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出版者:

作者:Dinnebier, Robert E. (EDT)/ Billinge, Simon J. L. (EDT)

出品人:

页数:604

译者:

出版时间:2008-3

价格:$ 129.95

装帧:

isbn号码:9780854042319

丛书系列:

图书标签:

• 粉末衍射
• X射线衍射
• 晶体结构
• 材料分析
• 衍射技术
• 结构表征
• 材料科学
• 固体物理
• 化学分析
• 物相鉴定

Powder Diffraction: A Cornerstone of Materials Science This book delves into the fundamental principles and diverse applications of powder diffraction, a powerful analytical technique that has become indispensable across numerous scientific disciplines. From its historical roots to cutting-edge advancements, Powder Diffraction provides a comprehensive exploration of how the interaction of X-rays (or neutrons, or electrons) with crystalline powders reveals crucial information about their atomic structure, phase composition, crystallite size, and lattice strain. The initial chapters lay a solid theoretical foundation, meticulously explaining the physics behind diffraction. Readers will gain a deep understanding of Bragg's Law, the reciprocal lattice concept, and the factors that influence diffraction peak intensity and shape. The book navigates the intricacies of crystal structures, detailing symmetry elements, space groups, and the process of indexing unknown diffraction patterns. Emphasis is placed on the practical aspects of data collection, including the selection of appropriate radiation sources, sample preparation techniques crucial for obtaining high-quality data, and the alignment and calibration of diffractometers. A thorough discussion of common experimental artifacts and troubleshooting strategies ensures that readers can confidently acquire reliable data. Moving beyond theory, the core of the book is dedicated to the interpretation and utilization of powder diffraction data. A significant portion is devoted to quantitative phase analysis, exploring various methods such as Rietveld refinement, Le Bail fitting, and the reference intensity ratio (RIR) method. The principles and practical implementation of each technique are clearly elucidated, with numerous examples illustrating their application in identifying and quantifying multiple crystalline phases within a sample. The book also thoroughly covers crystallite size and microstrain analysis, explaining how peak broadening phenomena can be deconvoluted to extract these vital microstructural parameters. The applications of powder diffraction are vast and varied, and this book showcases them with compelling case studies. Readers will discover how powder diffraction is used to characterize a wide range of materials, including: Inorganic Materials: The book details its role in the discovery and characterization of new mineral phases, the study of ceramic materials for technological applications, and the analysis of catalysts and pigments. The precise determination of unit cell parameters and phase transitions in oxides, sulfides, and other inorganic compounds is explored in depth. Organic and Pharmaceutical Materials: A substantial section is dedicated to the pharmaceutical industry, highlighting how powder diffraction is critical for identifying polymorphs, controlling crystal form, and ensuring the quality and bioavailability of drug substances. The analysis of organic functional materials, such as those used in organic electronics and sensors, is also discussed. Metals and Alloys: The book examines the use of powder diffraction in understanding the phase transformations, texture, and residual stress in metallic materials, crucial for their mechanical performance and reliability. Nanomaterials: With the burgeoning field of nanomaterials, the book addresses the specific challenges and adaptations required for the diffraction analysis of nanoparticles, nanorods, and other nanoscale crystalline entities, including their unique diffraction characteristics and size-dependent properties. Polymers and Composites: While often amorphous, crystalline regions within polymers and composites can be effectively studied using powder diffraction, providing insights into their structure-property relationships. Furthermore, Powder Diffraction delves into advanced topics and emerging trends. This includes the application of in-situ and operando diffraction techniques, allowing researchers to monitor structural changes in real-time during chemical reactions, phase transitions, or under varying external stimuli (temperature, pressure, electric fields). The use of synchrotron and neutron diffraction, offering enhanced resolution, flux, and penetration depth, is also explored, demonstrating their power in tackling complex structural problems and studying light elements. The integration of computational methods, such as first-principles calculations and machine learning, with experimental diffraction data is presented as a frontier in modern materials characterization. Throughout the book, the emphasis is on providing practical guidance. Readers will find detailed discussions on data processing workflows, from background subtraction and peak fitting to advanced structural modeling. Strategies for optimizing experimental parameters to achieve specific analytical goals are clearly outlined. The book aims to equip readers with the knowledge and skills to not only perform powder diffraction experiments but also to critically interpret the results and extract meaningful scientific insights. In essence, Powder Diffraction serves as an authoritative and accessible resource for students, researchers, and practitioners alike. It illuminates the power and versatility of this fundamental technique, enabling a deeper understanding of the crystalline world that underpins so many aspects of our material existence. Whether exploring novel materials, ensuring product quality, or unraveling complex structural puzzles, powder diffraction remains an indispensable tool, and this book is its definitive guide.

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我拿到这本书时，首先注意到的是它那近乎“古老”的排版风格，大量的文字堆砌和相对简朴的插图，让人感觉仿佛回到了上个世纪八十年代的专业书籍设计中。然而，一旦沉浸到内容中，这种老派的风格反而成了一种优势——它意味着内容是经过时间检验的、核心的、没有被花哨的视觉效果所稀释的纯粹知识。书中对衍射数据处理方法的介绍，简直是一场教科书级别的实践教学。它细致地讲解了从样品制备对衍射图谱可能造成的影响，到各种复杂背景扣除和峰形拟合的数学模型。坦白说，很多市面上的软件教程只会告诉你点击哪个按钮，但这本书却深入挖掘了这些按钮背后的数学逻辑。我曾经在一个模糊的峰形分析上困扰了数周，最终是翻阅这本书中关于非均匀应力和晶粒尺寸对峰展宽影响的章节，才找到了症结所在。这种手把手的理论指导，是那些速成指南永远无法企及的深度。它要求读者付出时间，但回报的知识深度绝对值得这份投资。

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这本书的结构组织非常有条理，它像是一部攀登珠穆朗玛峰的详尽地图。从最基础的晶体学几何原理开始，缓慢而坚定地爬升到复杂的衍射峰形分析和多相混合物的结构解析。我特别赞赏它在介绍特定衍射技术（比如高压、高温衍射）时所采取的对比性论述，这使得读者能够清晰地分辨出不同实验条件对衍射结果产生的系统性影响。虽然书中的示例数据和图谱看起来略显陈旧，但其所揭示的物理规律是永恒的。例如，关于衍射强度计算中结构因子对衍射峰强度的影响分析，作者用清晰的逻辑链条展示了原子位置和取代对衍射花样的决定性作用。对于想要从“使用软件”升级到“理解并设计实验”的研究生或青年学者而言，这本书提供了必要的思维框架。它不是一个快速解决问题的工具，而是一个帮助你建立坚固知识大厦的基石。

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阅读这部著作，与其说是“读”，不如说是“参阅”和“钻研”。它更像是一个资深同行在你身边，随时准备在你对某个概念产生疑惑时，递给你一份详尽的、带有历史渊源的解释。书中对衍射理论与实验误差的交织分析，尤其令人印象深刻。它清楚地阐明了，理论模型在应用于真实世界存在缺陷的晶体样品时，会受到诸多“噪音”的干扰。例如，书中对兰德尔-布拉格公式的修正部分，以及如何利用高角度区域的数据来最小化仪器效应，这些都是教科书上会一带而过，但在实际工作中却决定实验成败的关键点。这种对实验现实的深刻理解，使得本书的指导意见具有极强的操作性。尽管它的语言风格比较晦涩，不适合咖啡馆里放松地阅读，但每当我在实验数据遇到瓶颈时，总会习惯性地翻开它，寻找那一丝可以依赖的、坚实的理论支撑。

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这部厚重的文本，光是翻开它，就能感受到一股沉甸甸的学术气息扑面而来。它并不像那些时髦的科普读物那样轻快有趣，相反，它似乎是为那些已经在材料科学或物理学领域摸爬滚打多年的行家准备的案头工具书。书中的讨论深入到了晶体结构分析的微观层面，每一个公式、每一个图表都像是一把精密的解剖刀，将物质世界的结构细致地剥开给人看。我尤其欣赏它对衍射背后的物理原理的阐述，那种层层递进、抽丝剥茧的叙述方式，让人不得不佩服作者在这一领域的深厚功力。虽然阅读过程需要极大的专注力，时不时需要查阅前几章的基础知识来串联上下文，但当你真正领悟到某个复杂的衍射峰背后的意义时，那种“豁然开朗”的感觉是其他轻松读物无法给予的。这本书更像是一份严谨的实验手册与理论宝典的结合体，它不只是告诉你“是什么”，更会告诉你“为什么会是这样”，以及“如何精确地测量和解释它”。对于任何一个需要在实验室中依赖X射线衍射数据做出关键判断的研究人员来说，这本书无疑是一部不可或缺的“武功秘籍”。

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这本书给人的整体感觉是极度严谨且不留情面。它没有试图去“美化”衍射分析的复杂性。如果你期待的是一个快速入门指南，能够让你在几天内就能读懂一张简单的粉末衍射图谱，那么你可能会在第三章的群论和点群对称性分析那里彻底放弃。作者对待每一个细节都抱着一种近乎偏执的精确性，这对于基础研究人员是至关重要的，因为在最前沿的材料探索中，任何细微的误差都可能导致完全不同的结论。它详尽地列举了不同衍射仪器的几何误差来源及其校正方法，这部分内容对于那些需要进行高精度结构解析工作的用户来说，简直是黄金。我特别喜欢其中关于“相定量分析”那一块的论述，它不仅讨论了最常用的Rietveld精修方法，还回顾了早期的一些近似方法，并通过对比展示了现代方法的优越性，这种历史脉络的梳理，让读者对整个技术的发展有了更宏观的认识。

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