《中科大MS培训教程9画物质XRD图谱.pptVIP

利用Reflex模块画物质XRD图谱 唐家业 2010-10-11 Evaluation only. Created with Aspose.Slides for .NET 3.5 Client Profile 5.2.0.0. Copyright 2004-2011 Aspose Pty Ltd. XRD的分析的意义 X射线衍射(XRD)作为材料科学研究中的重要表征手段。具有简单易行，包含的信息丰富，如晶体的结构数据，晶体内部的缺陷以及多晶体聚合，相结构、晶粒尺寸与分布、晶体取向、各种层错等结构。 近年来由于计算机技术的发展，结合X射线技术在数据的采集和处理。特别是全谱拟合法对于晶体结构的测定和精修，对于XRD的发展起到了重大的作用。 Evaluation only. Created with Aspose.Slides for .NET 3.5 Client Profile 5.2.0.0. Copyright 2004-2011 Aspose Pty Ltd. 已知结构的XRD的计算 对于已知结构的材料，利用软件计算出理论的XRD数据，再与实验值进行比较，是数据分析中一种较为常用的方法。 找出已知结构的结构数据(空间群信息和晶体中原子坐标) 根据结构画出晶体结构 在根据晶体结构利用Material Studio软件中的Reflex模块计算得到XRD数据 Evaluation only. Created with Aspose.Slides for .NET 3.5 Client Profile 5.2.0.0. Copyright 2004-2011 Aspose Pty Ltd. BaSi6N8结构的XRD数据计算 晶体的空间群和晶体中各个原子的位置 Evaluation only. Created with Aspose.Slides for .NET 3.5 Client Profile 5.2.0.0. Copyright 2004-2011 Aspose Pty Ltd. 画出BaSi6N8的空间群结构 Evaluation only. Created with Aspose.Slides for .NET 3.5 Client Profile 5.2.0.0. Copyright 2004-2011 Aspose Pty Ltd. 画出BaSi6N8的空间群结构 Evaluation only. Created with Aspose.Slides for .NET 3.5 Client Profile 5.2.0.0. Copyright 2004-2011 Aspose Pty Ltd. 在结构中添加原子 Evaluation only. Created with Aspose.Slides for .NET 3.5 Client Profile 5.2.0.0. Copyright 2004-2011 Aspose Pty Ltd. 在结构中添加原子 Evaluation only. Created with Aspose.Slides for .NET 3.5 Client Profile 5.2.0.0. Copyright 2004-2011 Aspose Pty Ltd. 在结构中添加原子 Evaluation only. Created with Aspose.Slides for .NET 3.5 Client Profile 5.2.0.0. Copyright 2004-2011 Aspose Pty Ltd. BaSi6N8的结构 Evaluation only. Created with Aspose.Slides for .NET 3.5 Client Profile 5.2.0.0. Copyright 2004-2011 Aspose Pty Ltd. BaSi6N8的结构 Evaluation only. Created with Aspose.Slides for .NET 3.5 Client Profile 5.2.0.0. Copyright 2004-2011 Aspose Pty Ltd. BaSi6N8的结构 Evaluation only. Created with Aspose.Slides for .NET 3.5 Client Profile 5.2.0.0. Copyright 2004-2011 Aspose Pty Ltd. BaSi6N8的结构 Evaluation only. Created with Aspose.Slides for .NET 3.5 Client Profile 5.2.0.0.