Download Семинар Центра рентгендифракционных исследований СПбГУ

Семинар ресурсного центра СПбГУ “Рентгенодифракционные методы исследования”
7 октября, 16.30
пер. Декабристов, 16; ауд. 110
ADVANCED MATERIALS ANALYSIS USING THE
POWDER DIFFRACTION FILE
Tom Blanton
International Centre for Diffraction Data
The Powder Diffraction File (PDF) contains over 785,000 entries in two
major databases. Release 2011 PDF-4+ contains predominately inorganic
materials and has 316,291 material data sets and 2012 PDF-4/Organics
containing mostly organic and pharmaceutical materials has 470,181
material data sets. Nearly 50,000 material analyses are currently being
edited and reviewed on an annual basis providing a constant source of new
high quality data. The higher quality is a result of recent global advances in
instrumentation and data analysis software, applied prior to publication, as
well as a vigorous editing and statistical review of compiled data after
publication, and before inclusion in the PDF. These developments mean
that materials can be identified, characterized and analyzed with an array
of new data mining tools backed by an extensive classified and
standardized database. The database itself can be data-mined to provide
insights into the materials state of matter, crystallinity, nano size, solid
solution behavior, polymorph composition and multi-phase composition
including quantitative analysis.
A brief history of the PDF and activities of the International Centre for
Diffraction Data (ICDD) will be presented, followed by a review of the new
PDF4 databases and examples demonstrating the use of the PDF for
materials characterization. After the presentation, a computer with both
PDF-4+ and PDF-4/Organics will be available for database evaluation.
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