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J. F. R. Archilla

Publications and source records attributed to J. F. R. Archilla.

At least 19 recordsLinked to original sources
arXiv2015

Rate theory of acceleration of the defect annealing driven by discrete breathers

Novel mechanisms of defect annealing in solids are discussed, which are based on the large amplitude anharmonic lattice vibrations, a.k.a. intrinsic localized modes or discrete breathers (DBs). A model for amplification of defect annealing rate in Ge by low energy plasma-generated DBs is proposed, in which, based on recent atomistic modelling, it is assumed that DBs can excite atoms around defects rather strongly, giving them energy $\gg k_BT$ for $\sim$100 oscillation periods. This is shown to result in the amplification of the annealing rates proportional to the DB flux, i.e. to the flux of ions (or energetic atoms) impinging at the Ge surface from inductively coupled plasma (ICP)

cond-mat.mtrl-sci↗
arXiv2015

A supersonic crowdion in mica: Ultradiscrete kinks with energy between $^{40}$K recoil and transmission sputtering

In this chapter we analyze in detail the behaviour and properties of the kinks found in an one dimensional model for the close packed rows of potassium ions in mica muscovite. The model includes realistic potentials obtained from the physics of the problem, ion bombardment experiments and molecular dynamics fitted to experiments. These kinks are supersonic and have an unique velocity and energy. They are ultradiscrete involving the translation of an interstitial ion, which is the reason they are called 'crowdions'. Their energy is below the most probable source of energy, the decay of the $^{40}$K isotope and above the energy needed to eject an atom from the mineral, a phenomenon that has been observed experimentally

nlin.PS↗
arXiv2015

Experimental observation of moving intrinsic localized modes in germanium

Deep level transient spectroscopy shows that defects created by alpha irradiation of germanium are annealed by low energy plasma ions up to a depth of several thousand lattice units. The plasma ions have energies of 2-8eV and therefore can deliver energies of the order of a few eV to the germanium atoms. The most abundant defect is identified as the E-center, a complex of the dopant antimony and a vacancy with and annealing energy of 1.3eV as determined by our measurements. The inductively coupled plasma has a very low density and a very low flux of ions. This implies that the ion impacts are almost isolated both in time and at the surface of the semiconductor. We conclude that energy of the order of an eV is able to travel a large distance in germanium in a localized way and is delivered to the defects effectively. The most likely candidates are vibrational nonlinear wave packets known as intrinsic localized modes, which exist for a limited range of energies. This property is coherent with the fact that more energetic ions are less efficient at producing the annealing effect.

cond-mat.mtrl-sci↗
arXiv2010

Stability of non-time-reversible phonobreathers

Non-time reversible phonobreathers are non-linear waves that can transport energy in coupled oscillator chains by means of a phase-torsion mechanism. In this paper, the stability properties of these structures have been considered. It has been performed an analytical study for low-coupling solutions based upon the so called {\em multibreather stability theorem} previously developed by some of the authors [Physica D {\bf 180} 235]. A numerical analysis confirms the analytical predictions and gives a detailed picture of the existence and stability properties for arbitrary frequency and coupling.

nlin.PS↗
arXiv2010

Reaction rate theory with account of the crystal anharmonicity

Reaction rate theory in solids is modified taking into account intrinsic localized modes or discrete breathers (DBs) that can appear in crystals with sufficient anharmonicity resulting in violation of Arrhenius law. Large amplitude oscillations of atoms about their equilibrium positions in the lattice cause local potentials of alternating sign, which are described in terms of time-periodic modulations of the potential barriers for chemical reactions taking place in the vicinity of DBs. The reaction rate averaged over large macroscopic volumes and times including a lot of DBs is increased by a factor that depends on the DB statistics. The breather statistics in thermal equilibrium and in thermal spikes in solids under irradiation with swift particles is considered, and the corresponding reaction rate amplification factors are derived.

cond-mat.other↗
arXiv2010

Multibreather and vortex breather stability in Klein--Gordon lattices: Equivalence between two different approaches

In this work, we revisit the question of stability of multibreather configurations, i.e., discrete breathers with multiple excited sites at the anti-continuum limit of uncoupled oscillators. We present two methods that yield quantitative predictions about the Floquet multipliers of the linear stability analysis around such exponentially localized in space, time-periodic orbits, based on the Aubry band method and the MacKay effective Hamiltonian method and prove that their conclusions are equivalent. Subsequently, we showcase the usefulness of the methods by a series of case examples including one-dimensional multi-breathers, and two-dimensional vortex breathers in the case of a lattice of linearly coupled oscillators with the Morse potential and in that of the discrete $ϕ^4$ model.

nlin.PS↗
arXiv2007

Discrete moving breather collisions in a Klein-Gordon chain of oscillators

We study collision processes of moving breathers with the same frequency, traveling with opposite directions within a Klein-Gordon chain of oscillators. Two types of collisions have been analyzed: symmetric and non-symmetric, head-on collisions. For low enough frequency the outcome is strongly dependent of the dynamical states of the two colliding breathers just before the collision. For symmetric collisions, several results can be observed: breather generation, with the formation of a trapped breather and two new moving breathers; breather reflection; generation of two new moving breathers; and breather fusion bringing about a trapped breather. For non-symmetric collisions the possible results are: breather generation, with the formation of three new moving breathers; breather fusion, originating a new moving breather; breather trapping with also breather reflection; generation of two new moving breathers; and two new moving breathers traveling as a ligand state. Breather annihilation has never been observed.

nlin.PS↗
arXiv2006

Discrete breathers for understanding reconstructive mineral processes at low temperatures

Reconstructive transformations in layered silicates need a high tem- perature in order to be observed. However, very recently, some systems have been found where transformation can be studied at temperatures 600 C below the lowest experimental results previously reported, including sol-gel methods. We explore the possible relation with the existence of intrinsic localized modes, known as discrete breathers. We construct a model for nonlinear vibrations within the cation layer, obtain their parameters and calculate them numerically, obtaining their energies. Their statistics shows that although there are far less breathers than phonons, there are much more above the activation energy, being therefore a good candidate to explain the reconstructive transformations at low temperature.

nlin.PS↗
arXiv2006

Breather trapping and breather transmission in a DNA model with an interface

We study the dynamics of moving discrete breathers in an interfaced piecewise DNA molecule. This is a DNA chain in which all the base pairs are identical and there exists an interface such that the base pairs dipole moments at each side are oriented in opposite directions. The Hamiltonian of the Peyrard--Bishop model is augmented with a term that includes the dipole--dipole coupling between base pairs. Numerical simulations show the existence of two dynamical regimes. If the translational kinetic energy of a moving breather launched towards the interface is below a critical value, it is trapped in a region around the interface collecting vibrational energy. For an energy larger than the critical value, the breather is transmitted and continues travelling along the double strand with lower velocity. Reflection phenomena never occur. The same study has been carried out when a single dipole is oriented in opposite direction to the other ones. When moving breathers collide with the single inverted dipole, the same effects appear. These results emphasize the importance of this simple type of local inhomogeneity as it creates a mechanism for the trapping of energy. Finally, the simulations show that, under favorable conditions, several launched moving breathers can be trapped successively at the interface region producing an accumulation of vibrational energy. Moreover, an additional colliding moving breather can produce a saturation of energy and a moving breather with all the accumulated energy is transmitted to the chain.

nlin.PS↗
arXiv2005

Interaction of moving discrete breathers with vacancies

In this paper a Frenkel--Kontorova model with a nonlinear interaction potential is used to describe a vacancy defect in a crystal. According to recent numerical results [Cuevas et al, Phys. Lett. A 315, 364 (2003)] the vacancy can migrate when it interacts with a moving breather. We study more thoroughly the phenomenology caused by the interaction of moving breathers with a single vacancy and also with double vacancies. We show that vacancy mobility is strongly correlated with the existence and stability properties of stationary breathers centered at the particles adjacent to the vacancy, which we will now call vacancy breathers.

nlin.PS↗
arXiv2005

Classical and quantum nonlinear localized excitations in discrete systems

Discrete breathers, or intrinsic localized modes, are spatially localized, time--periodic, nonlinear excitations that can exist and propagate in systems of coupled dynamical units. Recently, some experiments show the sighting of a form of discrete breather that exist at the atomic scale in a magnetic solid. Other observations of breathers refer to systems such as Josephson--junction arrays, photonic crystals and optical-switching waveguide arrays. All these observations underscore their importance in physical phenomena at all scales. The authors review some of their latest theoretical contributions in the field of classical and quantum breathers, with possible applications to these widely different physical systems and to many other such as DNA, proteins, quantum dots, quantum computing, etc.

nlin.PS↗
arXiv2004

Crystal structures and proton dynamics in potassium and cesium hydrogen bistrifluoroacetate salts with strong symmetric hydrogen bonds

The crystal structures of potassium and cesium bistrifluoroacetates were determined at room temperature and at 20 K and 14 K, respectively, with the single crystal neutron diffraction technique. The crystals belong to the I2/a and A2/a monoclinic space groups, respectively, and there is no visible phase transition. For both crystals, the trifluoroacetate entities form dimers linked by very short hydrogen bonds lying across a centre of inversion. Any proton disorder or double minimum potential can be rejected. The inelastic neutron scattering spectral profiles in the OH stretching region between 500 and 1000 cm^{-1} previously published [Fillaux and Tomkinson, Chem. Phys. 158 (1991) 113] are reanalyzed. The best fitting potential has the major characteristics already reported for potassium hydrogen maleate [Fillaux et al. Chem. Phys. 244 (1999) 387]. It is composed of a narrow well containing the ground state and a shallow upper part corresponding to dissociation of the hydrogen bond.

physics.chem-ph↗
arXiv2004

Modeling the thermal evolution of enzyme-created bubbles in DNA

The formation of bubbles in nucleic acids (NAs) are fundamental in many biological processes such as DNA replication, recombination, telomeres formation, nucleotide excision repair, as well as RNA transcription and splicing. These precesses are carried out by assembled complexes with enzymes that separate selected regions of NAs. Within the frame of a nonlinear dynamics approach we model the structure of the DNA duplex by a nonlinear network of coupled oscillators. We show that in fact from certain local structural distortions there originate oscillating localized patterns, that is radial and torsional breathers, which are associated with localized H-bond deformations, being reminiscent of the replication bubble. We further study the temperature dependence of these oscillating bubbles. To this aim the underlying nonlinear oscillator network of the DNA duplex is brought in contact with a heat bath using the Nos$\rm{\acute{e}}$-Hoover-method. Special attention is paid to the stability of the oscillating bubbles under the imposed thermal perturbations. It is demonstrated that the radial and torsional breathers, sustain the impact of thermal perturbations even at temperatures as high as room temperature. Generally, for nonzero temperature the H-bond breathers move coherently along the double chain whereas at T=0 standing radial and torsional breathers result.

q-bio.BM↗
arXiv2004

Moving breathers in bent DNA with realistic parameters

Recent papers have considered moving breathers (MBs) in DNA models including long range interaction due to the dipole moments of the hydrogen bonds. We have recalculated the value of the charge transfer when hydrogen bonds stretch using quantum chemical methods which takes into account the whole nucleoside pairs. We explore the consequences of this value on the properties of MBs, including the range of frequencies for which they exist and their effective masses. They are able to travel through bending points with fairly large curvatures provided that their kinetic energy is larger than a minimum energy which depends on the curvature. These energies and the corresponding velocities are also calculated in function of the curvature.

nlin.PS↗
arXiv2004

Effect of the Introduction of Impurities on the Stability Properties of Multibreathers at Low Coupling

sing a theorem dubbed the {\em Multibreather Stabiliy Theorem} [Physica D 180 (2003) 235-255] we have obtained the stability properties of multibreathers in systems of coupled oscillators with on-site potentials, with an inhomogeneity. Analytical results are obtained for 2-site, 3-site breathers, multibreathers, phonobreathers and dark breathers. The inhomogeneity is considered both at the on-site potential and at the coupling terms. All the results have been checked numerically with excellent agreement. The main conclusion is that the introduction of a impurity does not alter the stability properties.

nlin.PS↗
arXiv2004

Bright and dark breathers in Fermi-Pasta-Ulam lattices

In this paper we study the existence and linear stability of bright and dark breathers in one-dimensional FPU lattices. On the one hand, we test the range of validity of a recent breathers existence proof [G. James, {\em C. R. Acad. Sci. Paris}, 332, Ser. 1, pp. 581 (2001)] using numerical computations. Approximate analytical expressions for small amplitude bright and dark breathers are found to fit very well exact numerical solutions even far from the top of the phonon band. On the other hand, we study numerically large amplitude breathers non predicted in the above cited reference. In particular, for a class of asymmetric FPU potentials we find an energy threshold for the existence of exact discrete breathers, which is a relatively unexplored phenomenon in one-dimensional lattices. Bright and dark breathers superposed on a uniformly stressed static configuration are also investigated.

nlin.PS↗
arXiv2003

Effect of base-pair inhomogeneities on charge transport along DNA mediated by twist and radial polarons

Some recent results for a three--dimensional, semi--classical, tight--binding model for DNA show that there are two types of polarons, named radial and twist polarons, that can transport charge along the DNA molecule. However, the existence of two types of base pairs in real DNA, makes it crucial to find out if charge transport also exist in DNA chains with different base pairs. In this paper we address this problem in its simple case, an homogeneous chain except for a single different base pair, what we call a base-pair inhomogeneity, and its effect on charge transport. Radial polarons experience either reflection or trapping. However, twist polarons are good candidates for charge transport along real DNA. This transport is also very robust with respect to weak parametric and diagonal disorder.

nlin.PS↗