{"status":"OK","msg":"Details loaded!","speaker":{"id":6,"speaker":"Tim Fawcett","sarx_lecture":"MATERIAL ANALYSIS BY X-RAY DIFFRACTION","sarx_lecture_abstract":"The Powder Diffraction File was first published 75 years ago. It was based on a 1938 publication in Industrial Engineering [1] entitled, \"Chemical Analysis by X-ray Diffraction\" which the editors described as a \"complete, new, workable system of analysis\". The first issue of The Powder Diffraction File (PDF\u2122) in 1941, not only contained a database, but the data were sorted in a specific sequence, so that one could use a file index and search\/match process (Hanawalt system) to identify unknowns.\r\n\r\nToday's databases use a relational database format with JAVA interfaces so that the data can be sorted and displayed. Embedded software uses 65 searches and 119 display fields all of which can be combined to produce an almost infinite variety of data mining possibilities. The data entries themselves not only contain diffraction data but also nomenclature, structural classifications, crystallographic and physical property data. This system has been developed by global scientists, many of whom are ICDD members, for the purpose of materials analysis and continuously evolves. In recent years we have focused on expanding the range of materials analyses to include non-crystalline and amorphous materials and modulated structures. In addition, the PDF and embedded software now has the ability to analyse data from any of the world's high energy neutron or synchrotron facilities. This enables users to analyse the data at the facility or local laboratory. Intense editorial review, quality assessment and structural classification has been applied to develop the world's most complete collections of minerals, metals and alloys, ceramics and pharmaceuticals. Quality review and classification improves the accuracy of material identification and quantitative analysis. A large number of software applications have been embedded with the database to provide a wide range of materials analysis, these will be reviewed and described.","earj_lecture":"METHODS FOR USING THE POWDER DIFFRACTION FILE\u2122 IN CULTURAL HERITAGE STUDIES","earj_lecture_abstract":"The analysis of cultural heritage objects often presents numerous challenges to the analyst. The objects are often priceless and need to be analyzed in a non-invasive and non-destructive manner. The materials themselves can be crystalline, non-crystalline or partially crystalline and are frequently complex mixtures and blends. Fundamental assumptions used in the field of powder diffraction of having a well-crystalline, randomly oriented powder in the perfect focal position of the diffractometer are rarely achieved and often impossible to obtain. This means data are collected from an imperfect specimen then are compared to data from perfect references in order to identify the materials of interest. \r\n\r\nThe Powder Diffraction File was first published 75 years ago in 1941. The first issue of The Powder Diffraction File (PDF\u2122) in 1941, not only contained a database, but the data were sorted in a specific sequence, so that one could use a file index and search\/match process (Hanawalt system) to identify unknowns.[1] Today's databases uses a relational database format with JAVA interfaces so that the data can be sorted and displayed. Embedded software uses 65 searches and 119 display fields all of which can be combined to produce an almost infinite variety of data mining possibilities. The data entries themselves not only contain diffraction data but also nomenclature, structural classifications, crystallographic and physical property data. To help scientists analyze \"imperfect\" data the ICDD has developed a number of embedded algorithms including means of analyzing crystallize size, specimen displacement and molecular orientation that are necessary in the analysis of solid objects versus random powders. The database uses a system of 52 subfiles and subclassification to assist in targeting the appropriate materials for the appropriate analysis. The classification system includes fundamental subfiles on metals, alloys and minerals but also subfiles on pigments and dyes, polymers (including many natural products), ceramics and cements. Fundamentally this means that we many not only be able to identify the material but characterize its crystallite size and molecular orientation which may be signatures on how and when the object was fabricated. ","country":"USA","institution":"The International Centre for Diffraction Data (USA)","earj":1,"sarx":1,"duration":30,"short_bio":"Tim Fawcett began his career receiving his B.S. in Chemistry at the University of Massachusetts and a Ph.D. degree in Inorganic Chemistry at Rutgers University. At Rutgers he combined x-ray crystallography with various spectroscopy techniques to study amino acids, chromophores of metalloproteins, and cupruretic agents for Wilson's disease. He was hired into the x-ray diffraction laboratory of the Analytical Sciences Department of the Dow Chemical Company in Midland, Michigan. During the next 10 years, he worked in the x-ray diffraction laboratory performing a wide range of analyses of corrosion products, inorganic materials, advanced ceramics, catalysts, pharmaceuticals and polymers. He eventually managed the inorganic analysis laboratories in Analytical Sciences, that included XRD, XRF, NAA, AA, ICP, AES, CHN, IC and electrochemical analyses. He worked with a team of scientists that developed and patented the simultaneous DSC\/XRD\/MS instrument, which won an IR-100 award in 1987. From 1986 to 1988 he served on the Board of Directors for the ICDD. During the 1990's, Tim managed several new product development groups in advanced materials, electronics, coatings, dispersions, ceramics and automotive components for different business organizations within the Dow Chemical Company. He became an ICDD fellow in 2000 and joined the ICDD as Executive Director in 2001. During his career, Tim has authored 35 publications, been a frequent guest lecturer, and presented several papers and workshops at global X-ray conferences. Several of his publications have been incorporated in the book, Methods & Practices in X-ray Diffraction, published by the ICDD. As Executive Director he has directed and participated in the dramatic growth of the Powder Diffraction File to ~600,000 entries which is now used by scientists in over 100 countries.","cvlink":"http:\/\/www.icdd.com\/profile\/bod\/fawcett.htm","picture":"http:\/\/sarx2016.nbcgib.uesc.br\/speaker\/6\/picture","email":"fawcett@icdd.com","cvfile":null,"created_at":"-0001-11-30 00:00:00","updated_at":"2016-08-24 22:31:53","lecture":"METHODS FOR USING THE POWDER DIFFRACTION FILE\u2122 IN CULTURAL HERITAGE STUDIES","abstract":"The analysis of cultural heritage objects often presents numerous challenges to the analyst. The objects are often priceless and need to be analyzed in a non-invasive and non-destructive manner. The materials themselves can be crystalline, non-crystalline or partially crystalline and are frequently complex mixtures and blends. Fundamental assumptions used in the field of powder diffraction of having a well-crystalline, randomly oriented powder in the perfect focal position of the diffractometer are rarely achieved and often impossible to obtain. This means data are collected from an imperfect specimen then are compared to data from perfect references in order to identify the materials of interest.
\r\n
\r\nThe Powder Diffraction File was first published 75 years ago in 1941. The first issue of The Powder Diffraction File (PDF\u2122) in 1941, not only contained a database, but the data were sorted in a specific sequence, so that one could use a file index and search\/match process (Hanawalt system) to identify unknowns.[1] Today's databases uses a relational database format with JAVA interfaces so that the data can be sorted and displayed. Embedded software uses 65 searches and 119 display fields all of which can be combined to produce an almost infinite variety of data mining possibilities. The data entries themselves not only contain diffraction data but also nomenclature, structural classifications, crystallographic and physical property data. To help scientists analyze \"imperfect\" data the ICDD has developed a number of embedded algorithms including means of analyzing crystallize size, specimen displacement and molecular orientation that are necessary in the analysis of solid objects versus random powders. The database uses a system of 52 subfiles and subclassification to assist in targeting the appropriate materials for the appropriate analysis. The classification system includes fundamental subfiles on metals, alloys and minerals but also subfiles on pigments and dyes, polymers (including many natural products), ceramics and cements. Fundamentally this means that we many not only be able to identify the material but characterize its crystallite size and molecular orientation which may be signatures on how and when the object was fabricated. "}}