XXI CONFERENCE ON APPLIED CRYSTALLOGRAPHY

XXI CONFERENCE ON APPLIED CRYSTALLOGRAPHY 20 - 24 September 2009 SECOND CIRCULAR AND CALL FOR ABSTRACT PDF4+ Users Workshop 24 September 2009 Summer...
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XXI CONFERENCE ON APPLIED CRYSTALLOGRAPHY 20 - 24 September 2009 SECOND CIRCULAR AND CALL FOR ABSTRACT

PDF4+ Users Workshop 24 September 2009

Summer School on Polycrystalline Structure Determination and

Summer School on TEM Methods 25 - 27 September 2009

Zakopane, Poland University of Silesia Committee of Crystallography and Committee of Material Science of Polish Academy of Sciences

XXI Conference on Applied Crystallography Held under the Auspices of the Rector of the University of Silesia, Prof. zw. dr hab. Wiesław Banyś

International Committee Robert Dinnebier, Germany Andrew Fitch, France Carmelo Giacovazzo, Italy Fujio Izumi, Japan Bogdan Kotur, Ukraina Janos Labar, Hungary Ian Madsen, Australia Henryk Morawiec, Poland Jean Poul Mornirolli, France Reinhard Neder, Germany Vaclaw Petricek, Czech Republic Paolo Scardi, Italy Veniamin Sh. Shekhtman, Russia Lubomir Smrcok, Slovakia Danuta Stróż, Poland (chair) Marek Wołcyrz, Poland

Organising Committee Honorary Chairman: Chairman: Secretary: Members:

Henryk Morawiec Danuta Stróż Małgorzata Karolus Mirosław Grzegrzółka Zdzisław Lekston Józef Lelątko Eugeniusz Łągiewka Krystian Prusik Dorota Skowrońska

Secretariat Dr Małgorzata Karolus University of Silesia Institute of Material Science ul. Bankowa 12, 40-007 Katowice, Poland tel/fax: (48 32) 359 21 33 e-mail: [email protected] http://crystallography.us.edu.pl

General Information The XXI Conference on Applied Crystallography (XXI CAC) organised jointly by the University of Silesia and the Polish Academy of Sciences will be held on September 20 – 24, 2009, in Zakopane, Poland. It will be followed by the PDF4+ Users Workshop (September 24 2009), the Summer School on Polycrystalline Structure Determination and the Summer School on TEM Methods (September 25 – 27, 2009). The Conference will provide a platform for crystallographers, material scientists and solid state physicists to discuss methods and techniques used in crystallography studies, to present their recent achievements in solving different material problems, to promote new ideas in the field of material science. The conference programme will include oral and poster presentations covering both the fundamental and applied research. The Schools will give an opportunity for its participants to gain the theoretical and practical knowledge on the crystal structure solution from powder diffraction data using direct methods.

Conference Topics The programme will cover methods of structural investigations of materials to be used in industrial practice as well as real structure of such materials. The following topics are suggested: •

Development of methods and techniques in the X-ray studies - quantitative analysis - crystal structure refinement with the Rietveld method - stress, strain and crystallite size determination - small angle scattering

• • • • •

Crystal structure determination methods Crystallography of phase transformations Crystallography computing – software and data bases Texture analysis of materials Material structure - metals and alloys - ceramics - polymers - thin films - quasicrystals - amorphous materials - nanomaterials - molecular crystals - structure of interfaces

Venue The Conference and the Schools will be held in the Kasprowy Hotel in Zakopane, where the participants will be accommodated. The Hotel address is: Szymaszkowa str., 34500 Zakopane, Polska. Tel.: +48(0)182024000, fax: +48(0)182024024 (www.kasprowy.pl) The registration desk will be open in the hotel Main Hall from 16.00 on Sunday September 20th, 2009. Registration for the School participants will take place on Thursday, September 24, from 13.00. More information can be obtained from the Conference Office at the University of Silesia, tel/fax: 48-32-359 2133. The conference office will deal with all inquiries regarding the conference and the accompanying schools.

Arriving in Zakopane The closest to Zakopane international airports is in Balice (Kraków). The airport has direct bus and train connection with Cracow centre. The organisers will provide coach transport for the conference participants from Katowice to Zakopane on Sunday 20th September, 2009 and after the conference from Zakopane to Katowice on Thursday 24th September, 2009. The participants wishing to use this possibility are requested to indicate their choice while registering via the conference website or by e-mail to the Secretary Office.

Language The conference and school language will be English.

Exhibitions Institutions and companies are encouraged to present their exhibitions during the conference. These may include research instrumentation and services, state-of-art, products and technology as well as institutional exhibits. For detailed information, please contact the Secretary Office.

Calendar March 31, 2009 Deadline for submission of abstracts and sponsorship applications May 15, 2009 Notification of the authors about acceptance May 31, 2009 Deadline for payment

Abstract Submission Authors are invited to submit an abstract before 31 March 2009 (about 400 words, one page maximum, including the title, author affiliation, full mailing address of all authors). The contact author should be indicated by underlining his/her name. Abstracts should be submitted via conference website: http://crystallography.us.edu.pl To get an access to the abstract creator, the author(s) should first register and choose his/her username and password. Once registered, the access to the abstract creator is available by the login operation. The Conference Scientific Committee will decide on the mode of presentation (oral, poster) but the authors are invited to indicate their preferences. Based on the abstract, papers will be selected for oral or poster presentation. Only one paper per registered participant will be allowed for presentation. All queries about the abstract submission should be sent to the Secretary Office. If, due to technical reasons, you are unable to use the online abstract submission procedure, please contact the Secretary Office.

Call for contributed papers Participants are invited to submit their camera - ready papers during the conference to the Registration Office. Authors should submit two copies (the original plus one) and the electronic version of the paper. Full paper proceedings will be published after the conference in Solid State Phenomena Trans Tech Publications. Only one paper of a given author will be published. The papers will be reviewed. Papers should not be longer than 4 pages (invited speakers – 6 pages).

Instructions for presentation: Papers presented at the plenary sessions should not last longer than 45 minutes including discussion. Papers presented at the oral sessions should last 20 minutes. The computers and overhead projectors will be available. Poster session will group most of the scientific contributions. Posters will be displayed on special boards corresponding to the poster number. Poster boards will be 70 cm wide and 200 cm high. The authors will be notified about acceptance of their paper and form of presentation. Note: For each paper only one author will be notified about acceptance.

Conference and School fees The conference and school fees include conference materials and proceedings (Solids State Phenomena Trans Tech Publication) or school materials, reception, meals, banquet and social programme. Lectures, presentations and meals will be held in the Kasprowy Hotel. The Organisers negotiated special prices of the accommodation for the conference and school participants at the Kasprowy Hotel. The hotel prices information are avaible in the Secretary Office. The fees are as follows: Full delegate:

400 Euro – the conference fee 200 Euro – the school fee

Students:

250 Euro – the conference fee 100 Euro – the school fee PDF 4+ Users Workshop is free of charge 80 Euro

Accompanying person: NOTE:

1. THE REGISTRATION FEE SHOULD BE PAID TO THE ORGANISERS BANK ACCOUNT SPECIFIED BELOW. 2. THE ACCOMMODATION FEE SHOULD BE PAID DIRECTLY TO THE HOTEL KASPROWY JUST AFTER ARRIVING. The organisers have applied to the International Union of Crystallography for a sponsorship to assist young scientists to attend the conference and/or the school. If the sponsorship is granted there will be a possibility to reduce or waive the fees for the conference or school participation. All those wishing to apply for a sponsorship are kindly requested to send their applications to the Organising Committee by March 31, 2009. Young scientists should submit their c.v. and a letter of recommendation from their supervisor.

HOW TO PAY: The fee(s) should be transferred by May 31, 2009 to the bank account given below. The money transfers should specify the name of the participant. The bank account: Uniwersytet Śląski ING Bank Śląski S.A., Oddział Katowice, 40-951 Katowice, Mickiewicza 3, Poland SWIFT:INGBPLPW IBAN: PL74105012141000000700007909 (for foreign participants) NRB: 74 1050 1214 1000 0007 0000 7909 (for Polish participants) (Applied Crystallography)

Conference Preliminary Timetable  Sunday, September 20, 2009 20.0

Well-together-party

 Monday, September 21, 2009 9.00 9.30 11.00 11.30 13.00 15.00 16.30 17.00 19.30

Opening Ceremony Plenary Lectures Coffee Break Oral Sessions Lunch Oral Sessions Coffee Break Poster Session Dinner

 Tuesday, September 22, 2009 9.00 11.00 11.30 13.00 15.00 16.30 17.00 19.30

Plenary Lectures Coffee Break Oral Sessions Lunch Oral Sessions Coffee Break Poster Session Dinner

 Wednesday, September 23, 2009 9.00 Plenary Lectures 11.00 Coffee Break 11.30 Oral Session 13.00 Lunch 15.00 Excursion and Banquet  Thursday, September 24, 2009 9.00 Plenary lectures 11.00 Coffee Break 11.30 Oral Sessions 13.00 Closing ceremony 13.30 Lunch 16.00 Beginning of PDF4+ Users Workshop 17.00 Coffee Break 19.30 Dinner

 Friday, September 25, 2009 9.00 11.00 11.30 13.30

PDF4+ Users Workshop Coffee Break PDF4+ Users Workshop Lunch

Schools Preliminary Timetable Summer School on Polycrystalline Structure Determination The School Director: Prof. C. Giacovazzo, Italy Thursday - September 25 8.25 - 8.30 School presentation; 8.30 - 10.00 Peak search, indexing, space group determination (Carmelo Giacovazzo) 10.00 - 11.30 Using multiple datasets to get a better estimation of structure factor amplitudes: anisotropic thermal expansion and texture effects (Lynne Mc Cusker) 11.30 - 12.00 Coffee break 12.00 - 13.00 Direct Methods (Carmelo Giacovazzo) 13.00 Lunch 15.00 -17.00 Direct space approaches for phasing powder data 15.00-15.30 - Applications of parallel tempering by FOX ( Wieslaw Lasocha) 15.30- 16.00 - Simulated annealing in EXPO2009 ( Carmelo Giacovazzo) 16.30- 17.00 – POLPO in EXPO2009 ( Carmelo Giacovazzo) 17.00-19.00 Computer session ( Indexing and space group determination by EXPO2009 (Corrado Cuocci) 19.30 Dinner

Friday - September 26 9.00 - 10.30 Rietveld Refinement (Wieslaw Lasocha) 10.30 - 11.30 Solving zeolites framework structures from powder diffraction data (Lynne Mc Cusker) 11.30 – 12.00 Coffee break 12.00 - 13.00 Rotation camera and and 3d diffraction tomography . Phasing from powder nanocrystals (Stavros Nicolopoulos) 13.00 Lunch 15.00 - 16.00 Modulated and composite structures from powder diffraction (Vaclav Petricek 16.00 - 18.00 Computer session: solution of modulated structures Superflip / Jana 2006 (Vaclav Petricek) 19.30 Banquet

Saturday - September 27 9.00 - 11.00

Miscellanea a) Free time for student presentations; b) Restrained Rietveld refinement: examples (Wieslaw Lasocha) c) Resolution bias correction and applications to Powders (Carmelo Giacovazzo) 11.00 - 11.30 Coffee break 11.30 -13.00 Computer session: Reciprocal and Direct Space Methods for Crystal structure solution in EXPO2009 (Corrado Cuocci) 14.00 Lunch

Summer School on TEM Methods The School Director: Prof. Janos Labar, Hungary Thursday - 24 September - Introduction to TEM and SAED (Lábár): 2 lectures - Introduction to Crystallography (Stroz, or replacement) 1 lecture - Introduction to CBED and LACBED (Morniroli) 1 lecture

Friday - 25 September - Precession (Morniroli) 1-2 lecture (depends on you) - Computer session 1: ProcessDiffraction (basics + single crystal) (Lábár) 2 lessons - Computer session 2: Electron diffraction (Morniroli) 2 lessons - Computer session 3: ProcessDiffraction (Crystallographic Calculator, transformations) (Lábár) 2 lessons

Saturday - 26 September - Computer session 4: ProcessDiffraction (quantitative phase analysis, incl. texture) (Lábár) 4 lessons - Computer session 5: JEMS (Morniroli) 4 lessons

Including Coffee Breaks (11.30), Lunches (13.00), Dinners (19.30) and Banquet (19.30) at Friday - 25 September.

PDF4+ Users Workshop The Workshop Director: Prof. Mateo Leoni, Italy