748 research outputs found
Hierarchical fractional-step approximations and parallel kinetic Monte Carlo algorithms
We present a mathematical framework for constructing and analyzing parallel
algorithms for lattice Kinetic Monte Carlo (KMC) simulations. The resulting
algorithms have the capacity to simulate a wide range of spatio-temporal scales
in spatially distributed, non-equilibrium physiochemical processes with complex
chemistry and transport micro-mechanisms. The algorithms can be tailored to
specific hierarchical parallel architectures such as multi-core processors or
clusters of Graphical Processing Units (GPUs). The proposed parallel algorithms
are controlled-error approximations of kinetic Monte Carlo algorithms,
departing from the predominant paradigm of creating parallel KMC algorithms
with exactly the same master equation as the serial one.
Our methodology relies on a spatial decomposition of the Markov operator
underlying the KMC algorithm into a hierarchy of operators corresponding to the
processors' structure in the parallel architecture. Based on this operator
decomposition, we formulate Fractional Step Approximation schemes by employing
the Trotter Theorem and its random variants; these schemes, (a) determine the
communication schedule} between processors, and (b) are run independently on
each processor through a serial KMC simulation, called a kernel, on each
fractional step time-window.
Furthermore, the proposed mathematical framework allows us to rigorously
justify the numerical and statistical consistency of the proposed algorithms,
showing the convergence of our approximating schemes to the original serial
KMC. The approach also provides a systematic evaluation of different processor
communicating schedules.Comment: 34 pages, 9 figure
The Astrophysical Multipurpose Software Environment
We present the open source Astrophysical Multi-purpose Software Environment
(AMUSE, www.amusecode.org), a component library for performing astrophysical
simulations involving different physical domains and scales. It couples
existing codes within a Python framework based on a communication layer using
MPI. The interfaces are standardized for each domain and their implementation
based on MPI guarantees that the whole framework is well-suited for distributed
computation. It includes facilities for unit handling and data storage.
Currently it includes codes for gravitational dynamics, stellar evolution,
hydrodynamics and radiative transfer. Within each domain the interfaces to the
codes are as similar as possible. We describe the design and implementation of
AMUSE, as well as the main components and community codes currently supported
and we discuss the code interactions facilitated by the framework.
Additionally, we demonstrate how AMUSE can be used to resolve complex
astrophysical problems by presenting example applications.Comment: 23 pages, 25 figures, accepted for A&
New models for PIXE simulation with Geant4
Particle induced X-ray emission (PIXE) is a physical effect that is not yet
adequately modelled in Geant4. The current status as in Geant4 9.2 release is
reviewed and new developments are described. The capabilities of the software
prototype are illustrated in application to the shielding of the X-ray
detectors of the eROSITA telescope on the upcoming Spectrum-X-Gamma space
mission.Comment: To be published in the Proceedings of the CHEP (Computing in High
Energy Physics) 2009 conferenc
The Role of the Collisional Broadening of the States on the Low-Field Mobility in Silicon Inversion Layers
abstract: Scaling of the Metal-Oxide-Semiconductor Field Effect Transistor (MOSFET) towards shorter channel lengths, has lead to an increasing importance of quantum effects on the device performance. Until now, a semi-classical model based on Monte Carlo method for instance, has been sufficient to address these issues in silicon, and arrive at a reasonably good fit to experimental mobility data. But as the semiconductor world moves towards 10nm technology, many of the basic assumptions in this method, namely the very fundamental Fermi’s golden rule come into question. The derivation of the Fermi’s golden rule assumes that the scattering is infrequent (therefore the long time limit) and the collision duration time is zero. This thesis overcomes some of the limitations of the above approach by successfully developing a quantum mechanical simulator that can model the low-field inversion layer mobility in silicon MOS capacitors and other inversion layers as well. It solves for the scattering induced collisional broadening of the states by accounting for the various scattering mechanisms present in silicon through the non-equilibrium based near-equilibrium Green’s Functions approach, which shall be referred to as near-equilibrium Green’s Function (nEGF) in this work. It adopts a two-loop approach, where the outer loop solves for the self-consistency between the potential and the subband sheet charge density by solving the Poisson and the Schrödinger equations self-consistently. The inner loop solves for the nEGF (renormalization of the spectrum and the broadening of the states), self-consistently using the self-consistent Born approximation, which is then used to compute the mobility using the Green-Kubo Formalism.Dissertation/ThesisDoctoral Dissertation Electrical Engineering 201
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