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

Computational Physics 2021-05-31 v2 Other Condensed Matter

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 NN-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.

Keywords

Cite

@article{arxiv.2102.12144,
  title  = {udkm1Dsim -- A Python toolbox for simulating 1D ultrafast dynamics in condensed matter},
  author = {Daniel Schick},
  journal= {arXiv preprint arXiv:2102.12144},
  year   = {2021}
}
R2 v1 2026-06-23T23:27:55.144Z