539 research outputs found

    A reduced model for shock and detonation waves. II. The reactive case

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    We present a mesoscopic model for reactive shock waves, which extends a previous model proposed in [G. Stoltz, Europhys. Lett. 76 (2006), 849]. A complex molecule (or a group of molecules) is replaced by a single mesoparticle, evolving according to some Dissipative Particle Dynamics. Chemical reactions can be handled in a mean way by considering an additional variable per particle describing a rate of reaction. The evolution of this rate is governed by the kinetics of a reversible exothermic reaction. Numerical results give profiles in qualitative agreement with all-atom studies

    Externally mode-matched cavity quantum electrodynamics with charge-tunable quantum dots

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    We present coherent reflection spectroscopy on a charge and DC Stark tunable quantum dot embedded in a high-quality and externally mode-matched microcavity. The addition of an exciton to a single-electron charged quantum dot forms a trion that interacts with the microcavity just below strong coupling regime of cavity quantum electrodynamics. Such an integrated, monolithic system is a crucial step towards the implementation of scalable hybrid quantum information schemes that are based on an efficient interaction between a single photon and a confined electron spin.Comment: 10 pages, 4 figure

    An unexpected Ireland–Claisen rearrangement cascade during the synthesis of the tricyclic core of Curcusone C: Mechanistic elucidation by trial-and-error and automatic artificial force-induced reaction (AFIR) computations

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    In the course of a total synthesis effort directed toward the natural product curcusone C, the Stoltz group discovered an unexpected thermal rearrangement of a divinylcyclopropane to the product of a formal Cope/1,3-sigmatropic shift sequence. Since the involvement of a thermally forbidden 1,3-shift seemed unlikely, theoretical studies involving two approaches, the “trial-and-error” testing of various conceivable mechanisms (Houk group) and an “automatic” approach using the Maeda–Morokuma AFIR method (Morokuma group) were applied to explore the mechanism. Eventually, both approaches converged on a cascade mechanism shown to have some partial literature precedent: Cope rearrangement/1,5-sigmatropic silyl shift/Claisen rearrangement/retro-Claisen rearrangement/1,5-sigmatropic silyl shift, comprising a quintet of five sequential thermally allowed pericyclic rearrangements

    Transient heat generation in a quantum dot under a step-like pulse bias

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    We study the transient heat generation in a quantum dot system driven by a step-like or a square-shaped pulse bias. We find that a periodically oscillating heat generation arises after adding the sudden bias. One particularly surprising result is that there exists a heat absorption from the zero-temperature phonon subsystem. Thus the phonon population in non-equilibrium can be less than that of the equilibrium electron-phonon system. In addition, we also ascertain the optimal conditions for the operation of a quantum dot with the minimum heat generation.Comment: 6 pages, 4 figure

    Thermal conductivity of the Toda lattice with conservative noise

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    We study the thermal conductivity of the one dimensional Toda lattice perturbed by a stochastic dynamics preserving energy and momentum. The strength of the stochastic noise is controlled by a parameter γ\gamma. We show that heat transport is anomalous, and that the thermal conductivity diverges with the length nn of the chain according to κ(n)nα\kappa(n) \sim n^\alpha, with 0<α1/20 < \alpha \leq 1/2. In particular, the ballistic heat conduction of the unperturbed Toda chain is destroyed. Besides, the exponent α\alpha of the divergence depends on γ\gamma
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