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arXiv · 2102.12144

udkm1Dsim -- A Python toolbox for simulating 1D ultrafast dynamics in condensed matter

Daniel Schick
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Abstract

The udkm1Dsim toolbox is a collection of Python classes and routines to simulate the thermal, structural, and magnetic dynamics after laser excitation as well as the according X-ray scattering response in one-dimensional sample structures. 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 dynamics is represented by an $N$-temperature-model which is commonly applied in ultrafast physics. Structural dynamics due to thermal stresses are calculated by a linear-chain model of masses and springs. The implementation of specific magnetic dynamics can be easily accomplished by the user employing a generalized magnetization interface class. The resulting X-ray diffraction response is computed by kinematical or dynamical X-ray theory which can also include polarization-dependent magnetic scattering. The udkm1Dsim toolbox is highly modular and allows for injecting user-defined inputs at any step within the simulation procedure.

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Daniel Schick. 2021-02-24. udkm1Dsim -- A Python toolbox for simulating 1D ultrafast dynamics in condensed matter. https://doi.org/10.1016/j.cpc.2021.108031

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