum, and angular-momentum variances. To accurately calculate these physical quantities from the time-dependent many-boson wavefunction, we apply a well-established many-body method, the multiconfigurational time-dependent Hartree for bosons (MCTDHB), which incorporates quantum correlations exhaustively. By comparing the survival probabilities and variances at the mean-field and many-body levels of theory and investigating the development of fragmentation, we identify the detailed mechanisms of many-body longitudinal and transversal resonant tunneling in two dimensional asymmetric double-wells. In particular, we find that the position and momentum variances along the transversal direction are almost negligible at the longitudinal resonant tunneling, whereas they are substantial at the transversal resonant tunneling which is caused by the combination of the density and breathing mode oscillations. We show that the width of the interparticle interaction potential does not affect the qualitative physics of resonant tunneling dynamics, both at the mean-field and many-body levels. In general, we characterize the impact of the transversal and longitudinal degrees-of-freedom in the many-boson tunneling dynamics at the resonant tunneling scenarios.

Tunneling dynamics of tunable spin-orbit coupled Bose-Einstein condensates

We theoretically study the band structure, tunneling dynamics, and tunneling probability of tunable spin-orbit-coupled Bose-Einstein condensates under the periodic driving of Raman coupling. The time-independent Floquet Hamiltonian is obtained in the high-frequency approximation. It is found that the periodic driving can effectively tune spin-orbit coupling and nonlinear interaction. The system is mapped to a standard nonlinear two-level model, and the critical condition for the appearance of the loop in energy band structure and the width of the loop are obtained analytically. When the interspecies atomic interaction is equal to the intraspecies atomic interaction, there is no loop. However, when the intraspecies atomic interaction is smaller (larger) than the interspecies atomic interaction, the loop appears in the lower (upper) energy band. In this case, both spin-orbit coupling and Raman coupling will suppress the appearance of loop. In particular, the critical condition for the appearance of loop structure can be controlled by adjusting external driving. We also study the tunneling dynamics of Bose-Einstein condensate with tunable spin-orbit coupling. More importantly, by tuning the periodic driving, the tunneling dynamics of the system and the location of nonlinear Landau-Zener tunneling can be controlled. We also find that the spin components of the system can be reversed. Finally, the Landau-Zener tunneling probability of the system is calculated. The research shows that the periodic driving can effectively change the tunneling probability of the system.

Spin-dependent tunneling in a double quantum dot in the "slow" evolution regime

The tunneling and spin dynamics is studied for the hole states in a GaAs-based double quantum dot in the presence of strong spin-orbit coupling and periodic electric field. The regimes of tunneling with the spin flip are considered for the "slow" evolution when the field frequency is lower than the other energy parameters of the stationary part of the Hamiltonian. It is found that the under such conditions the spin flip tunneling may take place at both resonant and non-resonant regimes with respect to the Zeeman level splitting. In the latter case the driving frequency may be lower compared to the resonance one, and the system dynamics resembles the Landau-Zener-Stuckelberg-Majorana interference effects arising during the dynamic level passage in isolated quantum dots. Keywords: double quantum dot, spin-orbit interaction, Zeeman splitting, tunneling, electric dipole spin resonance.

Stereoelectronic and dynamical effects dictate nitrogen inversion during valence isomerism in benzene imine.

Benzene imine (1) ⇌ 1H-azepine (2) isomerization occurs through sequential valence and endo–exo isomerism. Quantum chemical and quasiclassical trajectory (QCT) simulations reveal the coupled reaction pathway – ring-expansion followed by N-inversion to the most stable isomer, exo-1H-azepine (Exo-2). Direct-dynamics produce a mixture of endo- and exo-1H-azepine stereoisomers and govern the endo-1H-azepine (Endo-2) ⇌ exo-1H-azepine (Exo-2) ratio. Exo-2 is computationally identified as the most stable product while Endo-2 is fleetingly stable with a survival time (ST) ∼50 fs. N-Methyl substitution exclusively results in an exo-1-methyl-1H-azepine isomer. F-substitution at the N-site increases the barrier for N-inversion and alters the preference by stabilizing Endo-2. Interestingly, the exo-1-fluoro-1H-azepine (minor product) is formed through bifurcation via non-statistical dynamics. A highly concaved Arrhenius plot for 1a → 2a highlights the influence of heavy-atom tunneling on valence isomerism, particularly at low temperatures. Heavy-atom tunneling also results in a normal N–H(D) secondary KIE above 100 K even though the increase in hybridization from sp2 to sp3 at nitrogen should cause an inverse KIE classically.

Спин-зависимое туннелирование в двойной квантовой точке в режиме "медленной" эволюции

The tunneling and spin dynamics is studied for the hole states in a GaAs-based double quantum dot in the presence of strong spin-orbit coupling and periodic electric field. The regimes of tunneling with the spin flip are considered for the “slow” evolution when the field frequency is lower than the other energy parameters of the stationary part of the Hamiltonian. It is found that the under such conditions the spin flip tunneling may take place at both resonant and non-resonant regimes with respect to the Zeeman level splitting. In the latter case the driving frequency may be lower compared to the resonance one, and the system dynamics resembles the Landau-Zener-Stückelberg-Majorana interference effects arising during the dynamic level passage in isolated quantum dots.

流れ場統合飛行制御の風洞実証のための動的支持装置の製作およびシミュレーション

The authors have been developed a flow-field integrated adaptive control system, which use in-flight surface pressure fields for real-time flight control. A simple mechanism for dynamic wind tunnel experiments is designed to run design and evaluation cycle for flow-field-integrated flight control. This system is not a tethered system using wires, but a yaw-rotatable seesaw system in which a lightweight aircraft model is supported from the lower fuselage at the center of gravity position. In this paper, we first explain the mechanism of the dynamic support system. The equations of motion of the model airplane on the support system are then derived, and the accuracy of the model is verified by comparing the motion quantities by simulation experiments and wind tunnel experiments. Once the validity of the simulation model is verified, the control law can be brushed up by repeating the design and verification cycle that goes back and forth between control law design by simulation and demonstration in the wind tunnel.

Interaction-modulated tunneling dynamics of a mixture of Bose-Fermi superfluid

In this paper, we study the interaction-modulated tunneling dynamics of a Bose-Fermi superfluid mixture, where a Bose-Einstein condensate (BEC) with weak repulsive interaction is confined in a symmetric deep double-well potential and an equally populated two-component Fermi gas in a harmonic potential symmetrically is positioned in the center of the double-well potential. The tunneling between the two wells is modulated by fermions trapped in a harmonic potential. When the temperature is adequately low and the bosonic particle number is adequately large, we can employ the mean-field theory to describe the evolution of the BEC in the double-well potential through the time-dependent Gross-Pitaevskii equation. For the Fermi gas in the harmonic potential trap, we consider the case where the inter-fermion interaction is tuned on the deep Bose-Einstein condensate of the inter-fermion Feshbach resonance, where two fermions of spin-up and spin-down form a two-body bound state. Within the regime, the Fermi gas is well described by a condensate of these fermionic dimers, and hence can be simulated as well by a Gross-Pitaevskii equation of dimers. The inter-species interactions couple the dynamics of the two species, which results in interesting features in the tunneling oscillations. The dynamic equations of the BEC in the double-well potential is described by a two-mode approximation. Coupling it with time-dependent Gross-Pitaevskii equation of the harmonically potential trapped molecular BEC, we numerically investigate the dynamical evolution of the Boson-Fermi hybrid system under different initial conditions. It is found that the interaction among fermions in a harmonic potential leads to strong non-linearity in the oscillations of the bosons in the double-well potential and enriches the tunneling dynamics of the bosons. Especially, it strengthens macroscopic quantum self-trapping. And the macroscopic quantum self-trapping can be expressed in three forms: the phase tends to be negative and monotonically decreases with time, the phase evolves with time, and the phase tends to be positive and increases monotonically with time. This means that it is possible the tunneling dynamics of the BEC in double-well potential is adjustable. Our results can be verified experimentally in a Bose-Fermi superfluid mixture by varying different interaction parameters via Feshbach resonance and confinement-induced resonance.

Tunneling dynamics dictated by the multidimensional conical intersection seam in the πσ*‐mediated photochemistry of heteroaromatic molecules

AbstractThe πσ*‐mediated photochemistry of heteroaromatic molecules has provoked the investigation of the conical intersection dynamics. The Born–Oppenheimer approximation fails at the conical intersection where the S1 (ππ*) and S2 (πσ*) states cross. The nonadiabatic transitions are much influenced by the nuclear configuration of the reactive flux particularly in the curve‐crossing region encountered along the reaction pathway. In this article, we focus on the tunneling dynamics of phenols and thiophenols. The O (S)H bond cleavage occurs via tunneling through the barrier which is dynamically shaped by the upper‐lying S1/S2 conical intersection in terms of the couplings at the individual branching planes as well as along the (3N‐8) dimensional seam coordinates. State‐specific tunneling rates and their interpretation are given for phenol, substituted phenols, thiophenol, ortho‐substituted thiophenols, and benzenediols including their 1:1 water clusters. The completely orthogonal modes to the tunneling coordinate are very critical in the dynamic shaping of the reaction barrier.

Recapitulating Trafficking of Nucleosides Into the Active Site of Polymerases of RNA Viruses: The Challenge and the Prize.

Nucleoside analogs are very effective antiviral agents with currently over 25 compounds approved for the therapy of viral infections. Still, their successful use against RNA viruses is very recent, despite RNA viruses comprising some of the most damaging human pathogens (e.g., Coronaviruses, Influenza viruses, or Flaviviridae such as dengue, Zika and hepatitis C viruses). The breakthrough came in 2013–2014, when the nucleoside analog Sofosbuvir became one of the cornerstones of current curative treatments for hepatitis C virus (HCV). An analog designed on the same principles, Remdesivir, has been the first approved compound against SARS-CoV-2, the coronavirus that causes the current COVID-19 pandemic. Both of these nucleoside analogs target the RNA-dependent RNA polymerase (RdRp) (NS5B for HCV, nsp12 for SARS-CoV-2). RdRps of RNA viruses display a peculiar elaboration of the classical polymerase architecture that leads to their active site being caged. Thus, triphosphate nucleosides and their analogs must access this active site in several steps along a narrow and dynamic tunnel. This makes straightforward computational approaches such as docking unsuitable for getting atomic-level details of this process. Here we give an account of ribose-modified nucleoside analogs as inhibitors of viral RdRps and of why taking into account the dynamics of these polymerases is necessary to understand nucleotide selection by RdRps. As a case study we use a computational protocol we recently described to examine the approach of the NTP tunnel of HCV NS5B by cellular metabolites of Sofosbuvir. We find major differences with natural nucleotides even at this early stage of nucleotide entry.

Avoided crossings and dynamical tunneling close to excited-state quantum phase transitions.

Using the Wehrl entropy, we study the delocalization in phase space of energy eigenstates in the vicinity of avoided crossings in the Lipkin-Meshkov-Glick model. These avoided crossings, appearing at intermediate energies in a certain parameter region of the model, originate classically from pairs of trajectories lying in different phase-space regions which, contrary to the low-energy regime, are not connected by the discrete parity symmetry of the model. As coupling parameters are varied, a sudden increase of the Wehrl entropy is observed for eigenstates participating in avoided crossings that are close to the critical energy of the excited-state quantum phase transition. This allows us to detect when an avoided crossing is accompanied by a superposition of the pair of classical trajectories in the Husimi function of eigenstates. This superposition yields an enhancement of dynamical tunneling, which is observed by considering initial Bloch states that evolve partially into the partner region of the paired classical trajectories, thus breaking the quantum-classical correspondence in the evolution of observables.

Spectroscopic study of the tunneling dynamics in N2-water observed in the O-D stretch region.

The O-D stretch rovibrational spectra of N2-D2O and N2-DOH were measured and analyzed. A combination band involving the in-plane N2 bending vibration was also observed. These bands were recorded using a pulsed-slit supersonic jet expansion and a mid-infrared tunable optical parametric oscillator. The spectra were analyzed by considering the feasible tunneling motions, and transitions were fitted to independent asymmetric rotors for each tunneling state. The rotational constants of the four tunneling components of N2-D2O were retrieved for the excited vibrational states. A two order of magnitude increase in the tunneling splittings is observed for the asymmetric O-D stretch (ν3 in D2O) excitation compared to the symmetric stretch (ν1 in D2O) and to the ground vibrational state. This last finding indicates that the ν3 vibrational state is likely perturbed by a combination state that includes ν1. Finally, the observation of a local perturbation in the ν3 vibrational band, affecting the positions of few rovibrational levels, provides an experimental lower limit of the dissociation energy of the complex, D0 > 120cm-1.

Probing tunneling dynamics of dissociative H2 molecules using two-color bicircularly polarized fields

Probing and manipulating the electronic motion in the ultrafast laser molecular interaction provides the pathways for quantum imaging and controlling chemical reactions. Recently, the emerging application of attosecond metrology of ultrafast electron dynamics has accessed the time scale of the most fundamental processes in molecular chemical reactions. Here, we probe the tunneling dynamics of internuclear-dependent dissociative reaction of ${\mathrm{H}}_{2}$ with angular streaking using two-color bicircularly polarized femtosecond laser pulses. By measuring high-resolution photoelectron spectroscopy, we disentangle the orientation and internuclear-distance dependent effect of the long-range Coulomb potential and the initial phase on molecular-frame photoelectron momentum distributions, and stereo extract the phase gradient of the tunneling electron wave packets and Wigner time delay during the dissociative ionization using two-color bicircular fields. The work has an insight into the clocking of ultrafast spatiotemporal photoelectron dynamics and the quantum control of molecular chemical processes via sculptured circular fields, which can be applied to polyatomic molecules.