Coupled fractional nonlinear differential equations and exact Jacobian elliptic solutions for exciton–phonon dynamics

An improved quantum model for exciton–phonon dynamics in an α-helix is investigated taking into account the interspine coupling and the influence of power-law long-range exciton–exciton interactions. Having constructed the model Hamiltonian, we derive the lattice equations and employ the Fourier transforms to go in continuum space showing that the long-range interactions (LRI) lead to a nonlocal integral term in the equations of motion. Indeed, the non-locality originating from the LRI results in the dynamic equations with space derivatives of fractional order. New theoretical frameworks are derived, such that: fractional generalization of coupled Zakharov equations, coupled nonlinear fractional Schrödinger equations, coupled fractional Ginzburg–Landau equations, coupled Hilbert–Zakharov equations, coupled nonlinear Hilbert–Ginzburg–Landau equations, coupled nonlinear Schrödinger equations and coupled nonlinear Hilbert–Schrödinger equations. Through the F-expansion method, we derive a set of exact Jacobian solutions of coupled nonlinear Schrödinger equations. These solutions include Jacobian periodic solutions as well as bright and dark soliton which are important in the process of energy transport in the molecule. We also discuss of the impact of LRI on the energy transport in the molecule.     

Orientation effect on the electronic transport properties of C24 fullerene molecule

The transport properties of the cage-like molecule depend on its orientation between the electrodes, but the investigation on the mechanism has not been found. Using first-principle density-functional theory (DFT) and non-equilibrium Green’s function (NEGF) formalism for quantum transport calculation, we study the electronic transport properties of C₂₄ fullerene molecule with different orientations in Au–C₂₄–Au two-probe system. The effects of k-point sampling on the Brillouin zone are explored. Our results show that the negative differential resistance of C₂₄ molecule is found in such a system and can be tuned by the molecule's orientation in the two-probe system. We also proposed a mechanism for it. The I–V characteristic under bias voltage is determined. The present findings could be helpful for the application of the C₂₄ molecule in the field of single molecular devices or nanometer electronics.     

Spin-polarized transport in ferromagnet/Rashba quantum dot/ferromagnet system

The transport properties of the Datta and Das's spin transistor with the center normal region (or the quantum dot) having Rashba spin–orbit interaction and electron–electron (e–e) interaction U are investigated. We find while intra-dot level is near or above the chemical potential of the leads, the modulation efficiency of this spin transistor almost is not influenced by U. On the other hand, when the level is below the chemical potential, e–e interaction U may affect the modulator efficiency, because in this case the existence of e–e interaction can change the transport properties of the quantum dot. But the modulation efficiency still keep enough large and the spin transistor can effectively work.     

Summing over all topologies in CDT string field theory

By explicitly allowing for topology to change as a function of time, two-dimensional quantum gravity defined through causal dynamical triangulations gives rise to a new continuum string field theory. Within a matrix-model formulation we show that – rather remarkably – the associated sum over all genera can be performed in closed form, leading to a nonperturbative definition of CDT string field theory. We also obtain explicit formulas for the n-loop correlation functions. Our construction exhibits interesting parallels with previous, purely Euclidean treatments.     

Quantum spins on star graphs and the Kondo model

We study the XX model for quantum spins on the star graph with three legs (i.e., on a Y  -junction). By performing a Jordan–Wigner transformation supplemented by the introduction of an auxiliary space we find a Kondo Hamiltonian of fermions, in the spin 1 representation of su(2)$\mathit{su}(2)$, locally coupled with a magnetic impurity. In the continuum limit our model is shown to be equivalent to the 4-channel Kondo model coupling spin-1/2 fermions with a spin-1/2 impurity and exhibiting a non-Fermi liquid behavior. We also show that it is possible to find an XY model such that – after the Jordan–Wigner transformation – one obtains a quadratic fermionic Hamiltonian directly diagonalizable.     

Fano resonance in graphene anti-dot and periodic graphene anti-dot arrays

We study the electron transport properties of graphene anti-dot and periodic graphene anti-dot arrays using the nonequilibrium Green?s function method and Landauer–Büttiker formula. Fano resonant peaks are observed in the vicinity of Fermi energy, because discrete states coexist with continuum energy states. These peaks move closer to Fermi energy with increasing the width of anti-dots, but move away from the Fermi energy with increasing the length of anti-dots. When N periodic anti-dots exist in the longitude direction, a rapid fluctuation appears in the conductance with varying resonance peaks, which is mainly from the local resonances created by quasibound state. When P periodic anti-dots exist in the transverse direction, P-fold resonant splitting peaks are observed around the Fermi energy, owing to the symmetric and antisymmetric superposition of quasibound states.     

Effect of boundary treatments on quantum transport current in the Green’s function and Wigner distribution methods for a nano-scale DG-MOSFET

In this paper, we conduct a study of quantum transport models for a two-dimensional nano-size double gate (DG) MOSFET using two approaches: non-equilibrium Green’s function (NEGF) and Wigner distribution. Both methods are implemented in the framework of the mode space methodology where the electron confinements below the gates are pre-calculated to produce subbands along the vertical direction of the device while the transport along the horizontal channel direction is described by either approach. Each approach handles the open quantum system along the transport direction in a different manner. The NEGF treats the open boundaries with boundary self-energy defined by a Dirichlet to Neumann mapping, which ensures non-reflection at the device boundaries for electron waves leaving the quantum device active region. On the other hand, the Wigner equation method imposes an inflow boundary treatment for the Wigner distribution, which in contrast ensures non-reflection at the boundaries for free electron waves entering the device active region. In both cases the space-charge effect is accounted for by a self-consistent coupling with a Poisson equation. Our goals are to study how the device boundaries are treated in both transport models affects the current calculations, and to investigate the performance of both approaches in modeling the DG-MOSFET. Numerical results show mostly consistent quantum transport characteristics of the DG-MOSFET using both methods, though with higher transport current for the Wigner equation method, and also provide the current–voltage (I–V) curve dependence on various physical parameters such as the gate voltage and the oxide thickness.     

A unified gas-kinetic scheme for continuum and rarefied flows

With discretized particle velocity space, a multiscale unified gas-kinetic scheme for entire Knudsen number flows is constructed based on the BGK model. The current scheme couples closely the update of macroscopic conservative variables with the update of microscopic gas distribution function within a time step. In comparison with many existing kinetic schemes for the Boltzmann equation, the current method has no difficulty to get accurate Navier–Stokes (NS) solutions in the continuum flow regime with a time step being much larger than the particle collision time. At the same time, the rarefied flow solution, even in the free molecule limit, can be captured accurately. The unified scheme is an extension of the gas-kinetic BGK-NS scheme from the continuum flow to the rarefied regime with the discretization of particle velocity space. The success of the method is due to the un-splitting treatment of the particle transport and collision in the evaluation of local solution of the gas distribution function. For these methods which use operator splitting technique to solve the transport and collision separately, it is usually required that the time step is less than the particle collision time. This constraint basically makes these methods useless in the continuum flow regime, especially in the high Reynolds number flow simulations. Theoretically, once the physical process of particle transport and collision is modeled statistically by the kinetic Boltzmann equation, the transport and collision become continuous operators in space and time, and their numerical discretization should be done consistently. Due to its multiscale nature of the unified scheme, in the update of macroscopic flow variables, the corresponding heat flux can be modified according to any realistic Prandtl number. Subsequently, this modification effects the equilibrium state in the next time level and the update of microscopic distribution function. Therefore, instead of modifying the collision term of the BGK model, such as ES-BGK and BGK–Shakhov, the unified scheme can achieve the same goal on the numerical level directly. Many numerical tests will be used to validate the unified method.     

Random walk particle tracking simulations of non-Fickian transport in heterogeneous media

Derivations of continuum nonlocal models of non-Fickian (anomalous) transport require assumptions that might limit their applicability. We present a particle-based algorithm, which obviates the need for many of these assumptions by allowing stochastic processes that represent spatial and temporal random increments to be correlated in space and time, be stationary or non-stationary, and to have arbitrary distributions. The approach treats a particle trajectory as a subordinated stochastic process that is described by a set of Langevin equations, which represent a continuous time random walk (CTRW). Convolution-based particle tracking (CBPT) is used to increase the computational efficiency and accuracy of these particle-based simulations. The combined CTRW–CBPT approach enables one to convert any particle tracking legacy code into a simulator capable of handling non-Fickian transport.     

Ballistic aggregation for one-sided Brownian initial velocity

We study the one-dimensional ballistic aggregation process in the continuum limit for one-sided Brownian initial velocity (i.e. particles merge when they collide and move freely between collisions, and in the continuum limit the initial velocity on the right side is a Brownian motion that starts from the origin x=0). We consider the cases where the left side is either at rest or empty at t=0. We derive explicit expressions for the velocity distribution and the mean density and current profiles built by this out-of-equilibrium system. We find that on the right side the mean density remains constant whereas the mean current is uniform and grows linearly with time. All quantities show an exponential decay on the far left. We also obtain the properties of the leftmost cluster that travels towards the left. We find that in both cases relevant lengths and masses scale as t² and the evolution is self-similar.     

Fundamental and transport properties of ZnX,CdX and HgX (X = S,Se, Te) compounds

We have performed ab initio self-consistent calculations based on full potential linear augmented plane-wave method (FP-LAPW) with the local density approximation (LDA) and generalised gradient approximation (GGA) to investigate the relativistic effects on the structural, electronic, transport and optical properties of II–VI compounds. We mainly show that the stabilisation (destabilisation) of s, p*(p) orbital energies reduces the lattice parameters of II–VI compounds, the band gaps and the effective masses. This, however, induces strong spin–orbit splitting of heavier II–VI compounds.     

Transport through a quantum dot coupled to two Majorana bound states

We investigate electron transport inside a ring system composed of a quantum dot (QD) coupled to two Majorana bound states confined at the ends of a one-dimensional topological superconductor nanowire. By tuning the magnetic flux threading through the ring, the model system we consider can be switched into states with or without zero-energy modes when the nanowire is in its topological phase. We find that the Fano profile in the conductance spectrum due to the interference between bound and continuum states exhibits markedly different features for these two different situations, which consequently can be used to detect the Majorana zero-energy mode. Most interestingly, as a periodic function of magnetic flux, the conductance shows 2π periodicity when the two Majorana bound states are nonoverlapping (as in an infinitely long nanowire) but displays 4π periodicity when the overlapping becomes nonzero (as in a finite length nanowire). We map the model system into a QD–Kitaev ring in the Majorana fermion representation and affirm these different characteristics by checking the energy spectrum.     

The analysis of misalignment errors of optical masks for wavefront coded passive-ranging systems

A typical wavefront coding passive-ranging system and its alignment error coordinate is introduced. Based on this, we have analyzed off-axis error, tilt error of x–y plane and tilt error of y–z plane for the plane of mask. The results show the off-axis error of mask does not affect the magnitude transfer function (MTF) of optical–digital system and the light spots will has a plane shift. The tilt error of x–y plane makes us realize that the coordinate must be selected on the basis of the optical mask plane in wavefront coded passive-ranging system. The tilt angle in y–z plane brings errors to the final ranging result. Therefore, the passive ranging system requires higher assembly accuracy between modulating plane and optical system plane. We noted that it bring errors to the final ranging result with wide field of view condition on the passive ranging system.     

A matrix model for 2D quantum gravity defined by Causal dynamical triangulations

A novel continuum theory of two-dimensional quantum gravity, based on a version of Causal Dynamical Triangulations which incorporates topology change, has recently been formulated as a genuine string field theory in zero-dimensional target space [J. Ambjørn, R. Loll, Y. Watabiki, W. Westra, S. Zohren, arXiv: 0802.0719]. Here we show that the Dyson–Schwinger equations of this string field theory are reproduced by a cubic matrix model. This matrix model also appears in the so-called Dijkgraaf–Vafa correspondence if the superpotential there is required to be renormalizable. In the spirit of this model, as well as the original large-N expansion by 't Hooft, we need no special double-scaling limit involving a fine tuning of coupling constants to obtain the continuum quantum-gravitational theory. Our result also implies a matrix model representation of the original, strictly causal quantum gravity model.     

State transitions and the continuum limit for a 2D interacting, self-propelled particle system

We study a class of swarming problems wherein particles evolve dynamically via pairwise interaction potentials and a velocity selection mechanism. We find that the swarming system undergoes various changes of state as a function of the self-propulsion and interaction potential parameters. In this paper, we utilize a procedure which connects a class of individual-based models to their continuum formulations and determine criteria for the validity of the latter. H-stability of the interaction potential plays a fundamental role in determining both the validity of the continuum approximation and the nature of the aggregation state transitions. We perform a linear stability analysis of the continuum model and compare the results to the simulations of the individual-based one.     

Tailoring atomic structure to control the electronic transport in zigzag graphene nanoribbon

We have performed ab initio   density functional theory calculation to study the electronic transport properties of the tailored zigzag-edged graphene nanoribbon (ZGNR) with particular electronic transport channels. Our results demonstrated that tailoring the atomic structure had significantly influenced the electronic transport of the defective nanostructures, and could lead to the metal-semiconducting transition when sufficient atoms are tailored. The asymmetric I–V$I\text{–}V$ characteristics as a result of symmetry breaking have been exhibited, which indicates the route to utilize GNR as a basic component for novel nanoelectronics.     

Enhanced low-field-magnetoresistance and electro-magnetic behavior of La0.7Sr0.3MnO3/BaTiO3 composites

We report the structural, magentoresistance and electro-magnetic properties of ferromagnet–ferroelectric–type (1−x)La_0.7Sr_0.3MnO₃/xBaTiO₃ (with x=0.0%, 3.0%, 6.0%, 12%, 15.0% and 18.0%, in wt%) composites fabricated through a solid-state reaction method combined with a high energy milling method. The insulator–metal transition temperature shifts to a lower temperature and resistivity increases while the feromagnetic–paramagnetic transition temperature remains almost unchanged with the increase of BaTiO₃ content. Magnetoresistance of the composites at an applied magnetic field H=3 kOe is enhanced in the wide temperature ranges with the introduction of BaTiO₃, which could be explained by the enhanced spin polarized tunneling effect induced by the introduction of BaTiO₃. The low-field magnetoresistance of the composite is analyzed in the light of a phenomenological model based on the spin polarized tunneling at the grain boundaries. Furthermore, the temperature dependence of resistivity for this series has been best-fitted by using the adiabatic small polaron and variable range hopping models. These models may be used to explain effect of BTO on the electronic transport properties on high temperature paramagnetic insulating region.     

Tunneling through discrete levels in the continuum

We study the ballistic transport in quantum channels containing attractive impurities. We show that coherent interaction between asymptotic resonances may cause resonances to disappear and discrete levels to appear in the continuum at certain (critical) values of the parameters of the system. For the first time the tunneling of an electron through discrete levels is investigated. We find that the transmissivity changes dramatically when the scattered electrons at infinity have an energy coinciding with that of the discrete levels. It is found that a new type of degeneracy may arise in the system at critical values of the parameters, a degeneracy in which one state is described by a localized wave function and the other, by a propagating wave function. We calculate the critical values of the parameters of the structure and discuss ways of experimentally implementing this effect in two-dimensional channels. Zh. éksp. Teor. Fiz. 115, 211–230 (January 1999)     

A first-order system approach for diffusion equation. II: Unification of advection and diffusion

In this paper, we unify advection and diffusion into a single hyperbolic system by extending the first-order system approach introduced for the diffusion equation [J. Comput. Phys., 227 (2007) 315–352] to the advection–diffusion equation. Specifically, we construct a unified hyperbolic advection–diffusion system by expressing the diffusion term as a first-order hyperbolic system and simply adding the advection term to it. Naturally then, we develop upwind schemes for this entire   system; there is thus no need to develop two different schemes, i.e., advection and diffusion schemes. We show that numerical schemes constructed in this way can be automatically uniformly accurate, allow O(h)$O(h)$ time step, and compute the solution gradients (viscous stresses/heat fluxes for the Navier–Stokes equations) simultaneously to the same order of accuracy as the main variable, for all Reynolds numbers. We present numerical results for boundary-layer type problems on non-uniform grids in one dimension and irregular triangular grids in two dimensions to demonstrate various remarkable advantages of the proposed approach. In particular, we show that the schemes solving the first-order advection–diffusion system give a tremendous speed-up in CPU time over traditional scalar schemes despite the additional cost of carrying extra variables and solving equations for them. We conclude the paper with discussions on further developments to come.