Search results for "Neural Networks"
showing 10 items of 599 documents
From equilibrium to steady state: The transient dynamics of colloidal liquids under shear
2008
We investigate stresses and particle motion during the start up of flow in a colloidal dispersion close to arrest into a glassy state. A combination of molecular dynamics simulation, mode coupling theory and confocal microscopy experiment is used to investigate the origins of the widely observed stress overshoot and (previously not reported) super-diffusive motion in the transient dynamics. A link between the macro-rheological stress versus strain curves and the microscopic particle motion is established. Negative correlations in the transient auto-correlation function of the potential stresses are found responsible for both phenomena, and arise even for homogeneous flows and almost Gaussia…
Inverse simulated annealing: Improvements and application to amorphous InSb
2014
An improved inverse simulated annealing method is presented to determine the structure of complex disordered systems from first principles in agreement with available experimental data or desired predetermined target properties. The effectiveness of this method is demonstrated by revisiting the structure of amorphous InSb. The resulting network is mostly tetrahedral and in excellent agreement with available experimental data.
Wave-Vector Dependence of the Dynamics in Supercooled Metallic Liquids
2020
Physical review letters 125(5), 055701 (2020). doi:10.1103/PhysRevLett.125.055701
Isotope effects on the dynamics of a supercooled van der Waals liquid
2000
Deuteron magnetic resonance was used to study three differently isotope-labeled species of the fragile glass-forming liquid ortho-terphenyl. The calorimetric glass transition of the isotope deuterated only at the central phenyl ring is significantly lower than that of the perdeuterated one. It is shown that while the ortho-terphenyl molecule is not as rigid as previously often assumed, its overall reorientation geometry is independent of deuteration. The characteristic jump angles are found to increase with temperature, thus resolving an apparent discrepancy previously noted when comparing typical jump sizes from NMR with other data.
Glassy dynamics in monodisperse hard ellipsoids
2008
We present evidence from computer simulations for glassy dynamics in suspensions of monodisperse hard ellipsoids. In equilibrium, almost spherical ellipsoids show a first order transition from an isotropic phase to a rotator phase. When overcompressing the isotropic phase into the rotator regime, we observe super-Arrhenius slowing down of diffusion and relaxation, accompanied by two-step relaxation in positional and orientational correlators. The effects are strong enough for asymptotic laws of mode-coupling theory to apply. Glassy dynamics are unusual in monodisperse systems. Typically, polydispersity in size or a mixture of particle species is prerequisite to prevent crystallization. Here…
Nanorings and rods interconnected by self-assembly mimicking an artificial network of neurons
2013
[EN] Molecular electronics based on structures ordered as neural networks emerges as the next evolutionary milestone in the construction of nanodevices with unprecedented applications. However, the straightforward formation of geometrically defined and interconnected nanostructures is crucial for the production of electronic circuitry nanoequivalents. Here we report on the molecularly fine-tuned self-assembly of tetrakis-Schiff base compounds into nanosized rings interconnected by unusually large nanorods providing a set of connections that mimic a biological network of neurons. The networks are produced through self-assembly resulting from the molecular conformation and noncovalent intermo…
Artificial neural networks for nonlinear pulse shaping in optical fibers
2020
International audience; We use a supervised machine-learning model based on a neural network to predict the temporal and spectral intensity profiles of the pulses that form upon nonlinear propagation in optical fibers with both normal and anomalous second-order dispersion. We also show that the model is able to retrieve the parameters of the nonlinear propagation from the pulses observed at the output of the fiber. Various initial pulse shapes as well as initially chirped pulses are investigated.
Molecular Dynamics Simulations
2003
A tutorial introduction to the technique of Molecular Dynamics (MD) is given, and some characteristic examples of applications are described. The purpose and scope of these simulations and the relation to other simulation methods is discussed, and the basic MD algorithms are described. The sampling of intensive variables (temperature T, pressure p) in runs carried out in the microcanonical (NVE) ensemble (N= particle number, V = volume, E = energy) is discussed, as well as the realization of other ensembles (e.g. the NVT ensemble). For a typical application example, molten SiO2, the estimation of various transport coefficients (self-diffusion constants, viscosity, thermal conductivity) is d…
Luminescence of localized states in oxidized and fluorinated silica glass
2019
This work was supported by the Latvian Science Council Grant No lzp-2018/1-0289.
EPR characterization of erbium in glasses and glass ceramics
2020
Electron paramagnetic resonance (EPR) is a well-established spectroscopic technique for electronic structure characterization of rare-earth ion impurities in crystalline and amorphous hosts. EPR spectra of erbium-doped glass matrices and nanocomposites can provide information about local structure variations induced by changes in chemical composition or crystallization processes. Characterization possibilities of Er3+ ions in glasses and glass ceramics including direct EPR measurements, indirect investigations via secondary paramagnetic probes, and optically detected magnetic resonance techniques are considered in this article. ----/ / /---- This is the pre-print of the following article: A…