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The udkm1Dsim toolbox is a collection of classes and routines to simulate the structural dynamics and the according X-ray diffraction response in one-dimensional sample structures after ultrafast excitation. The toolbox provides the capabilities to define arbitrary layered structures on the atomic level including a rich database of element-specific physical properties. The excitation of ultrafast dynamics is represented by an N-temperature-model which is commonly applied for ultrafast optical excitations. Structural dynamics due to thermal stresses 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 to introduce user-defined results at any step in the simulation procedure. Citation

Please cite the following article if you use the udkm1Dsim toolbox for your own publications:

D. Schick, A. Bojahr, M. Herzog, R. Shayduk, C. von Korff Schmising & M. Bargheer, udkm1Dsim - A Simulation Toolkit for 1D Ultrafast Dynamics in Condensed Matter, Comput. Phys. Commun. 185, 651 (2014).