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  5. This work investigates the accuracy, efficiency, and applicability of coarse-grained (CG) atomistic methods in simulation of phonon dynamics. First, we compute and compare phonon dispersion relations in CG models with those in atomically resolved models, using the concurrent atomistic-continuum (CAC). The CG atomistic models using the CAC method are shown to reproduce long-wavelength phonons with great accuracy, while capturing the dynamics of some short-wavelength phonons that are usually inaccessible to CG methods. We then present CG simulation results of the propagation of heat pulses in Si with the interaction between atoms being modelled with the Stillinger-Weber potential; the experimentally observedmore »phonon-focusing patterns in the (1 0 0) and (1 1 1) planes of Si crystals are reproduced. The accuracy and efficiency of the CAC method in CG simulation of acoustic and optical phonon branches are quantified with respect to atomically-resolved molecular dynamics simulations. The applicability and limitations of concurrent multiscale methods in the simulation of phonon transport across atomistic-continuum interface are investigated. Possible ways to overcome the limitations are discussed.« less
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  7. Abstract The Surface Enhancement of the IceTop air-shower array will include the addition of radio antennas and scintillator panels, co-located with the existing ice-Cherenkov tanks and covering an area of about 1 km 2 . Together, these will increase the sensitivity of the IceCube Neutrino Observatory to the electromagnetic and muonic components of cosmic-ray-induced air showers at the South Pole. The inclusion of the radio technique necessitates an expanded set of simulation and analysis tools to explore the radio-frequency emission from air showers in the 70 MHz to 350 MHz band. In this paper we describe the software modules thatmore »have been developed to work with time- and frequency-domain information within IceCube's existing software framework, IceTray, which is used by the entire IceCube collaboration. The software includes a method by which air-shower simulation, generated using CoREAS, can be reused via waveform interpolation, thus overcoming a significant computational hurdle in the field.« less
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