udkm1Dsim—A simulation toolkit for 1D ultrafast dynamics in condensed matter

Published: 9 Dec 2019 | Version 1 | DOI: 10.17632/9zk946krfg.1
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Description of this data

This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2018)

Abstract
The udkm1Dsim toolbox is a collection of matlab (MathWorks Inc.) classes and routines to simulate the structural dynamics and the according X-ray diffraction response in one-dimensional crystalline sample structures upon an arbitrary time-dependent external stimulus, e.g. an ultrashort laser pulse. The toolbox provides the capabilities to define arbitrary layered structures on the atomic level including a rich database of corresponding element-specific physical properties. The excitation of ultrafast dynamics is represented by an -temperature model which is commonly applied for ultrafast optical excitations. Structural dynamics due to thermal stress are calculated by a linear-chain model of masses and springs. The resulting X-ray diffraction response is computed by dynamical X-ray theory. The udkm1Dsim toolbox is highly modular and allows for introducing user-defined results at any step in the simulation procedure.

Title of program: udkm1Dsim
Catalogue Id: AERH_v1_0

Nature of problem
Simulate the lattice dynamics of 1D crystalline sample structures due to an ultrafast excitation including thermal transport and compute the corresponding transient X-ray diffraction pattern.

Versions of this program held in the CPC repository in Mendeley Data
AERH_v1_0; udkm1Dsim; 10.1016/j.cpc.2013.10.009

Experiment data files

This data is associated with the following publication:

udkm1Dsim—A simulation toolkit for 1D ultrafast dynamics in condensed matter

Published in: Computer Physics Communications

Latest version

  • Version 1

    2019-12-09

    Published: 2019-12-09

    DOI: 10.17632/9zk946krfg.1

    Cite this dataset

    Schick, D.; Bojahr, A.; Herzog, M.; Shayduk, R.; von Korff Schmising, C.; Bargheer, M. (2019), “udkm1Dsim—A simulation toolkit for 1D ultrafast dynamics in condensed matter”, Mendeley Data, v1 http://dx.doi.org/10.17632/9zk946krfg.1

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Categories

Surface Science, Condensed Matter Physics, Crystallography, Computational Physics

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