NSC51-2024: Satellite Workshop on Materials

Characterization Using Powder X-Ray

Diffraction (SWMC-PXRD)

Venue: VNIT, Nagpur,MaharashtraNovember 25-26, 2024

Department of Chemistry, Visvesvaraya National Institute of Technology (VNIT), Nagpur

In collaboration with

International Center for Diffraction data (ICDD), Philadelphia, USA and

Vivertana Distributors Pvt. Ltd., Bangalore

The Satellite Workshop on Materials Characterization Using Powder X-ray Diffraction will take place ahead

of the main seminar NSC51 on crystallography. This workshop will focus on the techniques and

applications of powder X-ray diffraction, which is widely used for the structural analysis and

characterization of materials. Participants will learn about the principles of PXRD, data collection, and

interpretation, offering valuable insights for researchers working in material science and crystallography.

The SWMC-PXRD will be highly interactive, combining lectures with hands-on sessions where participants

will solve problems ranging from basic to advanced, reinforcing key concepts. SWMC-PXRD will cover both

data mining using the ICDD PDF-5+

database and methods of analysis embodied in ICDD PDF-5+® Sieve+ and

ICDD MDI JADE

Pro software. Hands on access to PDF 5+ and Jade Pro will be available through remote

desktop server via web access .Attendees should bring their laptop computer with wireless web access

(Edge,Chrome,Firefox).

Note: Mac laptop (macOS) users should have Windows emulator installed.

The first day of the workshop will present the PDF-5+

databases, database overview, features, datamining

capabilities and Sieve+ for phase identification and quantification (RIR method).The second day will be qualitative

and quantitative XRD analyses (Rietveld)using MDI JADE

Pro software. In addition, materials characterization using the

JADEPro Toolkit features will be demonstrated.The PDF-5+ database and JADE Pro software will be accessible

through a remote desktop server for a period of 3 weeks after the workshop.

Speakers:

Dr. Soorya N. Kabekkodu, Editor-in-Chief, International Centre for Diffraction Data (ICDD),USA

Professor Tayur N. Guru Row, Emeritus Professor, SSCU, Indian Institute of Science, Bangalore

Professor Arun M. Umarji, Emeritus Professor, MRC, Indian Institute of Science, Bangalore

Patron: Co-Patron:

Prof. PremLal Patel Prof. YashwantB.Katpatal

(Director,VNIT) (Dean R&C,VNIT)

Chairman: Convener: Co-convener:

Prof. SujitKumarGhosh Dr. SusantaK.Nayak Dr. AbhishekBanerjee

(Head, Department of Chemistry)

Registration Link:

Email: nsc51@vnit.ac.in/ sknayak@chm.vnit.ac.in

SWMC-PXRD Information:

Online application to Register for the workshop will be available from 30th September till 30th October 2024.

After the application is submitted, 50 applicants will be shortlisted for registration and details for the payment of

fees and travel support will be communicated seperately. Selection will be based on first come first basis.

Maximum number of participants (with access to software) is 50. Participants must carry their own laptops

which will be required for hands on training on Crystallography softwares. Mac laptop (macOS) users should

have Windows emulator installed.

NOTE: Other interested participant over and above 50 are allowed, but they will not have access to the

download.

Important Dates:

September 2024 - Online application to Register for the workshop will be available

October 2024 – Last day to submit the application

November 2024 – Selected participant will be informed to pay the fees

November 2024 – Last day to make payment.

November 2024 – Confirmation Registration:

and 26

November 2024 Workshop

Registration fees:

(i)

Rs.1000/- for the Master students of VNIT (Rs. 750 if registered for NSC 51)

(ii)

Rs.1500/-for the research students of other Departments ofVNIT.(Rs.1200 if registered for NSC51)

(iii)

Rs.2500/ -for the Faculty members (Rs.2000 if registered for NSC51)

(iv)

Rs. 5000/- for participants from Industry (Rs.4000 if registered for NSC51)

Email id :nsc51@vnit.ac.in/sknayak@chm.vnit.ac.in(8806021888/0712-2801610)

Registration link:

Note:

• Refreshments and Food [Lunch(2) and Dinner(1)] will be provided for 25

-26

November 2024.

• Outstation participanting students /researchers (limited number) will be provided travel

support as per rules but will have to make their own arrangement for accommodation. Student

accommodation will be provided on payment basis and availability. Please contact in advance.

• Participants must strictly adhere to the workshop timings.

• Attendance for all sessions is mandatory to receive the certificate of participation.

PROGRAMME SCHEDULE

Day 1:

November, 2024 (Monday)

09:30 - 10:00 AM

Inaugural Function

10:00 - 10:30 AM

High Tea

10:30 - 11:00 AM

Powder Xray Diffraction Method and Application

11:00 - 12:30 PM

Diffraction Geometry, Systematic Angular Errors and Calibration Procedures, Sample Preparation

12:30 - 01:00 PM

Setting up PDF-5 + and JADEPro access

01:00 - 02:00 PM

Lunch Break

02:00 - 03:30 PM

Hands- on Session: Introduction to Search/ Match Procedures with PDF-5/ Sieve+, PDF-5+ Database and

Features Overview, Data mining

03:30 - 04:00 PM

Tea Break

04:00 - 05:30 PM

Phase Identification Method

Qualitative and Semi-quantitative Phase Analysis, Advanced Phase Identification ( With Amorphous

Component, Trace Phases), Additional Problem Solving, Q&A

Day 2 :

November, 2024 (Tuesday)

09:30 - 10:00 AM

Data collection strategies for materials characterization

10:00 - 11:00 AM

Introduction to PXRD indexing

11:00 - 11:30 AM

Tea break

11:30 - 01:00 PM

Introduction to profile functions, Fitting And quantity phase analysis using Rietveld method

01:00 - 02:00 PM

Lunch break

02:00 - 03:30 PM

JADEpro hands-on sessions

JADEpro features overview, Angular Calibration ( Instrument Profile Curve, IPC), Pattern indexing Using

JADE

03:30 - 04:00 PM

Tea Break

04:00 - 05:00 PM

JADEpro hands-on sessions

Whole Pattern Fitting (WPF) and Rietveld Refinement, Phase Identification and Quantitative Phase

Analysis (Rietveld), Crystallinity Measurement, Crystallite size and Micro-strain Analysis

05:00 - 05:30 PM

Q&A, Concluding Remarks and Feedback From Participants

Speakers:

Dr.SooryaN.Kabekkodu,Editor-in-Chief,InternationalCentreforDiffractionData(ICDD),USA

ProfessorTayurN.GuruRow,EmeritusProfessor,SSCU,IndianInstituteofScience,Bangalore

ProfessorArunM.Umarji,EmeritusProfessor,MRC,IndianInstituteofScience,Bangalore