1,349 research outputs found
Control and femtosecond time-resolved imaging of torsion in a chiral molecule
We study how the combination of long and short laser pulses, can be used to
induce torsion in an axially chiral biphenyl derivative
(3,5-difluoro-3',5'-dibromo-4'-cyanobiphenyl). A long, with respect to the
molecular rotational periods, elliptically polarized laser pulse produces 3D
alignment of the molecules, and a linearly polarized short pulse initiates
torsion about the stereogenic axis. The torsional motion is monitored in
real-time by measuring the dihedral angle using femtosecond time-resolved
Coulomb explosion imaging. Within the first 4 picoseconds, torsion occurs with
a period of 1.25 picoseconds and an amplitude of 3 degrees in excellent
agreement with theoretical calculations. At larger times the quantum states of
the molecules describing the torsional motion dephase and an almost isotropic
distribution of the dihedral angle is measured. We demonstrate an original
application of covariance analysis of two-dimensional ion images to reveal
strong correlations between specific ejected ionic fragments from Coulomb
explosion. This technique strengthens our interpretation of the experimental
data.Comment: 11 pages, 9 figure
Parallelization of the PC Algorithm
This paper describes a parallel version of the PC algorithm
for learning the structure of a Bayesian network from data. The PC
algorithm is a constraint-based algorithm consisting of fi ve steps where
the first step is to perform a set of (conditional) independence tests
while the remaining four steps relate to identifying the structure of the
Bayesian network using the results of the (conditional) independence
tests. In this paper, we describe a new approach to parallelization of the
(conditional) independence testing as experiments illustrate that this is
by far the most time consuming step. The proposed parallel PC algorithm
is evaluated on data sets generated at random from five different real-
world Bayesian networks. The results demonstrate that signi cant time
performance improvements are possible using the proposed algorithm
Dynamic Influence Diagram-Based Deep Reinforcement Learning Framework and Application for Decision Support for Operators in Control Rooms
In today’s complex industrial environment, operators are often faced with challenging situations that require quick and accurate decision-making. The human-machine interface (HMI) can display too much information, leading to information overload and potentially compromising the operator’s ability to respond effectively. To address this challenge, decision support models are needed to assist operators in identifying and responding to potential safety incidents. In this paper, we present an experiment to evaluate the effectiveness of a recommendation system in addressing the challenge of information overload. The case study focuses on a formaldehyde production simulator and examines the performance of an improved Human-Machine Interface (HMI) with the use of an AI-based recommendation system utilizing a dynamic influence diagram in conjunction with reinforcement learning. The preliminary results indicate the potential of these methods to aid operators in decision-making during challenging situations and enhance process safety in the industry
Etude en rayons X cohérents de la dynamique de suspensions concentrées de sphères dures
Les suspensions colloïdales de particules sphériques présentant des interactions de type sphères dures font partie des systèmes les plus simples et les plus largement étudiés en Matière Molle. Elles peuvent être considérées comme systèmes modèles pour tester des théories plus générales, par exemple en ce qui concerne la cristallisation [1] ou la transition vitreuse [2]. Malgré de nombreux résultats théoriques et expérientaux dans ce domaine, le comportement dynamique des suspensions de sphères dures n'a pas été complètement élucidé.La spectroscopie à corrélation de photons X (XPCS) est une technique de diffusion cohérente équivalente à la Diffusion Quasi-Elastique de la Lumière [3], qui est un des principaux outils d'investigation de la dynamique colloïdale [4]. Comparée à la luière visible, l'utilisation de rayons X procure des rensignements sur les transferts de moment de plus haute énergie, et évite les diffusions multiples - phénomène qui complique sensiblement les études en DQEL pour les échantillons concentrés. De plus, l'utilisation du détecteur 2D compteur de photons (MAXIPIX) disponible sur la ligne ID10 (ESRF) donne des renseignements sur l'évolution de la dynamique de l'échantillon au cours de l'exposition, via les fonctions de corrélation à deux temps.Dans ce travail, nous avons étudié une suspension de spheres colloïdales de PMMA (poly(méthylmétacrylate)) stériquement stabilisées. La distribution en taille des particules et leur concentration ont été obtenues par diffusion de rayons X aux petits angles (SAXS). Les expériences de XPCS effectuées aux plus grandes fractions volumiques en particules (>0.5) mettent en évidence à la fois des temps de diffusion courts et des temps longs autour des pics de Bragg. Une comparaison avec une précédente étude [5] montre, pour une petite gamme de fractions volumiques, une modification drastique de la loi d'échelle entre les temps de relaxation courts et les temps longs qui avait été initialement proposée par Segrè et Pusey [6]. L'analyse des fonctions de corrélation à deux temps révèle un comportement dynamique complexe des échantillons légèrement au-dessus de la transition vitreuse, alors qu'on n'observe aucun signe de modifications structurales via diffusion statique. Utiliser la XPCS sur des suspensions en écoulement dans des canaux cylindriques avait fait ses preuves pour renseigner à la fois sur les propriétés dynamiques et d'écoulement de suspensions diluées [7]. Ici, nous discutons les potentialités et les limites de cette méthode, en étudiant l'interaction entre les propriétés rhéologiques et dynamiques dans ces systèmes complexes modèles que sont les verres colloïdaux.[1] P. N. Pusey and W. van Megen. In: Nature 320.6060 (Mar. 1986), pp. 340 342 [2] P. N. Pusey and W. van Megen. In: Phys. Rev. Lett. 59 (18 1987), pp. 2083 2086.[3] V. A. Martinez et al. In: The Journal of Chemical Physics 134.5, 054505 (2011), p. 054505.[4] B. J. Berne and R. Pecora. Dynamic Light Scattering with application to chemistry, biology and physics. Dover Publications, New York, 2000. [5] D. Orsi et al. Dynamics in dense hard-sphere colloidal suspensions . In: Phys. Rev. E 85 (1 2012), p. 011402. doi: 10.1103/PhysRevE.85.011402. url: http://link.aps.org/doi/1 0.1103/PhysRevE.85.011402. [6] P. N. Segrè and P. N. Pusey. In: Phys. Rev. Lett. 77.4 (1996), pp. 771 774.[7] A. Fluerasu et al. In: New Journal of Physics 12.3 (2010)Colloidal suspensions of spherical particles presenting hard-sphere like interactions is one of the simplest and most widely studied systems of soft condensed matter. They can be treated as a model for testing fundamental theories, regarding e.g. crystallization [1] or glass transition [2]. Despite the long history of both theoretical and experimental research, the dynamic behavior of hard sphere suspensions still lacks a complete understanding.X-ray Photon Correlation Spectroscopy (XPCS) is a coherent scattering technique equivalent to Dynamic Light Scattering (DLS) [3], which is one of the main tools used in the study of colloidal dynamics [4]. Comparing to visible light, the use of X-rays provides access to higher momentum transfer vector values and allows to avoid multiple scattering a phenomena significantly complicating DLS measurements on concentrated samples. Moreover, the use of a fast, single photon counting area detector (MAXIPIX) available at the ID10 beamline at ESRF gives insight into the evolution of sample dynamics during the measurement time by the means of two-time correlation functions.In this work suspensions of sterically stabilized poly(methyl methacrylate) (PMMA) colloidal spheres were used. Particle size, polydispersity and volume fractions of the samples were obtained using the Small-Angle X-ray Scattering (SAXS) technique. XPCS measurements at high volume fractions (>0.5) show both short- and long-time diffusive behaviour for scattering vector values around, but not restricted to the structure factor peak position. A comparison with an earlier study [5] shows a dramatic change in the approximate scaling between the short- and long-time relaxation rates, initially proposed by Segrè and Pusey in [6], over a small range of volume fractions. The analysis of two-time correlation functions reveals complex dynamic behaviour of a sample slightly above the glass transition, while no signs of structural changes are observed in the static scattering patterns. The studies indicate the dynamics being governed by a jamming transition driven by restrictions in free volume rather than a glass transition as know from the mode-coupling theory. A combination of XPCS with flow in a cylindrical channel has demonstrated previously to give both dynamic and flow properties of dilute suspensions [7]. Here we discuss the potential and limitations of this method in the study of the interplay between rheological properties and dynamics in complex systems such as colloidal glasses. [1] P. N. Pusey and W. van Megen. In: Nature 320.6060 (Mar. 1986), pp. 340 342[2] P. N. Pusey and W. van Megen. In: Phys. Rev. Lett. 59 (18 1987), pp. 2083 2086.[3] V. A. Martinez et al. In: The Journal of Chemical Physics 134.5, 054505 (2011), p. 054505.[4] B. J. Berne and R. Pecora. Dynamic Light Scattering with application to chemistry, biology and physics. Dover Publications, New York, 2000.[5] D. Orsi et al. Dynamics in dense hard-sphere colloidal suspensions . In: Phys. Rev. E 85 (2012), p. 011402.[6] P. N. Segrè and P. N. Pusey. In: Phys. Rev. Lett. 77.4 (1996), pp. 771 774.[7] A. Fluerasu et al. In: New Journal of Physics 12.3 (2010)SAVOIE-SCD - Bib.électronique (730659901) / SudocGRENOBLE1/INP-Bib.électronique (384210012) / SudocGRENOBLE2/3-Bib.électronique (384219901) / SudocSudocFranceF
- …