Title: DXRD, a user-friendly suite of two- and multiple-beam dynamical X-ray diffraction programs Show Chinese title

Title: DXRD，一个用户友好的二维和多束动态X射线衍射程序套件

Abstract: The DXRD program suite consisting of a series of dynamical-theory programs is introduced for computing dynamical X-ray diffraction from single crystals. Its interactive graphic user interfaces (GUIs) allow general users to make complicated calculations with minimal effort. It can calculate plane-wave Darwin curves of single crystals (or multiple crystals) for both the Bragg and Laue cases, including grazing-incidence diffraction and backward diffraction (with Bragg angles approaching 90 degrees). It is also capable of simulating rocking curves for divergent incident X-ray beams with finite bandwidths. A unique capability of DXRD is that it provides, for the first time, a convenient GUI-based multiple-beam diffraction program that can accurately compute arbitrary N-beam diffraction of any geometry using a universal 4Nx4N matrix method. DXRD also provides a mapping program for plotting the entire multiple-beam diffraction lines (monochromator glitches) in the azimuth-energy coordinate system. All these functions make DXRD a convenient and powerful software tool for designing crystal-based synchrotron/X-ray optics (monochromators, analyzers, polarizers, phase plates, etc) and for crystal characterization, X-ray spectroscopy and X-ray diffraction teaching. Show Chinese abstract

Abstract: DXRD程序套件由一系列动力学理论程序组成，用于计算单晶的动力学X射线衍射。 其交互式图形用户界面（GUI）使普通用户能够以最小的努力进行复杂的计算。 它可以计算单晶（或多个晶体）的平面波Darwin曲线，包括布喇格和洛伦兹情况，包括掠入射衍射和后向衍射（布喇格角接近90度）。 它还能模拟具有有限带宽的发散入射X射线束的摇动曲线。 DXRD的一个独特功能是，它是首次提供一个方便的基于GUI的多束衍射程序，该程序可以使用通用的4Nx4N矩阵方法准确计算任意N束衍射的任何几何结构。 DXRD还提供了一个映射程序，用于在方位-能量坐标系中绘制整个多束衍射线（单色器故障）。 所有这些功能使DXRD成为设计基于晶体的同步辐射/X射线光学器件（单色器、分析器、偏振器、相位板等）以及晶体表征、X射线光谱学和X射线衍射教学的便捷而强大的软件工具。