dschick/udkm1Dsim

A Simulation Toolkit for 1D Ultrafast Dynamics in Condensed Matter

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

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)

http://doi.org/10.1016/j.cpc.2013.10.009