Dissipative Dynamics with Trapping in Dimers

The trapping of excitations in systems coupled to an environment allows to study the quantum to classical crossover by different means. We show how to combine the phenomenological description by a non-hermitian Liouville-von Neumann Equation (LvNE) approach with the numerically exact path integral Monte-Carlo (PIMC) method, and exemplify our results for a system of two coupled two-level systems. By varying the strength of the coupling to the environment we are able to estimate the parameter range in which the LvNE approach yields satisfactory results. Moreover, by matching the PIMC results with the LvNE calculations we have a powerful tool to extrapolate the numerically exact PIMC method to long times.Comment: 5 pages, 2 figure

Hardware-aware block size tailoring on adaptive spacetree grids for shallow water waves.

Spacetrees are a popular formalism to describe dynamically adaptive Cartesian grids. Though they directly yield an adaptive spatial discretisation, i.e. a mesh, it is often more efficient to augment them by regular Cartesian blocks embedded into the spacetree leaves. This facilitates stencil kernels working efficiently on homogeneous data chunks. The choice of a proper block size, however, is delicate. While large block sizes foster simple loop parallelism, vectorisation, and lead to branch-free compute kernels, they bring along disadvantages. Large blocks restrict the granularity of adaptivity and hence increase the memory footprint and lower the numerical-accuracy-per-byte efficiency. Large block sizes also reduce the block-level concurrency that can be used for dynamic load balancing. In the present paper, we therefore propose a spacetree-block coupling that can dynamically tailor the block size to the compute characteristics. For that purpose, we allow different block sizes per spacetree node. Groups of blocks of the same size are identied automatically throughout the simulation iterations, and a predictor function triggers the replacement of these blocks by one huge, regularly rened block. This predictor can pick up hardware characteristics while the dynamic adaptivity of the fine grid mesh is not constrained. We study such characteristics with a state-of-the-art shallow water solver and examine proper block size choices on AMD Bulldozer and Intel Sandy Bridge processors

Polaron Physics in Optical Lattices

We investigate the effects of a nearly uniform Bose-Einstein condensate (BEC) on the properties of immersed trapped impurity atoms. Using a weak-coupling expansion in the BEC-impurity interaction strength, we derive a model describing polarons, i.e., impurities dressed by a coherent state of Bogoliubov phonons, and apply it to ultracold bosonic atoms in an optical lattice. We show that, with increasing BEC temperature, the transport properties of the impurities change from coherent to diffusive. Furthermore, stable polaron clusters are formed via a phonon-mediated off-site attraction.Comment: 4 pages, 4 figure

Non-Markovian quantum state diffusion for absorption spectra of molecular aggregates

In many molecular systems one encounters the situation where electronic excitations couple to a quasi-continuum of phonon modes. That continuum may be highly structured e.g. due to some weakly damped high frequency modes. To handle such a situation, an approach combining the non-Markovian quantum state diffusion (NMQSD) description of open quantum systems with an efficient but abstract approximation was recently applied to calculate energy transfer and absorption spectra of molecular aggregates [Roden, Eisfeld, Wolff, Strunz, PRL 103 (2009) 058301]. To explore the validity of the used approximation for such complicated systems, in the present work we compare the calculated (approximative) absorption spectra with exact results. These are obtained from the method of pseudomodes, which we show to be capable of determining the exact spectra for small aggregates and a few pseudomodes. It turns out that in the cases considered, the results of the two approaches mostly agree quite well. The advantages and disadvantages of the two approaches are discussed

Influence of Complex Exciton-Phonon Coupling on Optical Absorption and Energy Transfer of Quantum Aggregates

We present a theory that efficiently describes the quantum dynamics of an electronic excitation that is coupled to a continuous, highly structured phonon environment. Based on a stochastic approach to non-Markovian open quantum systems, we develop a dynamical framework that allows us to handle realistic systems where a fully quantum treatment is desired yet the usual approximation schemes fail. The capability of the method is demonstrated by calculating spectra and energy transfer dynamics of mesoscopic molecular aggregates, elucidating the transition from fully coherent to incoherent transfer

Hardware-aware block size tailoring on adaptive spacetree grids for shallow water waves

Spacetrees are a popular formalism to describe dynamically adaptive Cartesian grids. Though they directly yield an adaptive spatial discretisation, i.e. a mesh, it is often more efficient to augment them by regular Cartesian blocks embedded into the spacetree leaves. This facilitates stencil kernels working efficiently on homogeneous data chunks. The choice of a proper block size, however, is delicate. While large block sizes foster simple loop parallelism, vectorisation, and lead to branch-free compute kernels, they bring along disadvantages. Large blocks restrict the granularity of adaptivity and hence increase the memory footprint and lower the numerical-accuracy-per-byte efficiency. Large block sizes also reduce the block-level concurrency that can be used for dynamic load balancing. In the present paper, we therefore propose a spacetree-block coupling that can dynamically tailor the block size to the compute characteristics. For that purpose, we allow different block sizes per spacetree node. Groups of blocks of the same size are identied automatically throughout the simulation iterations, and a predictor function triggers the replacement of these blocks by one huge, regularly rened block. This predictor can pick up hardware characteristics while the dynamic adaptivity of the fine grid mesh is not constrained. We study such characteristics with a state-of-the-art shallow water solver and examine proper block size choices on AMD Bulldozer and Intel Sandy Bridge processors

a prospective cohort study

Background The effects of target temperature management (TTM) on the heart aren’t thoroughly studied yet. Several studies showed the prolongation of various ECG parameters including Tpeak-Tend-time under TTM. Our study’s goal is to evaluate the acute and long-term outcome of these prolongations. Methods In this study we included patients with successful resuscitation after cardiac arrest who were admitted to the Charité Virchow Klinikum Berlin or the Heart and Vascular Centre of the Ruhr University Bochum between February 2006 and July 2013 (Berlin) or May 2014 to November 2015 (Bochum). For analysis, one ECG during TTM was recorded after reaching the target temperature (33–34 °C) or in the first 6 h of TTM. If possible, another ECG was taken after TTM. The patients were being followed until February 2016. Primary endpoint was ventricular arrhythmia during TTM, secondary endpoints were death and hospitalization due to cardiovascular diseases during follow-up. Results One hundred fifty-eight patients were successfully resuscitated in the study period of which 95 patients had usable data (e.g. ECGs without artifacts). During TTM significant changes for different parameters of ventricular de- and repolarization were noted: QRS (103.2 ± 23.7 vs. 95.3 ± 18.1; p = 0.003),QT (405.8 ± 76.4 vs. 373.8 ± 75.0; p = 0.01), QTc (474.9 ± 59.7 vs. 431.0 ± 56.8; p < 0.001), JT (302.8 ± 69.4 vs. 278.5 ± 75.2; p = 0.043), JTc (354.3 ± 60.2 vs. 318.7 ± 59.1; p = 0.001). 13.7% of the patients had ventricular arrhythmias during TTM, however these patients showed no difference regarding their ECG parameters in comparison to those were no ventricular arrhythmias occurred. We were able to follow 69 Patients over an average period of 35 ± 31 months. The 14 (21.5%) patients who died during the follow-up had significant prolongations of the TpTe-time in the ECGs without TTM (103.9 ± 47.2 vs. 75.8 ± 28.6; p = 0.023). Conclusion Our results show a significant prolongation of ventricular repolarization during TH. However, there was no significant difference between the ECG parameters of those who developed a ventricular arrhythmia and those who did not. The temporary prolongation of the repolarization during TTM seems to be less important for the prognosis of the patient. Whereas the prolongation of the repolarization in the basal ECG is associated with a higher mortality in our study

Electronic properties of wurtzite GaAs: A correlated structural, optical, and theoretical analysis of the same polytypic GaAs nanowire

III-V compound semiconductor nanowires are generally characterized by the coexistence of zincblende and wurtzite structures. So far, this polytypism has impeded the determination of the electronic properties of the metastable wurtzite phase of GaAs, which thus remain highly controversial. In an effort to obtain new insights into this topic, we cross-correlate nanoscale spectral imaging by near-field scanning optical microscopy with a transmission electron microscopy analysis of the very same polytypic GaAs nanowire dispersed onto a Si wafer. Thus, spatially resolved photoluminescence spectra could be unambiguously assigned to nanowire segments whose structure is known with lattice-resolved accuracy. An emission energy of 1.528 eV was observed from extended zincblende segments, revealing that the dispersed nanowire was under uniaxial strain presumably due to interaction with its supporting substrate. These crucial information and the emission energy obtained for extended pure wurtzite segments were used to perform envelope function calculations of zincblende quantum disks in a wurtzite matrix as well as the inverse structure. In these calculations, we varied the fundamental bandgap, the electron mass, and the band offset between zincblende and wurtzite GaAs. From this multi-parameter comparison with the experimental data, we deduced that the bandgap between the Γ8 conduction and A valence band ranges from 1.532 to 1.539 eV in strain-free wurtzite GaAs, and estimated values of 1.507 to 1.514 eV for the Γ7–A bandgap. Address correspondenc

Stochastic differential equations for non-linear hydrodynamics

We formulate the stochastic differential equations for non-linear hydrodynamic fluctuations. The equations incorporate the random forces through a random stress tensor and random heat flux as in the Landau and Lifshitz theory. However, the equations are non-linear and the random forces are non-Gaussian. We provide explicit expressions for these random quantities in terms of the well-defined increments of the Wienner process.Comment: 11 pages, submitted to Phys. Rev.