Second 2023 FullProf School
The second 2023 ILL Annual School on Neutron Diffraction Data Treatment using the FullProf Suite will be focused on the treatment of diffraction data from energy materials.
The school will take place at the Institute Laue-Langevin, in Grenoble, from 2 October to 6 October 2023.
Overview
Scientific scope:
FPSchool aims to contribute to the training of scientists in treatment of X-ray and neutron diffraction data. The school is based on intensive hands-on sessions using the computer programs of the FullProf Suite.
The lectures and tutorials will provide the essential tools necessary for an efficient use of the FullProf Suite at an intermediate level. In addition to general applications, the new features available for handle data from energy materials, FullProfAPP, will be given a special attention.
Lectures:
The school will be dedicated to the qualitative and quantitative analysis of multiphase samples as well as in situ or in operando data sets using the FullProf Suite, FullProfAPP and external applications as the Bilbao Crystallographic Server.
There will be different theoretical modules plus a large number of hands-on sessions for which each participant is expected to bring his/her own laptop with the FullProf Suite and FullProfAPP already installed.
Participants:
The school is intended for PhD students and experienced scientists with a sound knowledge on powder diffraction techniques and single crystal crystallography.
The maximum number of participants is limited to 30, which ensures the quality of the training provided. The selection of candidates is based on his/her motivation letter and short CV (plus a recommendation letter from the thesis supervisor for PhD students). If necessary, balance between laboratories and nationalities will be taken into account.
Deadlines
Pre-Registration:
From 10 July 2023 to 31 August (Online application)
Decision for accepted participants:
8 September 2023
Deadline for registration and payment:
24 September 2023
Start of school:
2 October 2023
End of school:
6 October 2023
Pre-registration
The pre-registration will be open from 10 July 2023 to 31 August.
Candidates should complete the online form by clicking on the box bellow. During pre-registration process, a pdf file containing a letter of motivation and a short CV (as well as a letter of recommendation from the thesis supervisor for PhD students) will be requested.
Programme
Draft of the Programme for the 2nd 2023 FullProf School dedicated to the analysis of Energy Materials
Monday 2 October, 2023
Morning
General introduction to the programs of the FullProf Suite. Web site: downloading the suite and individual programs. The use of the FPS_Toolbar for accessing the programs. Consulting the manuals and documentation. WinPLOTR program (visualising diffraction patterns, peak detection and peak fit, exporting background, visualisation of 3D plots, 2D detectors, etc.). Indexing powder diffraction patterns (with the indexing programs: DICVOL04, TREOR-90, etc.
The new FullProfAPP. General overview of the application: qualitative and quantitative phase analysis. Automatic and manual Rietveld refinements.
Afternoon (Practical I)
Convert-CIF to PCR, the program CIFs_to_PCR. Instrumental Resolution Function for CW diffractometers. Indexing powder patterns. Use of FullProfAPP for qualitative phase analysis
Tuesday 3 October, 2023
Morning
Introduction to the mathematical description of powder diffraction patterns. Peak shapes. Sample contribution to broadening (microstructure). Brief introduction to the Rietveld method. Structural models: the expressions of structure factors in the case of simple crystal structures.
Afternoon (Practical II)
Strategy for Rietveld refinements. Use of an instrumental resolution function file for assessing the microstructure. Size and strain effects.
FullProfAPP practical: qualitative and quantitative phase analysis of Egyptian makeups. From automatic to manual Rietveld refinement.
Wednesday 4 October, 2023
Morning
Microstructural studies, from mathematical foundations to real examples.
Bond-Valence Energy-landscapes a simple computing tool for assessing ionic conductivity in battery materials. The use of the program Bond_Str
Afternoon (Practical III)
Exercises on microstructure analysis: MgAl2O4 spinel, Nd2NiO4, etc.
FullProfAPP practical: qualitative and quantitative phase analysis of battery materials.
Thursday 5 October, 2023
Morning
Diffraction pattern of materials with periodicity only in two dimensions. Stacking faults, turbostratic structures. Probabilistic description.
Introduction to the FAULTS program.
Practical session
Stacking faults in graphite.
Afternoon (Practical IV)
Stacking faults in LiNiO2
Stacking faults in Li2MnO3. Building a FAULTS structural model for monoclinic (or triclinic) structures.
Friday 6 October, 2023
Morning
The use of simulated annealing for solving and adjusting complex structures. Introduction to the program GLOpSAnn.
Sequential refinements. The setting up of a sequential refinement using FullProfAPP.
Afternoon (Practical V)
Continuation with previous exercises, open questions, and discussion.
Speakers
Speakers / Supervisors:
Nebil Ayape Katcho (IIL)
Oscar Fabelo (ILL)
Thomas Hansen (ILL)
Juan Rodríguez-Carvajal (ILL)
Marine Reynaud (CIC energiGUNE)
J. Alberto Rodríguez-Velamazán (ILL)
Thierry Roisnel (SPM-ISCR, CNRS)
Oier Arcelus (CIC energiGUNE)
Juan Manuel Perez-Mato (UPV)
Laura Cañadillas-Delgado (ILL)
Secretary:
Brigitte Dubouloz (ILL)
Registration fees
Fees
Registration fees include:
Meals at the onsite restaurant (lunch and dinner from Monday to Friday excepted on Monday and Wednesday evening)
Coffee breaks
Wine & Cheese buffet on Monday evening
School dinner on Wednesday
Documentation
Until 24 September 2023
Students: 325 €
Post-docs and Senior Scientists: 550 €
Industrial Researchers: 1500 €
Cancellation policy and refund of registration fees:
- cancellationafter 25 September: no refund
Accommodation
Participants can book a room at the EPN-campus Guest-House, directly in the Registration form after receiving the formal email of acceptance.
The rate for a single room at the EPN-campus Guest-House is 40 EUR per night (breakfast included)
Accommodation
Accommodation on the EPN-campus Guesthouse can be booked directly on the Registration form after receiving the formal acceptance.
EPN-campus Guesthouse cancellation policy:
Accommodation cancellation before September 24th 2023: no charge.
Accommodation cancellation after September 24th 2023 (early departure, late arrival or no-show): no reimbursement.
Please note that for security reasons, the on-site Guesthouse is not available for accompanying persons
The rate for a single room at the EPN-campus Guest-House is 40 EUR per night (breakfast included)
Other hotel suggestions in the town centre are listed below:
Le Hüb by Privilodges**
25 avenue Doyen Louis Weil
38000 Grenoble
grenoble@lehub-privilodges.com
https://www.lehub-privilodges.com/
RESIDHOTEL GRENETTE
12 Rue Palanka
Grenoble
grenette@residhotel.com
https://www.residhotel.com/residence/residhotel-grenoble-grenette/
RESIDHOME MARIE CURIE
58 Rue Félix Esclangon
Grenoble
grenoble.mariecurie@sejours-affaires.com