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L. L. Bonilla

Publications and source records attributed to L. L. Bonilla.

At least 55 records · Page 3Linked to original sources

Strain and rotation fields of dislocations in graphene

Strain and rotation fields of dislocations in monolayer graphene have been mapped in a recent experiment. These fields are finite everywhere and differ from those given by linear elasticity which does not consider rotation explicitly and predicts infinite rotation and strains at the dislocation point. A derivative regularization of two-dimensional linear elasticity fixes these shortcomings. The theory adds rotation, dislocation and residual strain energies to the usual elastic energy. There are two extra material constants that determine the size of the dislocation core and are determined from experimental data. These findings are useful for studies of dislocations in graphene and for analyzing incipient plasticity in two dimensional crystals.

cond-mat.mes-hall↗

Spin-oscillator model for DNA/RNA unzipping by mechanical force

We model unzipping of DNA/RNA molecules subject to an external force by a spin-oscillator system. The system comprises a macroscopic degree of freedom, represented by a one-dimensional oscillator, and internal degrees of freedom, represented by Glauber spins with nearest-neighbor interaction and a coupling constant proportional to the oscillator position. At a critical value $F_c$ of an applied external force $F$, the oscillator rest position (order parameter) changes abruptly and the system undergoes a first-order phase transition. When the external force is cycled at different rates, the extension given by the oscillator position exhibits a hysteresis cycle at high loading rates whereas it moves reversibly over the equilibrium force-extension curve at very low loading rates. Under constant force, the logarithm of the residence time at the stable and metastable oscillator rest position is proportional to $(F-F_c)$ as in an Arrhenius law.

cond-mat.stat-mech↗

Numerical method for hydrodynamic modulation equations describing Bloch oscillations in semiconductor superlattices

We present a finite difference method to solve a new type of nonlocal hydrodynamic equations that arise in the theory of spatially inhomogeneous Bloch oscillations in semiconductor superlattices. The hydrodynamic equations describe the evolution of the electron density, electric field and the complex amplitude of the Bloch oscillations for the electron current density and the mean energy density. These equations contain averages over the Bloch phase which are integrals of the unknown electric field and are derived by singular perturbation methods. Among the solutions of the hydrodynamic equations, at a 70 K lattice temperature, there are spatially inhomogeneous Bloch oscillations coexisting with moving electric field domains and Gunn-type oscillations of the current. At higher temperature (300 K) only Bloch oscillations remain. These novel solutions are found for restitution coefficients in a narrow interval below their critical values and disappear for larger values. We use an efficient numerical method based on an implicit second-order finite difference scheme for both the electric field equation (of drift-diffusion type) and the parabolic equation for the complex amplitude. Double integrals appearing in the nonlocal hydrodynamic equations are calculated by means of expansions in modified Bessel functions. We use numerical simulations to ascertain the convergence of the method. If the complex amplitude equation is solved using a first order scheme for restitution coefficients near their critical values, a spurious convection arises that annihilates the complex amplitude in the part of the superlattice that is closer to the cathode. This numerical artifact disappears if the space step is appropriately reduced or we use the second-order numerical scheme.

cond-mat.mes-hall↗

Wave fronts, pulses and wave trains in photoexcited superlattices behaving as excitable or oscillatory media

Undoped and strongly photoexcited semiconductor superlattices with field-dependent recombination behave as excitable or oscillatory media with spatially discrete nonlinear convection and diffusion. Infinitely long, dc-current-biased superlattices behaving as excitable media exhibit wave fronts with increasing or decreasing profiles, whose velocities can be calculated by means of asymptotic methods. These superlattices can also support pulses of the electric field. Pulses moving downstream with the flux of electrons can be constructed from their component wave fronts, whereas pulses advancing upstream do so slowly and experience saltatory motion: they change slowly in long intervals of time separated by fast transitions during which the pulses jump to the previous superlattice period. Photoexcited superlattices can also behave as oscillatory media and exhibit wave trains.

cond-mat.mes-hall↗

Theory of spatially inhomogneous Bloch oscillations in semiconductor superlattices

In a semiconductor superlattice with long scattering times, damping of Bloch oscillations due to scattering is so small that nonlinearities may compensate it and Bloch oscillations persist even in the hydrodynamic regime. To demonstrate this, a Boltzmann-Poisson transport model of miniband superlattices with inelastic collisions is proposed and hydrodynamic equations for electron density, electric field and the complex amplitude of the Bloch oscillations are derived by singular perturbation methods. For appropriate parameter ranges, numerical solutions of these equations show stable Bloch oscillations with spatially inhomogeneous field, charge, current density and energy density profiles. These Bloch oscillations disappear as scattering times become sufficiently short. For sufficiently low lattice temperatures, Bloch and Gunn type oscillations mediated by electric field, current and energy domains coexist for a range of voltages. For larger lattice temperatures (300 K), there are only Bloch oscillations with stationary amplitude and electric field profiles.

cond-mat.mes-hall↗

Spatially confined Bloch oscillations in semiconductor superlattices

In a semiconductor superlattice with long scattering times, damping of Bloch oscillations due to scattering is so small that convective nonlinearities may compensate it and Bloch oscillations persist even in the hydrodynamic regime. In this case, numerical solutions show that there are stable Bloch oscillations confined to a region near the collector with inhomogeneous field, charge, current density and energy density profiles. These Bloch oscillations disappear when damping due to inelastic collisions becomes sufficiently strong.

cond-mat.mes-hall↗

Statics and dynamics of a harmonic oscillator coupled to a one-dimensional Ising system

We investigate an oscillator linearly coupled with a one-dimensional Ising system. The coupling gives rise to drastic changes both in the oscillator statics and dynamics. Firstly, there appears a second order phase transition, with the oscillator stable rest position as its order parameter. Secondly, for fast spins, the oscillator dynamics is described by an effective equation with a nonlinear friction term that drives the oscillator towards the stable equilibrium state.

cond-mat.stat-mech↗

Theory of defect dynamics in graphene: defect groupings and their stability

We use our theory of periodized discrete elasticity to characterize defects in graphene as the cores of dislocations or groups of dislocations. Earlier numerical implementations of the theory predicted some of the simpler defect groupings observed in subsequent Transmission Electron Microscope experiments. Here we derive the more complicated defect groupings of three or four defect pairs from our theory, show that they correspond to the cores of two pairs of dislocation dipoles and ascertain their stability.

cond-mat.mes-hall↗

Nonequilibrium dynamics of a fast oscillator coupled to Glauber spins

A fast harmonic oscillator is linearly coupled with a system of Ising spins that are in contact with a thermal bath, and evolve under a slow Glauber dynamics at dimensionless temperature $θ$. The spins have a coupling constant proportional to the oscillator position. The oscillator-spin interaction produces a second order phase transition at $θ=1$ with the oscillator position as its order parameter: the equilibrium position is zero for $θ>1$ and non-zero for $θ< 1$. For $θ<1$, the dynamics of this system is quite different from relaxation to equilibrium. For most initial conditions, the oscillator position performs modulated oscillations about one of the stable equilibrium positions with a long relaxation time. For random initial conditions and a sufficiently large spin system, the unstable zero position of the oscillator is stabilized after a relaxation time proportional to $θ$. If the spin system is smaller, the situation is the same until the oscillator position is close to zero, then it crosses over to a neighborhood of a stable equilibrium position about which keeps oscillating for an exponentially long relaxation time. These results of stochastic simulations are predicted by modulation equations obtained from a multiple scale analysis of macroscopic equations.

cond-mat.stat-mech↗

Two mini-band model for self-sustained oscillations of the current through resonant tunneling semiconductor superlattices

A two miniband model for electron transport in semiconductor superlattices that includes scattering and interminiband tunnelling is proposed. The model is formulated in terms of Wigner functions in a basis spanned by Pauli matrices, includes electron-electron scattering in the Hartree approximation and modified Bhatnagar-Gross-Krook collision tems. For strong applied fields, balance equations for the electric field and the miniband populations are derived using a Chapman-Enskog perturbation technique. These equations are then solved numerically for a dc voltage biased superlattice. Results include self-sustained current oscillations due to repeated nucleation of electric field pulses at the injecting contact region and their motion towards the collector. Numerical reconstruction of the Wigner functions shows that the miniband with higher energy is empty during most of the oscillation period: it becomes populated only when the local electric field (corresponding to the passing pulse) is sufficiently large to trigger resonant tunneling.

cond-mat.mes-hall↗

Phase transitions in a mechanical system coupled to Glauber spins

A harmonic oscillator linearly coupled with a linear chain of Ising spins is investigated. The $N$ spins in the chain interact with their nearest neighbours with a coupling constant proportional to the oscillator position and to $N^{-1/2}$, are in contact with a thermal bath at temperature $T$, and evolve under Glauber dynamics. The oscillator position is a stochastic process due to the oscillator-spin interaction which produces drastic changes in the equilibrium behaviour and the dynamics of the oscillator. Firstly, there is a second order phase transition at a critical temperature $T_c$ whose order parameter is the oscillator stable rest position: this position is zero above $T_c$ and different from zero below $T_c$. This transition appears because the oscillator moves in an effective potential equal to the harmonic term plus the free energy of the spin system at fixed oscillator position. Secondly, assuming fast spin relaxation (compared to the oscillator natural period), the oscillator dynamical behaviour is described by an effective equation containing a nonlinear friction term that drives the oscillator towards the stable equilibrium state of the effective potential. The analytical results are compared with numerical simulation throughout the paper.

cond-mat.stat-mech↗

Photo-excited semiconductor superlattices as constrained excitable media: Motion of dipole domains and current self-oscillations

A model for charge transport in undoped, photo-excited semiconductor superlattices, which includes the dependence of the electron-hole recombination on the electric field and on the photo-excitation intensity through the field-dependent recombination coefficient, is proposed and analyzed. Under dc voltage bias and high photo-excitation intensities, there appear self-sustained oscillations of the current due to a repeated homogeneous nucleation of a number of charge dipole waves inside the superlattice. In contrast to the case of a constant recombination coefficient, nucleated dipole waves can split for a field-dependent recombination coefficient in two oppositely moving dipoles. The key for understanding these unusual properties is that these superlattices have a unique static electric-field domain. At the same time, their dynamical behavior is akin to the one of an extended excitable system: an appropriate finite disturbance of the unique stable fixed point may cause a large excursion in phase space before returning to the stable state and trigger pulses and wave trains. The voltage bias constraint causes new waves to be nucleated when old ones reach the contact.

cond-mat.mes-hall↗

Magnetoswitching of current oscillations in diluted magnetic semiconductor nanostructures

Strongly nonlinear transport through Diluted Magnetic Semiconductor multiquantum wells occurs due to the interplay between confinement, Coulomb and exchange interaction. Nonlinear effects include the appearance of spin polarized stationary states and self-sustained current oscillations as possible stable states of the nanostructure, depending on its configuration and control parameters such as voltage bias and level splitting due to an external magnetic field. Oscillatory regions grow in size with well number and level splitting. A systematic analysis of the charge and spin response to voltage and magnetic field switching of II-VI Diluted Magnetic Semiconductor multiquantum wells is carried out. The description of stationary and time-periodic spin polarized states, the transitions between them and the responses to voltage or magnetic field switching have great importance due to the potential implementation of spintronic devices based on these nanostructures.

cond-mat.mes-hall↗

Self-sustained current oscillations in the kinetic theory of semiconductor superlattices

We present the first numerical solutions of a kinetic theory description of self-sustained current oscillations in n-doped semiconductor superlattices. The governing equation is a single-miniband Boltzmann-Poisson transport equation with a BGK (Bhatnagar-Gross-Krook) collision term. Appropriate boundary conditions for the distribution function describe electron injection in the contact regions. These conditions seamlessly become Ohm's law at the injecting contact and the zero charge boundary condition at the receiving contact when integrated over the wave vector. The time-dependent model is numerically solved for the distribution function by using the deterministic Weighted Particle Method. Numerical simulations are used to ascertain the convergence of the method. The numerical results confirm the validity of the Chapman-Enskog perturbation method used previously to derive generalized drift-diffusion equations for high electric fields because they agree very well with numerical solutions thereof.

cond-mat.mes-hall↗

Toy nanoindentation model and incipient plasticity

A toy model of two dimensional nanoindentation in finite crystals is proposed. The crystal is described by periodized discrete elasticity whereas the indenter is a rigid strain field of triangular shape representing a hard knife-like indenter. Analysis of the model shows that there are a number of discontinuities in the load vs penetration depth plot which correspond to the creation of dislocation loops. The stress vs depth bifurcation diagram of the model reveals multistable stationary solutions that appear as the dislocation-free branch of solutions develops turning points for increasing stress. Dynamical simulations show that an increment of the applied load leads to nucleation of dislocation loops below the nanoindenter tip. Such dislocations travel inside the bulk of the crystal and accommodate at a certain depth in the sample. In agreement with experiments, hysteresis is observed if the stress is decreased after the first dislocation loop is created. Critical stress values for loop creation and their final location at equilibrium are calculated.

cond-mat.mtrl-sci↗

Theory of surface deposition from boundary layers containing condensable vapour and particles

Heterogeneous condensation of vapours mixed with a carrier gas in the stagnation point boundary layer flow near a cold wall is considered in the presence of solid particles much larger than the mean free path of vapour particles. The supersaturated vapour condenses on the particles by diffusion and particles and droplets are thermophoretically attracted to the wall. Assuming that the heat of vaporization is much larger than the Boltzmann constant times the temperature far from the wall, vapour condensation occurs in a {\em condensation layer} (CL). The CL width and characteristics depend on the parameters of the problem, and a parameter $R$ yielding the rate of vapour scavenging by solid particles is particularly important. Assuming that the CL is so narrow that temperature, particle density and velocity do not change appreciably inside it, an asymptotic theory is found, the $δ$-CL theory, that approximates very well the vapour and droplet profiles, the dew point shift and the deposition rates at the wall for wide ranges of the wall temperature $\tilde{T}_{w}$ and the scavenging parameter $R$. This theory breaks down for $\tilde{T}_{w}$ very close to the maximum temperature yielding non-zero droplet deposition rate, $\tilde{T}_{w,M}$. For large $R$, we can either assume that the width of the CL is zero (0-CL theory, then the vapour density reaches local equilibrium with the condensate immediately after it enters the dew surface), or use a nonlinear multiple scales theory. The 0-CL theory corrects the $δ$-CL theory for $\tilde{T}_w$ very close to $\tilde{T}_{w,M}$ and any $R$, whereas the multiple scales theory is appropriate for large and moderate $R$.

cond-mat.other↗

Nonlinear electron and spin transport in semiconductor superlattices

Nonlinear charge transport in strongly coupled semiconductor superlattices is described by Wigner-Poisson kinetic equations involving one or two minibands. Electron-electron collisions are treated within the Hartree approximation whereas other inelastic collisions are described by a modified BGK (Bhatnaghar-Gross-Krook) model. The hyperbolic limit is such that the collision frequencies are of the same order as the Bloch frequencies due to the electric field and the corresponding terms in the kinetic equation are dominant. In this limit, spatially nonlocal drift-diffusion balance equations for the miniband populations and the electric field are derived by means of the Chapman-Enskog perturbation technique. For a lateral superlattice with spin-orbit interaction, electrons with spin up or down have different energies and their corresponding drift-diffusion equations can be used to calculate spin-polarized currents and electron spin polarization. Numerical solutions show stable self-sustained oscillations of the current and the spin polarization through a voltage biased lateral superlattice thereby providing an example of superlattice spin oscillator.

cond-mat.mes-hall↗

Periodized discrete elasticity models for defects in graphene

The cores of edge dislocations, edge dislocation dipoles and edge dislocation loops in planar graphene have been studied by means of periodized discrete elasticity models. To build these models, we have found a way to discretize linear elasticity on a planar hexagonal lattice using combinations of difference operators that do not involve symmetrically all the neighbors of an atom. At zero temperature, dynamically stable cores of edge dislocations may be heptagon-pentagon pairs (glide dislocations) or octagons (shuffle dislocations) depending on the choice of initial configuration. Possible cores of edge dislocation dipoles are vacancies, pentagon-octagon-pentagon divacancies, Stone-Wales defects and 7-5-5-7 defects. While symmetric vacancies, divacancies and 7-5-5-7 defects are dynamically stable, asymmetric vacancies and 5-7-7-5 Stone-Wales defects seem to be unstable.

cond-mat.mtrl-sci↗