Electron-scale electrostatic solitary waves and shocks: the role of superthermal electrons

The propagation of electron-acoustic solitary waves and shock structures is investigated in a plasma characterized by a superthermal electron population. A three-component plasma model configuration is employed, consisting of inertial (“cold”) electrons, inertialess κ (kappa) distributed superthermal (“hot”) electrons and stationary ions. A multiscale method is employed, leading to a Korteweg-de Vries (KdV) equation for the electrostatic potential (in the absence of dissipation). Taking into account dissipation, a hybrid Korteweg-de Vries-Burgers (KdVB) equation is derived. Exact negative-potential pulse- and kink-shaped solutions (shocks) are obtained. The relative strength among dispersion, nonlinearity and damping coefficients is discussed. Excitations formed in superthermal plasma (finite κ) are narrower and steeper, compared to the Maxwellian case (infinite κ). A series of numerical simulations confirms that energy initially stored in a solitary pulse which propagates in a stable manner for large κ (Maxwellian plasma) may break down to smaller structures or/and to random oscillations, when it encounters a small-κ (nonthermal) region. On the other hand, shock structures used as initial conditions for numerical simulations were shown to be robust, essentially responding to changed in the environment by a simple profile change (in width).     

The role of cardiac tissue structure in defibrillation

The purpose of this paper is to investigate the relationship between cardiac tissue structure, applied electric field, and the transmembrane potential induced in the process of defibrillation. It outlines a general understanding of the structural mechanisms that contribute to the outcome of a defibrillation shock. Electric shocks defibrillate by changing the transmembrane potential throughout the myocardium. In this process first and foremost the shock current must access the bulk of myocardial mass. The exogenous current traverses the myocardium along convoluted intracellular and extracellular pathways channeled by the tissue structure. Since individual fibers follow curved pathways in the heart, and the fiber direction rotates across the ventricular wall, the applied current perpetually engages in redistribution between the intra- and extracellular domains. This redistribution results in changes in transmembrane potential (membrane polarization): regions of membrane hyper- and depolarization of extent larger than a single cell are induced in the myocardium by the defibrillation shock. Tissue inhomogeneities also contribute to local membrane polarization in the myocardium which is superimposed over the large-scale polarization associated with the fibrous organization of the myocardium. The paper presents simulation results that illustrate various mechanisms by which cardiac tissue structure assists the changes in transmembrane potential throughout the myocardium. (c) 1998 American Institute of Physics.     

Multiscale modeling of graphene- and nanotube-based reinforced polymer nanocomposites

A combination of molecular dynamics, molecular structural mechanics, and finite element method is employed to compute the elastic constants of a polymeric nanocomposite embedded with graphene sheets, and carbon nanotubes. The model is first applied to study the effect of inclusion of graphene sheets on the Young modulus of the composite. To explore the significance of the nanofiller geometry, the elastic constants of nanotube-based and graphene-based polymer composites are computed under identical conditions. The reinforcement role of these nanofillers is also investigated in transverse directions. Moreover, the dependence of the nanocomposite?s axial Young modulus on the presence of ripples on the surface of the embedded graphene sheets, due to thermal fluctuations, is examined via MD simulations. Finally, we have also studied the effect of sliding motion of graphene layers on the elastic constants of the nanocomposite.     

Multiscale modeling of the magneto-mechanical behavior of grain-oriented silicon steels

The prediction of the magnetic and magnetostrictive behavior of grain-oriented (GO) silicon steels is discussed. An experimental procedure for the measurement of the magneto-mechanical quantities is first detailed. Experimental measurements of the anhysteretic magnetization and magnetostriction are compared to results from the literature. A multiscale model, based on an energetic approach and infinite medium hypothesis, is used. Significant discrepancies between experiments and predictions are highlighted. The specimen shape combined to large grain size induces some strong boundary (surface) conditions leading to a change in the definition of the local potential energy. A specific demagnetizing term is introduced in the definition of the potential energy, creating an initial heterogeneous distribution of the magnetic domains and saturating the magnetostriction along the rolling direction. This modification strongly increases the ability of the model to predict the magneto-mechanical behavior of GO steels.     

Multiscale modeling of the surfactant mediated synthesis and supramolecular assembly of cobalt nanodots

Multiscale simulations are used to bridge the surfactant templated assembly of individual approximately 1-10 nm cobalt dots, to their ordering into supramolecular arrays. Potential energy surfaces derived from ab initio calculations are input to lattice Monte Carlo simulations at atomic scales. By this process we quantitatively reproduce the experimental cobalt nanoparticle sizes. Crucially, we find that there is an effective short range attraction between pairs of nanodots. Mesoscale simulations show that these attractive interdot potentials are so short ranged that the dots can assemble only into orientally ordered hexatic phases as in the experiments.     

Combined expectancies: electrophysiological evidence for the adjustment of expectancy effects

Background  

When subjects use cues to prepare for a likely stimulus or a likely response, reaction times are facilitated by valid cues but prolonged by invalid cues. In studies on combined expectancy effects, two cues can independently give information regarding two dimensions of the forthcoming task. In certain situations, cueing effects on one dimension are reduced when the cue on the other dimension is invalid. According to the Adjusted Expectancy Model, cues affect different processing levels and a mechanism is presumed which is sensitive to the validity of early level cues and leads to online adjustment of expectancy effects at later levels. To examine the predictions of this model cueing of stimulus modality was combined with response cueing.     

Hybrid modeling of electrical and optical behavior in the heart

Optical mapping of transmembrane potential using voltage-sensitive dyes has revolutionized cardiac electrophysiology by enabling the visualization of electrical excitation waves in the heart. However, the interpretation of the optical mapping data is complicated by the fact that the optical signal arises not just from the surface, but also from some depth into the heart wall. Here, we review modeling efforts, in which the diffusion of photons is incorporated into the computer simulations of cardiac electrical activity (“hybrid” modeling), with the goal of improving our understanding of optical signals. We discuss the major accomplishments of hybrid modeling which include: (i) the explanation of the optical action potential upstroke morphology and prediction of its dependence on the subsurface wave front angle, (ii) the unexpectedly low magnitudes of optically recorded surface potentials during electrical shocks, and (iii) the “depolarization” of the core of the spiral wave and odd dual-humped optical action potentials during reentrant activation. We critically examine current optical mapping techniques and controversies in our understanding of electroporation during defibrillation. Finally, we provide a brief overview of recent theoretical studies aimed at extending optical mapping techniques for imaging intramural excitation to include transillumination imaging of scroll wave filaments and depth-resolved optical tomographic methods.     

Multiscale modeling of electronic excitations in branched conjugated molecules using an exciton scattering approach

The exciton scattering (ES) approach attributes excited electronic states in quasi-1D branched polymer molecules to standing waves of quantum quasiparticles (excitons) scattered at the molecular vertices. We extract their dispersion and frequency-dependent scattering matrices at termini, ortho, and meta joints for pi-conjugated phenylacetylene-based molecules from atomistic time-dependent density-functional theory (TD DFT) calculations. This allows electronic spectra for any structure of arbitrary size within the considered molecular family to be obtained with negligible numerical effort. The agreement is within 10-20 meV for all test cases, when comparing the ES results with the reference TD DFT calculations.     

Array-enhanced coherence resonance: nontrivial effects of heterogeneity and spatial independence of noise

We demonstrate the effect of coherence resonance in a heterogeneous array of coupled Fitz Hugh-Nagumo neurons. It is shown that coupling of such elements leads to a significantly stronger coherence compared to that of a single element. We report nontrivial effects of parameter heterogeneity and spatial independence of noise on array-enhanced coherence resonance; especially, we find that (i) the coherence increases as spatial correlation of the noise decreases, and (ii) inhomogeneity in the parameters of the array enhances the coherence. Our results have the implication that generic heterogeneity and background noise can play a constructive role to enhance the time precision of firing in neural systems.     

Multiscale modeling of the effect of carbon nanotube orientation on the shear deformation properties of reinforced polymer-based composites

A combination of molecular dynamics (MD), continuum elasticity and FEM is used to predict the effect of CNT orientation on the shear modulus of SWCNT-polymer nanocomposites. We first develop a transverse-isotropic elastic model of SWCNTs based on the continuum elasticity and MD to compute the transverse-isotropic elastic constants of SWCNTs. These constants are then used in an FEM-based simulation to investigate the effect of SWCNT alignment on the shear modulus of nanocomposites. Furthermore, shear stress distributions along the nanotube axis and over its cross-sectional area are investigated to study the effect of CNT orientation on the shear load transfer.     

Multiscale modeling of nanoindentation in copper thin films via the concurrent coupling of the meshless Hermite-Cloud method with molecular dynamics

This paper investigates the 2D nanoindentation of a copper thin film using a concurrent multiscale method. The method uses molecular dynamics (MD) simulation in the atomistic region, the strong-form meshless Hermite-Cloud method in the continuum region and a handshaking algorithm to concurrently couple them. A fully atomistic simulation is also carried out to validate the multiscale method. The results, namely the load versus indentation depth graph obtained from the multiscale method shows only slight quantitative variation from that of the full atomistic model. More importantly, the graphs from both simulations show a similar trend thus validating the 2D multiscale method. The displacement profile without discontinuities further supports the efficiency of the multiscale method in ensuring smooth exchange of information between the atomistic and continuum domains. The material properties extracted from the simulation include the force/unit length values obtained by dividing the maximum load on the indenter by its contact perimeter, instead of the hardness value obtained in 3D simulations. By restricting the atomic scale detail to the critical regions beneath the indenter, the multiscale method effectively saves computational resources to more than one order (close to 13 times less for this problem), thus making it feasible to simulate problems of larger dimensions that are not amenable to complete atomistic simulations.     

The effects of neuron heterogeneity and connection mechanism in cortical networks

The mammalian cortices show an specific architecture close to the optimum, represented by the high clustering, short processing steps and short wiring length. What are the key factors that influence the layout of neural connectivity networks? Here a model to investigate the conditions leading to the small-world cortical networks with minimal global wiring is presented. The essential factors in this model are the introductions of the unequal number distribution of heterogeneous neurons and two connection mechanisms, the preferential attachment to neurons with large spatial coverage (PANLSC) and distance preference. Outcomes show that the specific architecture close to the optimum can only result from the PANLSC when the number distribution of neurons with diverse spatial coverage is highly unequal. This suggests the PANLSC may be an important connection mechanism in cortical systems.     

Analysis and modeling of piano sustain-pedal effects

This paper describes the main features of the sustain-pedal effect in the piano through signal analysis and presents an algorithm for simulating the effect. The sustain pedal is found to increase the decay time of partials in the middle range of the keyboard, but this effect is not observed in the case of the bass and treble tones. The amplitude beating characteristics of piano tones are measured with and without the sustain pedal engaged, and amplitude envelopes of partial overtone decay are estimated and displayed. It is found that the usage of the sustain pedal introduces interesting distortions of the two-stage decay. The string register response was investigated by removing partials from recorded tones; it was observed that as the string register is free to vibrate, the amount of sympathetic vibrations is increased. The synthesis algorithm, which simulates the string register, is based on 12 string models that correspond to the lowest tones of the piano. The algorithm has been tested with recorded piano tones without the sustain pedal. The objective and subjective results show that the algorithm is able to approximately reproduce the main features of the sustain-pedal effect.     

Multiscale approach to radiation damage induced by ion beams: complex DNA damage and effects of thermal spikes

We present the latest advances of the multiscale approach to radiation damage caused by irradiation of a tissue with energetic ions and report the calculations of complex DNA damage and the effects of thermal spikes on biomolecules. The multiscale approach aims to quantify the most important physical, chemical, and biological phenomena taking place during and following irradiation with ions and provide a better means for clinically-necessary calculations with adequate accuracy. We suggest a way of quantifying the complex clustered damage, one of the most important features of the radiation damage caused by ions. This quantification allows the studying of how the clusterization of DNA lesions affects the lethality of damage. We discuss the first results of molecular dynamics simulations of ubiquitin in the environment of thermal spikes, predicted to occur in tissue for a short time after an ion’s passage in the vicinity of the ions’ tracks.     

3D modeling of discrete impurity effects in silicon quantum dots: energy level spacing and scarring effects

We present simulation results obtained using a 3D coupled Schrödinger–Poisson equation solver. Of special interest in this work were the effects that discrete impurities have on the energy spectra in the dot and how these effects can be used to better explain conductance peaks observed in experimental measurements. We also explored the behavior of the energy level separations in the closed quantum dot system, observing indications of the onset of chaos.     

Weak solution for the Hele-Shaw problem: Viscous shocks and singularities

In Hele-Shaw flows, a boundary of a viscous fluid develops unstable fingering patterns. At vanishing surface tension, fingers evolve to cusp-like singularities preventing a smooth flow. We show that the Hele-Shaw problem admits a weak solution where a singularity triggers viscous shocks. Shocks form a growing, branching tree of a line distribution of vorticity where pressure has a finite discontinuity. A condition that the flow remains curl-free at a macroscale uniquely determines the shock graph structure. We present a self-similar solution describing shocks emerging from a generic (2, 3)-cusp singularity—an elementary branching event of a branching shock graph.     

Identification of syllables in noise: electrophysiological and behavioral correlates

This study was designed to characterize the effect of background noise on the identification of syllables using behavioral and electrophysiological measures. Twenty normal-hearing adults (18-30 years) performed an identification task in a two-alternative forced-choice paradigm. Stimuli consisted of naturally produced syllables [da] and [ga] embedded in white noise. The noise was initiated 1000 ms before the onset of the speech stimuli in order to separate the auditory event related potentials (AERP) response to noise onset from that to the speech. Syllables were presented in quiet and in five SNRs: +15, +3, 0, -3, and -6 dB. Results show that (1) performance accuracy, d', and reaction time were affected by the noise, more so for reaction time; (2) both N1 and P3 latency were prolonged as noise levels increased, more so for P3; (3) [ga] was better identified than [da], in all noise conditions; and (4) P3 latency was longer for [da] than for [ga] for SNR 0 through -6 dB, while N1 latency was longer for [ga] than for [da] in most listening conditions. In conclusion, the unique stimuli structure utilized in this study demonstrated the effects of noise on speech recognition at both the physical and the perceptual processing levels.     

Observations and modeling of deterministic properties of human heart rate variability

Simple models show that in Type-I intermittency a characteristic U-shaped probability distribution is obtained for the laminar phase length. The laminar phase length distribution characteristic for Type-I intermittency may be obtained in human heart rate variability data for some cases of pathology. The heart and its regulatory systems are presumed to be both noisy and non-stationary. Although the effect of additive noise on the laminar phase distribution in Type-I intermittency is well-known, the effect of neither multiplicative noise nor non-stationarity have been studied. We first discuss the properties of two classes of models of Type-I intermittency: (a) the control parameter of the logistic map is changed dichotomously from a value within the intermittency range to just below the bifurcation point and back; (b) the control parameter is changed randomly within the same parameter range as in the model class (a). We show that the properties of both models are different from those obtained for Type-I intermittency in the presence of additive noise. The two models help to explain some of the features seen in the intermittency in human heart rate variability.