Search results for " Computer Science"

Molecular dynamics study of high-pressure alumina polymorphs with a tight-binding variable-charge model

2016

Abstract A tight-binding variable-charge model aimed at performing large-scale realistic simulations of bulk, surfaces and interfaces of aluminum oxides have been developed. This model is based on the charge equilibration (QEq) method and explicitly takes into account the mixed iono–covalent character of the metal–oxygen bond by means of a tight-binding analytical approach in the second-moment approximation of the electronic structure. The parameters of the model were optimized to reproduce structural and energetic properties of the α-Al2O3 corundum structure at room temperature and pressure. The model exhibits a good transferability between five alumina polymorphs: corundum, Rh2O3(II)-type…

The smectic phase in semiflexible polymer materials: A large scale Molecular Dynamics study

2019

Abstract Semiflexible polymers in concentrated lyotropic solution are studied within a bead-spring model by molecular dynamics simulations, focusing on the emergence of a smectic A phase and its properties. We systematically vary the density of the monomeric units for several contour lengths that are taken smaller than the chain persistence length. The difficulties concerning the equilibration of such systems and the choice of appropriate ensemble (constant volume versus constant pressure, where all three linear dimensions of the simulation box can fluctuate independently) are carefully discussed. Using HOOMD-blue on graphics processing units, systems containing more than a million monomeri…

Sur les Codes ZigZag et Leur Décidabilité

1990

AbstractThis paper deals with zigzag factorizations and zigzag codes. The language of “zigzag” over a regular language is represented by constructing a special family of two-way automata. Decidability of zigzag codes, previously shown for the finite languages, is proved here for all regular languages by the analysis of the set of “crossing sequences” produced by a two-way automation in the family. We also obtain that it is decidable whether or not a two-way automation of a certain type is non-ambiguous.RésuméDans ce papier on reprend les notions de factorisation zigzag et de code zigzag. On construit pour tout langage rationnel, une famille d'automates bilatéres lesquels reconnaissent les m…

Logics and operators

2003

Two connectives are of special interest in metalogical investigations — the connective of implication which is important due to its connections to the notion of inference, and the connective of equivalence. The latter connective expresses, in the material sense, the fact that two sentences have the same logical value while in the strict sense it expresses the fact that two sentences are interderivable on the basis of a given logic. The process of identification of equivalent sentences relative to theories of a logic C defines a class of abstract algebras. The members of the class are called Lindenbaum-Tarski algebras of the logic C. One may abstract from the origin of these algebras and exa…

Mathematical description of the stimuli to the lateral line system of fish derived from a three-dimensional flow field analysis

1992

The spatial distributions of the stimuli to the lateral line system of a fish moving alongside or above a plane surface are derived mathematically. The derivation was done from the analysis of the three-dimensional potential flow field on the surface of fish with bodies of circular cross-section with different shapes.

A minimal Gō-model for rebuilding whole genome structures from haploid single-cell Hi-C data

2020

Abstract We present a minimal computational model, which allows very fast, on-the-fly construction of three dimensional haploid interphase genomes from single-cell Hi-C contact maps using the HOOMD-blue molecular dynamics package on graphics processing units. Chromosomes are represented by a string of connected beads, each of which corresponds to 100,000 base pairs, and contacts are mediated via a structure-based harmonic potential. We suggest and test two minimization protocols which consistently fold into conformationally similar low energy states. The latter are similar to previously published structures but are calculated in a fraction of the time. We find evidence that mere fulfillment…

Small-signal analysis of the encoder mechanism in the lobster stretch receptor and the frog and cat muscle spindle.

1975

Ausgehend von der Leitwert-Potential-Beziehung als Bedingung fur die Impulsauslosung an erregbaren Membranen (Chaplain, 1974) wird eine Kleinsignal-Analyse des Kodierungsvorganges in Mechanorezeptoren beschrieben. Hierbei wird die Theorie der Systeme mit zeitvariablen Parametern angewendet. Das beschriebene mathematische Modell erlaubt quantitative Aussagen fur den Frequenzgang unabhangig davon ob die Momentafrequenz oder die Impulsdichte als Ausgangssignal betrachtet wird. Die Approximation experimenteller Daten gelingt sowohl fur die Ansteuerung des Kodierers bei intrazellularer Stromstimulierung im Fall des Dehnungsrezeptors wie auch durch Leitwertanderungen als Folge des mechano-elektri…

Unsteady turbulence in plane channel flow

2011

Abstract Direct numerical simulations were conducted for oscillating flow with zero time mean (reciprocating flow) in a plane channel subject to a harmonic forcing term of varying amplitude and frequency. The results confirmed the existence of four flow regimes (laminar, “disturbed laminar”, intermittently turbulent, and fully turbulent) depending on the above parameters. The flow behaviour was found to depend on the complex interplay of mean and turbulence quantities, as described by the closed loop formed by the streamwise Reynolds-averaged momentum equation in conjunction with the exact transport equations for the turbulent (Reynolds) stresses. A crucial role in this loop appeared to be …

Entanglement Induced by Tailored Environments

2009

2016

The wealth of sensory data coming from different modalities has opened numerous opportunities for data analysis. The data are of increasing volume, complexity and dimensionality, thus calling for new methodological innovations towards multimodal data processing. However, multimodal architectures must rely on models able to adapt to changes in the data distribution. Differences in the density functions can be due to changes in acquisition conditions (pose, illumination), sensors characteristics (number of channels, resolution) or different views (e.g. street level vs. aerial views of a same building). We call these different acquisition modes domains, and refer to the adaptation problem as d…