Discover data analytics methodologies for the diagnosis and prognosis of industrial systems under a unified random effects model In Industrial Data Analytics for Diagnosis and Prognosis - A Random Effects Modelling Approach, distinguished engineers Shiyu Zhou and Yong Chen deliver a rigorous and practical introduction to the random effects modeling approach for industrial system diagnosis and prognosis. In the book's two parts, general statistical concepts and useful theory are described and explained, as are industrial diagnosis and prognosis methods. The accomplished authors describe and model fixed effects, random effects, and variation in univariate and multivariate datasets and cover the application of the random effects approach to diagnosis of variation sources in industrial processes. They offer a detailed performance comparison of different diagnosis methods before moving on to the application of the random effects approach to failure prognosis in industrial processes and systems. In addition to presenting the joint prognosis model, which integrates the survival regression model with the mixed effects regression model, the book also offers readers: A thorough introduction to describing variation of industrial data, including univariate and multivariate random variables and probability distributions Rigorous treatments of the diagnosis of variation sources using PCA pattern matching and the random effects model An exploration of extended mixed effects model, including mixture prior and Kalman filtering approach, for real time prognosis A detailed presentation of Gaussian process model as a flexible approach for the prediction of temporal degradation signals Ideal for senior year undergraduate students and postgraduate students in industrial, manufacturing, mechanical, and electrical engineering, Industrial Data Analytics for Diagnosis and Prognosis is also an indispensable guide for researchers and engineers interested in data analytics methods for system diagnosis and prognosis.

The classic book that presents a unified approach to crystallography and the defects found within crystals, revised and updated This new edition of Crystallography and Crystal Defects explains the modern concepts of crystallography in a clear, succinct manner and shows how to apply these concepts in the analyses of point, line and planar defects in crystalline materials. Fully revised and updated, this book now includes: Original source references to key crystallographic terms familiar to materials scientists Expanded discussion on the elasticity of cubic materials New content on texture that contains more detail on Euler angles, orientation distribution functions and an expanded discussion on examples of textures in engineering materials Additional content on dislocations in materials of symmetry lower than cubic An expanded discussion of twinning which includes the description and classification of growth twins The inclusion and explanation of results from atomistic modelling of twin boundaries Problem sets with new questions, detailed worked solutions, supplementary lecture material and online computer programs for crystallographic calculations. Written by authors with extensive lecturing experience at undergraduate level, Crystallography and Crystal Defects, Third Edition continues to take its place as the core text on the topic and provides the essential resource for students and researchers in metallurgy, materials science, physics, chemistry, electrical, civil and mechanical engineering.

Miniaturized Analytical Devices An in-depth overview of integrating functionalized nanomaterials with mass spectrometry, spectroscopy, electrophoresis, and other important analytical techniques Miniaturized Analytical Devices: Materials and Technology is an up-to-date resource exploring the analytical applications of miniaturized technology in areas such as clinical microbiology, pharmaceuticals, agriculture, and environmental analysis. The book covers the integration of functional nanomaterials in mass spectrometry, microscopy, electrophoresis, and more--providing the state-of-the-art information required for successfully implementing a range of chemical analysis techniques on microchips. Featuring contributions from a panel of international experts in the field, the book begins with an introduction to selected miniaturized devices, nanomaterials, and analytical methods. Subsequent sections describe functionalized nanomaterials (FNMs) for miniaturized devices and discuss techniques such as miniaturized mass spectrometry for bioassays and miniaturized microscopy for cell imaging. The book concludes by exploring a variety of applications of miniaturized devices in areas including metal analysis, bioimaging, DNA separation and analysis, molecular biology, and more. This timely volume: Surveys the current state of the field and provides a starting point for developing faster, more reliable, and more selective analytical devices Focuses on the practical applications of miniaturized analytical devices in materials science, clinical microbiology, the pharmaceutical industry, and environmental analysis Covers a wide range of materials and analytical techniques such as microvolume UV-VIS spectroscopy, microchip and capillary electrophoresis, and matrix assisted laser desorption ionization-mass spectrometry (MALDI-MS) analysis Discusses the role of miniaturized analytical devices in securing a green and sustainable future Miniaturized Analytical Devices: Materials and Technology is essential reading for analytical chemists, analytical laboratories, materials scientists, biologists, life scientists, and advanced students in related fields.

Battery Technologies A state-of-the-art exploration of modern battery technology In Battery Technologies: Materials and Components, distinguished researchers Dr. Jianmin Ma delivers a comprehensive and robust overview of battery technology and new and emerging technologies related to lithium, aluminum, dual-ion, flexible, and biodegradable batteries. The book offers practical information on electrode materials, electrolytes, and the construction of battery systems. It also considers potential approaches to some of the primary challenges facing battery designers and manufacturers today. Battery Technologies: Materials and Components provides readers with: A thorough introduction to the lithium-ion battery, including cathode and anode materials, electrolytes, and binders Comprehensive explorations of lithium-oxygen batteries, including battery systems, catalysts, and anodes Practical discussions of redox flow batteries, aqueous batteries, biodegradable batteries, and flexible batteries In-depth examinations of dual-ion batteries, aluminum ion batteries, and zinc-oxygen batteries Perfect for inorganic chemists, materials scientists, and electrochemists, Battery Technologies: Materials and Components will also earn a place in the libraries of catalytic and polymer chemists seeking a one-stop resource on battery technology.

Two large international conferences on Advances in Engineering Sciences were held in Hong Kong, March 18-20, 2015, under the International MultiConference of Engineers and Computer Scientists (IMECS 2015), and in London, UK, 1-3 July, 2015, under the World Congress on Engineering (WCE 2015) respectively. This volume contains 35 revised and extended research articles written by prominent researchers participating in the conferences. Topics covered include engineering mathematics, computer science, electrical engineering, manufacturing engineering, industrial engineering, and industrial applications. The book offers state-of-the-art advances in engineering sciences and also serves as an excellent reference work for researchers and graduate students working with/on engineering sciences.

This textbook introduces the reader to the elementary chemistry on which materials science depends by discussing the different classes of materials and their applications. It shows the reader how different types of materials are produced, why they possess specific properties, and how they are used in technology. Each chapter contains study questions to enable discussions and consolidation of the acquired knowledge. The new edition of this textbook is completely revised and updated to reflect the significant expansion of the field of materials chemistry over the last years, covering now also topics such as graphene, nanotubes, light emitting diodes, extreme photolithography, biomedical materials, and metal organic frameworks. From the reviews of the first edition: "This book is not only informative and comprehensive for a novice reader, but also a valuable resource for a scientist and/or an industrialist for new and novel challenges." (Materials and Manufacturing Process, June 2009) "Allcock provides a clear path by first describing basic chemical principles, then distinguishing between the various major materials groups, and finally enriching the student by offering a variety of special examples." (CHOICE, April 2009) "Proceeding logically from the basics to materials in advanced technology, it covers the fundamentals of materials chemistry, including principles of materials synthesis and materials characterization methods." (Internationale Fachzeitschrift Metall, January 2009)

This proceedings consists of selected papers presented at the 3rd International Conference on Application of Materials Science and Environmental Materials (AMSEM2015), which was successfully held on Phuket Island, Thailand, between October 01-03, 2015.Building on the success of AMSEM2013 and AMSEM2014, AMSEM2015 continues to provide a forum for academic scientists, leading engineers, industry researchers and doctoral students to exchange and share their experience and research results, so as to promote the advancement in Materials Engineering, Environments Materials and Material Science.AMSEM2015 attracted more than 80 submissions. Among them, only 33 papers were accepted into the conference after a stringent peer review process. It is hoped that this book will provide readers with a broad overview of the latest advances on the above areas, and also serve as a good reference for academic research and industrial professionals.

Advances in Mechanics: Theoretical, Computational and Interdisciplinary Issues covers the domain of theoretical, experimental and computational mechanics as well as interdisciplinary issues, such as industrial applications. Special attention is paid to the theoretical background and practical applications of computational mechanics. This volume contains 132 contributions presented at the PCM-CMM-2015 Congress held on 8-11 September, 2015 in Gdansk, Poland. The Congress is a joint scientific event of the 3rd Polish Congress of Mechanics (PCM) and the 21st International Conference on Computer Methods in Mechanics (CMM). Advances in Mechanics: Theoretical, Computational and Interdisciplinary Issues will be of interest to researchers and designers dealing with mechanics and its applications.

Advances in Superalloys and High Temperature Intermetallics (J.K. Tien et al.). Influence of the Superplastic Metals on the Future of the Metal Forming Industry (G. Torres-Villasenor). Advanced Aerospace Materials (F.H. Froes et al.). Microalloyed Steels (L. Martinez). Future Ferrous Technologies (H.W. Paxton). Advanced High Temperature Corrosion Sciences (N. Birks et al.). Engineering Materials (V.M. Castano et al.). Advanced Textile Structural Composites (F.K. Ko). Cracking and Fatigue in FiberReinforced Metal and Ceramic Matrix Composites (A.G. Evans, F.W. Zok). Metallurgy of Permanent Magnet Alloys (L. Rabenberg). Electron Tunneling in Superconductors Ba-K-Bi-O (R. Escudero). Vapor Deposition Processing (S. Purushothaman et al.). Thin Films for Photovoltaic Applications (R. Asomoza et al.). Optical Properties of New Materials (R.G. Barrera). 6 additional articles. Index.

With the rapid development of machinery, materials science and energy engineering technology in China, new theories and application results constantly appear. Higher and newer requirements in these fields are sought by business enterprises and members of the engineering profession.This conference was held to further promote the exchange and cooperation among local researchers, to upgrade the academic standards and international influence on the study of these fields in China, and to play a positive role in bridging the gap with the international research community.This volume consists of 106 peer-reviewed articles by local and foreign eminent scholars which cover the frontiers and hot topics in machinery and process equipment, materials science, energy engineering and mechatronics.

With the rapid development of Machinery, Materials Science and Engineering Application, discussion on new ideas related mechanical engineering and materials science arise. In this proceedings volume the author(s) are focussed on Machinery, Materials Science and Engineering Applications and other related topics. The Conference has provided a valuable opportunity for researchers ,scholars and scientists to exchange their ideas. The conference organization aims to strengthen national academic exchanges and cooperations in the field, promote the rapid development of machinery, materials science and engineering application, effectively improve academic status and international influence of China's machinery, materials science and engineering applications and play an active role to reduce the distance between domestic related disciplines and international themes. The 5th MMSE 2015 is sponsored by Hubei University. Co-sponsors: University of Huddersfield, UK University of Teesside, UK University of Nottingham, UK Worcester Polytechnic Institute, USA Dong-Eui University, Korea Hubei Mechanical Engineering Society, China Chinese Mechanical Engineering Society

Everything engineers need to know about mechanical vibration and shock...in one authoritative reference work

This fully updated and revised 3rd edition addresses the entire field of mechanical vibration and shock as one of the most important types of load and stress applied to structures, machines and components in the real world. Examples include everything from the regular and predictable loads applied to turbines, motors or helicopters by the spinning of their constituent parts to the ability of buildings to withstand damage from wind loads or explosions, and the need for cars to maintain structural integrity in the event of a crash. There are detailed examinations of underlying theory, models developed for specific applications, performance of materials under test conditions and in real-world settings, and case studies and discussions of how the relationships between these affect design for actual products.

Invaluable to engineers specializing in mechanical, aeronautical, civil, electrical and transportation engineering, this reference work, in five volumes is a crucial resource for the solution of shock and vibration problems.

This volume focuses on specification development in accordance with the principle of tailoring. Extreme response and the fatigue damage spectra are defined for each type of stress (sinusoidal vibration, swept sine, shock, random vibration, etc.). The process for establishing a specification from the life cycle profile of equipment which will be subject to these types of stresses is then detailed. The analysis takes into account the uncertainty factor, designed to cover uncertainties related to the real-world environment and mechanical strength, and the test factor, which takes account of the number of tests performed to demonstrate the resistance of the equipment.

Biomedical Engineering An exploration of materials processing and engineering technology across a wide range of medical applications The field of biomedical engineering has played a vital role in the progression of medical development technology. Biomedical Engineering: Materials, Technology, and Applications covers key aspects of the field—from basic concepts to advanced level research for medical applications. The book stands as a source of inspiration for research on materials as well as their development and practical application within specialized industries. It begins with a discussion of what biomedical engineering is and concludes with a final chapter on the advancements of biomaterials technology in medicine. Offers comprehensive coverage of topics, including biomaterials, tissue engineering, bioreceptor interactions, and various medical applications Discusses applications in critical industries such as biomedical diagnosis, pharmaceutics, drug delivery, cancer detection, and more Serves as a reference for those in scientific, medical, and academic fields Biomedical Engineering takes an interdisciplinary look at how biomedical science and engineering technology are integral to developing novel approaches to major problems, such as those associated with disease diagnosis and drug delivery. By covering a full range of materials processing and technology-related subjects, it shares timely information for biotechnologists, material scientists, biophysicists, chemists, bioengineers, nanotechnologists, and medical researchers.

Applied Mechanics with SolidWorks aims to assist students, designers, engineers, and professionals interested in using SolidWorks to solve practical engineering mechanics problems. It utilizes CAD software, SolidWorks-based, to teach applied mechanics. SolidWorks here is presented as an alternative tool for solving statics and dynamics problems in applied mechanics courses.Readers can follow the steps described in each chapter to model parts and analyze them. A significant number of pictorial descriptions have been included to guide users through each stage, making it easy for readers to work through the text on their own.Instructional support videos showing the motions and results of the dynamical systems being analyzed and SolidWorks files for all problems solved are available to lecturers and instructors for free download.

Materials are the foundation of technology. As such, most universities provide engineering undergraduates with the fundamental concepts of materials science, including crystal structures, imperfections, phase diagrams, materials processing, and materials properties. Few, however, offer the practical, applications-oriented background that their students need to succeed in industry.

Applied Materials Science: Applications of Engineering Materials in Structural, Electronics, Thermal, and Other Industries fills that gap. From a cross-disciplinary perspective that reflects both the multifunctionality of many materials and the wide scope industrial needs, the author examines the practical applications of metal, ceramic, polymer, cement, carbon, and composite materials across a broad range of industries. The topics addressed include electronic packaging, smart materials, thermal management, nondestructive evaluation, and materials development. The text is clear, coherent, and tutorial in style, includes numerous up-to-date references, and provides background material in a series of appendices.

Unique in its breadth of coverage of both materials and their applications, Applied Materials Science is both scientifically rich and technologically relevant. If you work or teach those that aspire to work in an engineering capacity, you will find no text or reference that better prepares its readers for real-world applications of engineering materials.

Fulfill the practical potential of DOE–with a powerful, 16-step approach for applying the Taguchi method

Over the past decade, Design of Experiments (DOE) has undergone great advances through the work of the Japanese management guru Genechi Taguchi. Yet, until now, books on the Taguchi method have been steeped in theory and complicated statistical analysis. Now this trailblazing work translates the Taguchi method into an easy-to-implement 16-step system.

Based on Ranjit Roy’s successful Taguchi training course, this extensively illustrated book/CD-ROM package gives readers the knowledge and skills necessary to understand and apply the Taguchi method to engineering projects–from theory and applications to hands-on analysis of the data. It is suitable for managers and technicians without a college-level engineering or statistical background, and its self-study pace–with exercises included in each chapter–helps readers start using Taguchi DOE tools on the job quickly. Special features include:

• An accompanying CD-ROM of Qualitek-4 software, which performs calculations and features all example experiments described in the book
• Problem-solving exercises relevant to actual engineering situations, with solutions included at the end of the text
• Coverage of two-, three-, and four-level factors, analysis of variance, robust designs, combination designs, and more

Engineers and technical personnel working in process and product design–as well as other professionals interested in the Taguchi method–will find this book/CD-ROM a tremendously important and useful asset for making the most of DOE in their work.

Teaches Readers How to Apply a Structured Problem-Solving Methodology for Industrial Fields Based on Sound Scientific Principles As modern industrial processes have become increasingly complex, complicated multi-factor problems have emerged. These complex problems end up costing companies millions of dollars every day. Existing problem-solving techniques are only effective to a certain point. This book provides a solution to a myriad of industrial problems by using first principles and rigorous hypothesis testing. Key topics covered within the work include: How to use the latest research, advanced modeling, big data mining, analytical testing, and many other techniques to systematically create and test hypotheses surrounding why a process is malfunctioning How to use scenario development to frame a team's understanding of why a process is malfunctioning How to approach today's lack of experienced industrial workers, whose failure to approach problem solving from first fundamentals are causing myriad of inefficiencies in industry How to use multiple methodologies together with an emphasis on first principles and mechanistic math modeling as a basis to industrial problem solving Engineers of any discipline working in both research and development of manufacturing environments, along with professionals in any industrial discipline looking to reduce costs will be able to use this work to both understand and pragmatically solve the pressing issues we see in today's industrial market.

Engineers and reliability professionals are increasingly being held accountable for materials and spare parts inventory management and in response they need to gain a better understanding of materials and spare parts inventory management principles and practices. This practical book delivers just that. This new edition will help you get the right parts, in the right place, at the right time, for the right reason. Fully revised, it provides specific coverage of the issues faced in, and requirements for, managing engineering materials and spare parts and what to do to improve your results. It includes 29 exclusive examples and real life case studies to demonstrate the application of the concepts and ideas so that you will easy and quickly understand how to implement them. What's more it will show you: What to do to truly optimize your inventory holdings, Why inventory levels are almost always too high, How to identifying the factors that have greatest impact on your inventory levels, When to apply the 7 Actions for Inventory Reduction, Where to focus your efforts for greatest effect, and Who to involve in taking action. The concepts, ideas, tools, and processes in this book have helped many companies achieve and sustain results that other inventory tools and approaches just could not match. And it is sure to help you achieve true inventory optimization as well! The second edition includes... A new chapter on The Mechanics of Inventory Management, a pragmatic review of the management of inventory including... Introducing the Materials and Inventory Management Cycle, Comparing theoretical and actual inventory outcomes, Discussion on normal and Poisson distribution models, How to determine the re order point, How to determine the re order quantity, and Commentary on Monte Carlo simulation. An expanded chapter on the financial impact of inventory, including a discussion of the key reports that need to be understood. Chapters on the influence of policies, procedures, and people. Additional discussion on issues faced and how to address them. An expansion of the central process discussed in the first edition to a more comprehensive review process...Inventory Process (TM) Optimization. An expanded section on executing an inventory review program. A closing 'where to from here' chapter. 57 figures and diagrams - 30 of them new and the others all revised and updated and six new tables (with 8 in total). Eight new checklists - specifically included as a new tool for the reader and is the result of direct reader requests. An expanded glossary. Introduction to Smart Inventory Solutions The Mechanics of Inventory Management The Financial Impact of Inventory People and Processes. Policies & Procedures Issues, Myths and a Few Home Truths The Spare Parts Storeroom The 7 Actions for Inventory Reduction Inventory Process Optimization Executions: Taking Action to Achieve Results Case Studies Where to From Here? Bibliography Appendix A: Materials and Inventory Management Glossary Appendix B: Data Collection Questions Index

Everything engineers need to know about mechanical vibration and shock...in one authoritative reference work

This fully updated and revised 3rd edition addresses the entire field of mechanical vibration and shock as one of the most important types of load and stress applied to structures, machines and components in the real world. Examples include everything from the regular and predictable loads applied to turbines, motors or helicopters by the spinning of their constituent parts to the ability of buildings to withstand damage from wind loads or explosions, and the need for cars to maintain structural integrity in the event of a crash. There are detailed examinations of underlying theory, models developed for specific applications, performance of materials under test conditions and in real-world settings, and case studies and discussions of how the relationships between these affect design for actual products.

Invaluable to engineers specializing in mechanical, aeronautical, civil, electrical and transportation engineering, this reference work, in five volumes is a crucial resource for the solution of shock and vibration problems.

The relative and absolute response of a mechanical system with a single degree of freedom is considered for an arbitrary excitation, and its transfer function is defined in various forms. The characteristics of sinusoidal vibration are examined in the context both of the real world and of laboratory tests, and for both transient and steady state response of the one-degree-of-freedom system. Viscous damping and then non-linear damping are considered. The various types of swept sine perturbations and their properties are described and, for the one-degree-of-freedom system, the consequence of an inappropriate choice of sweep rate are considered. From the latter, rules governing the choice of suitable sweep rates are then developed.

There are various techniques to optimize either structural parameters, or structural controllers, but there are not many techniques that can simultaneously optimize the structural parameters and controller. The advantage of integrating the structural and controller optimization problems is that structure and controller interaction is taken into account in the design process and a more efficient overall design (lower control force/lighter weight) can be achieved, and also multidisciplinary design optimization can be performed. The down side is that the combined optimization problem is more difficult to formulate and solve, and computations are increased. This volume is a comprehensive treatment of dynamic analysis and control techniques in structural dynamic systems and the wide variety of issues and techniques that fall within this broad area, including the interactions between structural control systems and structural system parameters.

This important monograph is the first comprehensive compendium of engineering models used in high-speed penetration mechanics.The book consists of two parts. The first part (more than a quarter of the book's content) is in fact a handbook giving a very detailed summary of the engineering models used for the analysis of high-speed penetration of rigid projectiles into various media (concrete, metals, geological media). The second part of the book demonstrates the possibilities and efficiency of using approximate models for investigating traditional and nontraditional problems of penetration mechanics.Different chapters in the books are devoted to different classes of problems and can be read independently. Each chapter is self-contained, which includes a comprehensive literature survey of the topic, and carries a list of used notations. The bibliography includes more than 700 references.This monograph is a reliable and indispensable reference guide for anyone interested in using engineering models in high-speed penetration mechanics.

Provides a student-friendly approach for building the skills required to perform mechanical design calculations Design of Mechanical Elements offers an accessible introduction to mechanical design calculations. Written for students encountering the subject for the first time, this concise textbook focuses on fundamental concepts, problem solving, and methodical calculations of common mechanical components, rather than providing a comprehensive treatment of a wide range of components. Each chapter contains a brief overview of key terminology, a clear explanation of the physics underlying the topic, and solution procedures for typical mechanical design and verification problems. The textbook is divided into three sections, beginning with an overview of the mechanical design process and coverage of basic design concepts including material selection, statistical considerations, tolerances, and safety factors. The next section discusses strength of materials in the context of design of mechanical elements, illustrating different types of static and dynamic loading problems and their corresponding failure criteria. In the concluding section, students learn to combine and apply these concepts and techniques to design specific mechanical elements including shafts, bolted and welded joints, bearings, and gears. Provides a systematic "recipe" students can easily apply to perform mechanical design calculations Illustrates theoretical concepts and procedures for solving mechanical design problems with numerous solved examples Presents easy-to-understand explanations of the considerations and assumptions central to mechanical design Includes end-of-chapter practice problems that strengthen the understanding of calculation techniques Supplying the basic skills and knowledge necessary for methodically performing basic mechanical design calculations, Design of Mechanical Elements: A Concise Introduction to Mechanical Design Considerations and Calculations is the perfect primary textbook for single-semester undergraduate mechanical design courses.

Reliable and effective control systems are a critical component of safe and profitable operations across process industries. And many of our industrial facilities today continue to operate using legacy control systems from the past four decades that are at or near the end of their lifecycles. Migration projects to modern control systems are complex, requiring detailed upfront planning, a methodical implementation strategy and astute project management.This comprehensive collection of best practices guides you to control system migration success! Simple to follow for a broad range of control system experience levels, the handbook is: A practical application guide to walk you through the entire process from justification to vendor selection to cutover to close-out of the migration projectA thorough resource to aid the identification of common and high-risk challenges and to offer innovative, proven solutionsA concise primer of project management covering both the technical aspects of projects and the intangible factors for successA valuable roadmap providing real-world examples and anecdotes as well as usable checklists

An authoritative, updated text that offers an introduction to crystals and crystal structure with coverage of crystallography, and microscopy of materials Written in a friendly, non-mathematical style, the updated second edition of Crystals and Crystal Structures offers a comprehensive exploration of the key elements of crystals and crystal structures. Starting with the basics, it includes information on multiple areas of crystallography, including modulated structures, quasicrystals and protein crystallography, and interdisciplinary applications as diverse as the relationship between physical properties and symmetry. To enhance comprehension of the material presented, the book contains a variety of problems and exercises. The revised second edition offers new material and updates in the field including: An introduction to the use of high intensity X-ray analysis of protein structures Advances in imaging, scanning electron microscopy, and cryo-electron microscopy The relationship between symmetry and physical properties highlighting new findings and an introduction to tensor notation in describing these relationships in a concise fashion Nanoparticles as well as crystallographic aspects, defects, surface defects and the impact of these crystallographic features on properties Perovskite structures and their variations and the inclusion of their wide-ranging properties Written for students ofcrystallography, chemistry, physics, materials science, biosciences and geology, Crystals and Crystal Structures, Second Edition provides an understanding of the subject and enables students to read scientific papers and articles describing a crystal structure or use crystallographic databases.