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arXiv 2102.12144physics.comp-phcond-mat.other
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udkm1Dsim--一个在condensed matter中模拟一维超快动力学的Python工具箱

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

Daniel Schick

摘要:

udkm1Dsim工具箱是Python类和例程的集合,用于模拟激光激发后的热、结构和磁动力学以及一维样品结构中相应的X射线散射响应。该工具箱提供了在原子级上定义任意分层结构的功能,包括元素特定物理属性的丰富数据库。动力学的激发由超快物理中常用的$N$-温度模型表示。由于热应力的结构动力学计算的质量和弹簧的线性链模型。具体的磁动力学的实现可以很容易地完成由用户采用广义磁化接口类。所得到的X射线衍射响应是通过运动学或动态X射线理论计算的,该理论还可以包括偏振相关的磁散射。udkm1Dsim工具箱是高度模块化的,允许在仿真过程中的任何步骤注入用户定义的输入。

英文摘要:

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.

机构、总结、中文摘要均由AI分析而来,可能存在错误,请以论文正文为准。

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