15 research outputs found

    Impulsive Control for G-AIMD Dynamics with Relaxed and Hard Constraints.

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    Motivated by various applications from Internet congestion control to power control in smart grids and electric vehicle charging, we study Generalized Additive Increase Multiplicative Decrease (G-AIMD) dynamics under impulsive control in continuous time with the time average alpha-fairness criterion. We first show that the control under relaxed constraints can be described by a threshold. Then, we propose a Whittle-type index heuristic for the hard constraint problem. We prove that in the homogeneous case the index policy is asymptotically optimal when the number of users is large.Comment: 8 page

    Catalysis in Real Time Using X-Ray Lasers

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    We describe how the unique temporal and spectral characteristics of X-ray free-electron lasers (XFEL) can be utilized to follow chemical transformations in heterogeneous catalysis in real time. We highlight the systematic study of CO oxidation on Ru(0001), which we initiate either using a femtosecond pulse from an optical laser or by activating only the oxygen atoms using a THz pulse. We find that CO is promoted into an entropy-controlled precursor state prior to desorbing when the surface is heated in the absence of oxygen, whereas in the presence of oxygen, CO desorbs directly into the gas phase. We monitor the activation of atomic oxygen explicitly by the reduced split between bonding and antibonding orbitals as the oxygen comes out of the strongly bound hollow position. Applying these novel XFEL techniques to the full oxidation reaction resulted in the surprising observation of a significant fraction of the reactants at the transition state through the electronic signature of the new bond formation

    Whittle index based Q-learning for restless bandits with average reward

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    International audienceA novel reinforcement learning algorithm is introduced for multiarmed restless bandits with average reward, using the paradigms of Q-learning and Whittle index. Specifically, we leverage the structure of the Whittle index policy to reduce the search space of Q-learning, resulting in major computational gains. Rigorous convergence analysis is provided, supported by numerical experiments. The numerical experiments show excellent empirical performance of the proposed scheme

    Molecular Dynamics Simulation

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    Condensed matter systems, ranging from simple fluids and solids to complex multicomponent materials and even biological matter, are governed by well understood laws of physics, within the formal theoretical framework of quantum theory and statistical mechanics. On the relevant scales of length and time, the appropriate ‘first-principles’ description needs only the Schroedinger equation together with Gibbs averaging over the relevant statistical ensemble. However, this program cannot be carried out straightforwardly—dealing with electron correlations is still a challenge for the methods of quantum chemistry. Similarly, standard statistical mechanics makes precise explicit statements only on the properties of systems for which the many-body problem can be effectively reduced to one of independent particles or quasi-particles. [...

    Sticking of atomic hydrogen on graphene

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    Recent years have witnessed an ever growing interest in the interactions between hydrogen atoms and a graphene sheet. Largely motivated by the possibility of modulating the electric, optical and magnetic properties of graphene, a huge number of studies have appeared recently that added to and enlarged earlier investigations on graphite and other carbon materials. In this review we give a glimpse of the many facets of this adsorption process, as they emerged from these studies. The focus is on those issues that have been addressed in detail, under carefully controlled conditions, with an emphasis on the interplay between the adatom structures, their formation dynamics and the electric, magnetic and chemical properties of the carbon sheet

    Ab-initio molecular dynamics studies of laser- and collision-induced processes in multielectron diatomics, organic molecules and fullerenes

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    This work presents applications of an ab-initio molecular dynamics method, the so-called nonadiabatic quantum molecular dynamics (NA-QMD), for various molecular systems with many electronic and nuclear degrees of freedom. Thereby, the nuclei will be treated classically and the electrons with time-dependent density functional theory (TD-DFT) in basis expansion. Depending on the actual system and physical process, well suited basis sets for the Kohn-Sham orbitals has to be chosen. For the ionization process a novel absorber acting in the energy space as well as additional basis functions will be used depending on the laser frequency. In the first part of the applications, a large variety of different laser-induced molecular processes will be investigated. This concerns, the orientation dependence of the ionization of multielectronic diatomics (N2, O2), the isomerization of organic molecules (N2H2) and the giant excitation of the breathing mode in fullerenes (C60). In the second part, fullerene-fullerene collisions are investigated, for the first time in the whole range of relevant impact velocities concerning the vibrational and electronic energy transfer (\"stopping~power\"). For low energetic (adiabatic) collisions, it is surprisingly found, that a two-dimensional, phenomenological collision model can reproduce (even quantitatively) the basic features of fusion and scattering observed in the fully microscopic calculations as well as in the experiment. For high energetic (nonadiabatic) collisions, the electronic and vibrational excitation regimes are predicted, leading to multifragmentation up to complete atomization

    Quality of service based distributed control of wireless networks

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