The role of temperature and anisotropy of the applied load in the pressure–induced transformations of α-cristobalite is investigated by means of first principles molecular dynamics combined with the metadynamics alg...
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The role of temperature and anisotropy of the applied load in the pressure–induced transformations of α-cristobalite is investigated by means of first principles molecular dynamics combined with the metadynamics algorithm for the study of solid-solid phase transitions. We reproduce the transition to α−PbO2 as found in experiments and we observe that the transition paths are qualitatively different and yield different products when a nonhydrostatic load is applied, giving rise to a new class of metastable structures with mixed tetrahedral and octahedral coordination.
Recent studies have shown that the synchronizability of complex networks can be significantly improved by gradient or asymmetric couplings, and increase of the gradient strength could enhance the network synchronizabi...
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Recent studies have shown that the synchronizability of complex networks can be significantly improved by gradient or asymmetric couplings, and increase of the gradient strength could enhance the network synchronizability monotonically. Here we argue and demonstrate that, for a typical complex network, there could be an optimal gradient where the maximum network synchronizability is achieved. That is, large gradient may deteriorate synchronization. We attribute the suppressing effect of gradient coupling to the phenomenon of network breaking and show that, comparing with sparse homogeneous networks, dense heterogeneous networks suffer less from network breaking and, consequently, benefit more from large gradient in improving synchronization. The findings are supported by indirect simulations of eigenvalue analysis and direct simulations of coupled nonidentical oscillators.
By solving the three-dimensional time-dependent Schrödinger equation, we study how to control the high-order harmonic generation (HHG) in a hydrogenlike neon, which is exposed to an extreme-ultraviolet (xuv) atto...
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By solving the three-dimensional time-dependent Schrödinger equation, we study how to control the high-order harmonic generation (HHG) in a hydrogenlike neon, which is exposed to an extreme-ultraviolet (xuv) attosecond laser pulse followed by an infrared (ir) femtosecond pulse. The xuv pulse prepares the atom as a superposition of the ground state, the excited states, and the continuum. These three types of states provide different contributions to the high-order harmonics generated by the following ir pulse. In particular, the contributions from the excited states and the continuum extend the cutoff frequency of the harmonic spectrum. Moreover, the effect of the carrier-envelope phase of the ir pulse on the HHG has been studied. The structure of the laser-dressed atom can be imaged using this two-color scheme.
Cytoplasmic streaming circulates the contents of large eukaryotic cells, often with complex flow geometries. A largely unanswered question is the significance of these flows for molecular transport and mixing. Motivat...
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Cytoplasmic streaming circulates the contents of large eukaryotic cells, often with complex flow geometries. A largely unanswered question is the significance of these flows for molecular transport and mixing. Motivated by “rotational streaming” in Characean algae, we solve the advection-diffusion dynamics of flow in a cylinder with bidirectional helical forcing at the wall. A circulatory flow transverse to the cylinder’s long axis, akin to Dean vortices at finite Reynolds numbers, arises from the chiral geometry. Strongly enhanced lateral transport and longitudinal homogenization occur if the transverse Péclet number is sufficiently large, with scaling laws arising from boundary layers.
The authors consider the simplest quantum mechanics model of solids, the tight binding model, and prove that in the continuum limit, the energy of tight binding model converges to that of the continuum elasticity mode...
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The authors consider the simplest quantum mechanics model of solids, the tight binding model, and prove that in the continuum limit, the energy of tight binding model converges to that of the continuum elasticity model obtained using Cauchy-Born rule. The technique in this paper is based mainly on spectral perturbation theory for large matrices.
In the first part of this series of two papers, we proposed a theoretical formalism that enables one to model and categorize heterogeneous materials (media) via two-point correlation functions S2 and introduced an eff...
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In the first part of this series of two papers, we proposed a theoretical formalism that enables one to model and categorize heterogeneous materials (media) via two-point correlation functions S2 and introduced an efficient heterogeneous-medium (re)construction algorithm called the “lattice-point” algorithm. Here we discuss the algorithmic details of the lattice-point procedure and an algorithm modification using surface optimization to further speed up the (re)construction process. The importance of the error tolerance, which indicates to what accuracy the media are (re)constructed, is also emphasized and discussed. We apply the algorithm to generate three-dimensional digitized realizations of a Fontainebleau sandstone and a boron-carbide/aluminum composite from the two-dimensional tomographic images of their slices through the materials. To ascertain whether the information contained in S2 is sufficient to capture the salient structural features, we compute the two-point cluster functions of the media, which are superior signatures of the microstructure because they incorporate topological connectedness information. We also study the reconstruction of a binary laser-speckle pattern in two dimensions, in which the algorithm fails to reproduce the pattern accurately. We conclude that in general reconstructions using S2 only work well for heterogeneous materials with single-scale structures. However, two-point information via S2 is not sufficient to accurately model multiscale random media. Moreover, we construct realizations of hypothetical materials with desired structural characteristics obtained by manipulating their two-point correlation functions.
It is evident from a wide range of experimental findings that ion channel gating is inherently stochastic. The issue of “memory effects” (diffusional retardation due to local changes in water viscosity) in ionic flo...
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It is evident from a wide range of experimental findings that ion channel gating is inherently stochastic. The issue of “memory effects” (diffusional retardation due to local changes in water viscosity) in ionic flow has been recently addressed using Brownian dynamics simulations. The results presented indicate such memory effects are negligible, unless the diffusional barrier is much higher than that of free solute. In this paper using differential stochastic methods we conclude that the Markovian property of exponential dwell times gives rise to a high barrier, resulting in diffusional memory effects that cannot be ignored in determining ionic flow through channels. We have addressed this question using a generalized Langevin equation that contains a combination of Markovian and non-Markovian processes with different time scales. This approach afforded the development of an algorithm that describes an oscillatory ionic diffusional sequence. The resulting oscillatory function behavior, with exponential decay, was obtained at the weak non-Markovian limit with two distinct time scales corresponding to the processes of ionic diffusion and drift. This will be analyzed further in future studies using molecular dynamics simulations. We propose that the rise of time scales and memory effects is related to differences of shear viscosity in the cytoplasm and extracellular matrix.
We consider a basic model for two-hop transmissions of two information flows which interfere with each other. In this model, two sources simultaneously transmit to two relays (in the first hop), which then simultaneou...
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We consider a basic model for two-hop transmissions of two information flows which interfere with each other. In this model, two sources simultaneously transmit to two relays (in the first hop), which then simultaneously transmit to two destinations (in the second hop). While the transmission during the first hop is essentially the transmission over a classical interference channel, the transmission in the second hop enjoys an interesting advantage. Specifically, as a byproduct of the Han-Kobayashi transmission scheme applied to the first hop, each of the relays (in the second hop) has access to some of the data that is intended to the other destination, in addition to its own data. As recently observed by Simeone et al., this opens the door to cooperation between the relays. In this paper, we observe that the cooperation can take the form of distributed MIMO broadcast, thus greatly enhancing its effectiveness at high SNR. However, since each relay is only aware of part of the data beyond its own, full cooperation is not possible. We propose several approaches that combine MIMO broadcast strategies (including ldquodirty paperrdquo) with standard non-cooperative strategies for the interference channel. Numerical results are provided, which indicate that our approaches provide substantial benefits at high SNR.
Stationary rotating strings can be viewed as geodesic motions in appropriate metrics in two-dimensional space. We obtain all solutions describing stationary rotating strings in flat spacetime as an application. These ...
Stationary rotating strings can be viewed as geodesic motions in appropriate metrics in two-dimensional space. We obtain all solutions describing stationary rotating strings in flat spacetime as an application. These rotating strings have infinite length with various wiggly shapes. Averaged value of the string energy, the angular momentum, and the linear momentum along the string are discussed.
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