TC03: Structure and Properties

The activity of the TC03 committee is focused on the discussion of the basics aspects of glass structure as well as on the experimental collaboration throughout Round Robin tests of model glasses, for which atomistic simulation and thermodynamic modelling techniques are also used. The subject under study of TC03 is also extended to glass microstructure and the relationship between atomic structure and phase separation behaviour. Data on the structure of the Na2O-B2O3-SiO2 glasses under study have already been shared by four different laboratories. In order to investigate the mixing between the silicate and the borate species, advanced techniques such as the through space correlation scheme has been successfully applied. Furthermore, the results of thermodynamic calculations by using the model by N. Vedishcheva and coworkers agree quite well with the experimental data obtained by NMR characterisation. Structural characterisation of the four sodium borosilicate glasses will be completed not only through more advanced NMR methodologies but also with complementary techniques such as FTIR, Raman or XAFS spectroscopy. It has also been thought that Round Robin tests will be extended in a near future to other glass systems of common interest for the members of the committee.

Planned Activities for 2024

1) Zoom meeting in March 14th.
2) School in Lloret del Maar, April 29-May 4.
3) Meeting during GOMD in Las Vegas
4) June 19: Zoom meeting at 2pm Paris Time : Jamis Christie and Akira Takada, we’ll be talking about developments in calculation methods.
5) September 19: Zoom meeting at 2pm Paris Time : Schott Kroeker will talk about NMR on glass. This will be recorded and put on the TC3 website for TC3 members, login question?
6) November 7: Zoom meeting at 2pm Paris Time : Pierre Florian NMR calculation.
7) December 5: Zoom meeting at 2pm Paris Time : Natalia Vedishcheva want discuss about the glass definition from thermodynamic point of view.

Planned activities for 2024
1) Zoom meeting in March 14th.
2) School in Lloret del Maar, April 29-May 4.
3) Meeting during GOMD in Las Vegas
4) June 19: Zoom meeting at 2pm Paris Time : Jamis Christie and Akira Takada, we’ll be talking about developments in calculation methods.
5) September 19: Zoom meeting at 2pm Paris Time : Schott Kroeker will talk about NMR on glass. This will be recorded and put on the TC3 website for TC3 members, login question?
6) November 7: Zoom meeting at 2pm Paris Time : Pierre Florian NMR calculation.
7) December 5: Zoom meeting at 2pm Paris Time : Natalia Vedishcheva want discuss about the glass definition from thermodynamic point of view.

1) TC3 workshop February 2-4, Prague University.
The aim of the workshop was to have long discussions on a limited range of topics. Each speaker had 45 minutes to present each topic, followed by over two hours of discussion on the subject.
Selected topics
• Definition of glass, short- and medium range order, geometrical and topological description of glass structure (Ondrej Gedeon)
• Glass structure and ion dynamics (Stratos Kamitsos)
• From the structure of the glass-forming liquid to the structure of the glass (Francisco Munoz)
• Mixing components from thermodynamic point of view (Marek Liska)
• Relaxation and polyamorphism, is glass continuous? (Dominique de Ligny)
• What is the role of oxygen in glass (Grant Henderson)
• Mixing elements? link between structure and properties (Daniel R. Neuville)

2) March 20, 2023, 1pm Paris Time ZOOM meeting
A) We welcomed Professor Takahiro Ohkubo from Chiba University who is replacing Professor Takebe, who has decided not to take part in TC3 as he is research topics shift from glass science to other fields…

B) We took stock of the workshop organized in Prague in 2022 by Ondrej Gedeon and Dominique de Ligny. Many thanks to Ondrej for the organization. During the workshop, we had a lot of discussions, which are summarized in Schott Kroeker’s great work (thanks a lot), which I’m attaching to this e-mail. In particular, we spent some time discussing glass definition. Stratos Kamitsos proposes “”Glass is a non-crystalline solids which exhibits a continuous change of properties like volume from the solid to its melt state”.
Dominique de Ligny, Ondrej Gedeon, Pierre Benigni and I are going to rework the whole document and try to propose an evolution of glass definitions. This document could later be published as an article signed by TC3 member and submitted to a journal.

C) We began discussing future activities for the fall and for 2024.

3) November 22, 1pm Paris Time, zoom meeting
A) We are continuing to discuss the definition of glass and hope to be able to propose a definition during 2025. We’re planning our activities for 2024.

Following the Prague workshop, Fran Munoz proposes to host a new workshop in Madrid in 2025. He will try to propose a doodle to fix a date.

B) We’re going to try again to organize themed scientific discussion webinars in 2024. We’ll be holding 1-hour meetings in the 1 p.m. time slot, (Europe time) and have selected 2 dates for now:
– June 19: Jamis Christie and Akira Takada, we’ll be talking about developments in calculation methods.
– September 19: Schott Kroeker will talk about NMR on glass.
– November 7: Pierre Florian NMR calculation.

In addition to these two meetings, we will be organizing two TC3 lunches at GOMD in Las Vegas and ESTG in Cambridge. If you plan to attend either of these events, please let me know, and I will try to find a suitable date for a diner.

C) an update on the school organized by TC3, TC5, TC7 and TC18: Glass for a sustainable future https://icg-school2024.sciencesconf.org next April in Spain.On March 20, 2023, we had a short zoom meeting to discuss TC3’s future activities.
We discussed the school that TC3 will be organizing with three other TCs in April 2024 at Lloret del Mar. This school will focus on the sustainability of glass for the future.
We have planned several meetings for the end of 2023 and others for 2024.

CT03 met twice at the ICG-GOMD in Boston on June 9 and 10, 2019. At both of these two meetings Grant Henderson, Doris Moncke, Jinjun Ren, Dominique de Ligny, Stratos Katmisos, Alex Hannon, Lionel Montagne, Fran Munoz, Steve Martin, Akira Saito, Hiromichi Takebe and Daniel Neuville were present.

We discussed TC03’s activities. The results of the school of thermodynamics that took place in Erlangen are very satisfactory. We had more than 40 participants and very pedagogical presentations that covered all the different aspects of the thermodynamics of glasses. The presentations will be available on the ICG TC03 page shortly and should also be available on the USTV website that co-hosted the school. We considered organizing a one-day school in July 2020, focusing on NMR and glasses. This day was to take place just before the Borophosphate conference in Corning and it would have been organized at the Alfred UNiversity by Doris Moncke. The program had been built and validated by TC03, but because of the COVID pandemic, the conference and conference day were cancelled.

TC03 members reviewed the documents sent by the CTC regarding the ICG2030 project, and all TC03 members strongly disagreed with this project.

Among TC03’s future activities, we want to continue to organize roundtables, schools and propose specific actions at conferences. The COVID pandemic severely disrupted our business, but we decided to create a series of web-meetings to discuss the structure and properties of Glasses.

Activities 2018

1st Meeting in Yokohama during ICG:

Present: Akira Takada, Doris Moncke, Alex Hannon, Fran Munoz, D. de Ligny, Daniel R Neuville (Chair).

DRN presented a new version of the Thermodynamic School that will be organized in May 2019 just before the DGG-USTV meeting in Erlangen. (see below).

School on the Thermodynamics of Glass

(Organised by: TC03 ICG, DR Thermo-HT, USTV, DGG)

Sunday 12^th of May in Erlangen at  the Universität Erlangen-Nürnberg, Department of Material Sciences and Engineering, Martensstr. 5 room 0.15

Organizing Comittee: Reinhard Conradt, Natalia Vedishscheva, Daniel R. Neuville, Dominique de Ligny

Registration is free of charge and can be made directly by sending an email to dominique.de.ligny@fau.de

Budget of the school: 3000 euros bring by ICG and 1000 euro by USTV. 34 peoples are enrolled in the school coming mainly from Europe.

TC03 – Round Robin

A few years ago, the TC3 organized a ROUND ROBIN focused on the structure of borosilicate glasses. This round robin worked well and allowed the publication of several papers in the glass literature. After several discussions, we decided to start a new round robin, focused on phosphate glasses: Structure of Phosphate Glasses by NMR, Raman, XANES…

1. Studied glasses – binary and ternary phosphate glasses.

a) Binary synthesized in Trenčín and Madrid:

Li₂O-P₂O₅, Na₂O-P₂O₅, MgO-P₂O₅, BaO-P₂O₅ …

b) Ternary synthesized in Pardubice:

ZnO-Ga₂O₃-P₂O₅, CaO-Ga₂O₃-P₂O₅ …

c) …

2. Solid state NMR study of structure.

a) Gregory Tricot (Lille)

b) Francisco Munoz (Madrid)

c) Zdeněk Černošek & Jana Holubová (Pardubice)

…

3. Raman (and IR?) Study.

a) Mária Chromčíková & Marek Liška, Trenčín

b) Francisco Munoz (Madrid)

c) Daniel Neuville (IPGP-Paris)

d) …

4. Thermodynamic modeling based on results obtained by above methods.

a) Mária Chromčíková & Marek Liška (Trenčín)

b) Jan Macháček (Prague)

c) …

5. Viscosity

a) Daniel Neuville (IPGP-Paris)

b) Francisco Munoz (Madrid)

6. XANES

Next Meeting

The next TC03 meeting will be on June 9 in Boston.

Activities 2017

TC Activity 2017
School/workshop: structural role of elements in glasses, from classical concepts to a reflexion over broad composition range Cargese, March 27-31, 2017.
Present: Doris Moncke, Dominique de Ligny, Alex Hannon, Fran Munoz, Lionel Montagne, Neville Greaves (skype), Grant Henderson, DRNeuville. 
This school/workshop welcomed more than 70 people from Spain, England, Germany, Canada, Denmark, Italy, and France for a week. This week was shared in theoretical presentations that had been chosen by TC03-GDR-USTV and a round table discussion on the concept of network former for all glass families: oxides, chalcogenides, metals. A picture of the people present is above and the program is below.

TC03 members has meet in Oxford, UK July 26, 2017 during the borophosphate conference.

Plan for 2018

TC03 Meeting at the ICG Annual Meeting in Yokohama-Japan 23-26 september 2018.

Joined TC03 and TC26 Meeting during PNCS2018 at St Malo, France 9-13, July 2018.

1st Meeting in 2016 in Shanghai during ICG: 
Present : Doris Moncke, Fran Munoz, Akira Takeda, Akira Saito, DRNeuville.
Discussion about future activities of the TC03: DRN showed a program of a possible school/workshop on the nature of the network former. A long discussion followed this presentation, and the program of the school workshop needed to be modified.

2st Meeting in Sheffield 2016 during ESG: 
Present: Efstratios Kamitsos, Akira Takada, Natalia Vedishcheva, Ondrej Gedeon, Marek Liska, Doris Moncke, Alex Hannon, Jana Holubova, DRNeuville.
DRN presented a new version of the school/workshop program (see below). We discussed the possibility of organizing a school on the thermodynamics of glass and melts. After discussion, we decided to organize such a school before or after the DGG-USTV 2019 annual meeting in Erlangen. This school will be organized by Prof  D. de Ligny and Dr Natalia Vedishcheva.

The ICG TC03 Technical Committee on “Glass Structure”
the “CNRS Glass-network on Glass (GDR-Verres)”,
the “Union for Science and Glass Technology (USTV)”

March 27^th-31^st, 2017, Cargese, France

“STRUCTURAL ROLE OF ELEMENTS IN GLASSES, FROM CLASSICAL CONCEPTS TO A REFLEXION
OVER A BROAD COMPOSITION RANGE”

1. Presentation of the TC03 Technical Committee on “Glass Structure”

The ICG Technical Committees (http://www.icglass.org/technical_committees/) cover vital topics in glass science and technology. Meetings of the TCs are held regularly to discuss the results of inter-laboratory experiments and surveys.

The activity of TC03 is focused on a discussion of the basics aspects of glass structure as well as on the experimental collaboration throughout Round Robin tests of model glasses, for which atomistic simulation and thermodynamic modelling techniques are also used.

2. Presentation of the workshop

The definition of glass forming ability is one of the first concept for which glass scientists tried to propose rules, based on both thermodynamic and structural arguments. On the other hand, today’s glass technologists and scientists explore more and more unconventional compositions, and alternative elaboration methods enable glass preparation under ultra-soft (sol-gel) or extreme (sputtering, pressure) conditions. Today’s glass science also benefit from outstanding developments in analytical,  computational  and  structural  methods,  and  hence  they  either  confirmed  or  denied  the  classical  models  of network forming. All these elements indicate that there is room for a place to share and discuss the old and new concepts of glass formers and of course of their complementary modifiers.

This scientific subject is at the heart of the TC03 “Glass Structure” technical committee of the ICG, and it has been much discussed among its members. Nevertheless, an opportunity is now open to extend the discussion over a much broader audience. Indeed, 3 glass organizations decided to propose a workshop on the subject “structural role of elements in glasses, from classical concepts to a reflexion over broad composition range”. It will cover the general rules, some non-classical situations, a wide range of glass systems, and also the arguments brought by the most recent analytical and modelisation methods.

The workshop will be organized with general lectures presented by international experts, research presentations, and large time-space will be devoted to discussions and round-tables.

The public will be of course constituted by the TC03 members, and extended to all persons who would like to share their experience in the domain of the workshop. They will include glass technologists and industrials, who are already involved in the GDR-verres and USTV. In addition, the workshop will offer an unique experience for PhD students who want to get an advanced knowledge on non-conventional glass systems and their applications.

The GDR-Verres is a network held by the CNRS, which gathers all the French academic research groups (http://gdrverres.univ-lille1.fr). It is constituted of over 300 members and 60 research groups. Its aim is to organize scientific discussions on glass  science.  The  USTV  is  a  non-profit  association  (http://www.ustverre.fr).  It  aims  at  developing  and  disseminating knowledge  in  the  fields  of  glass  science,  glass  technology  and  glass  products.  The members  are  glass  manufacturers, industrials as well as academics.

3. Scientific and organizing committees

The scientific committee is constituted by the members of the TC3.  The organization committee is constituted by D. Neuville (Chair of TC03, President of USTV,), L. Montagne (vice-chair of TC03, Head of GDR-Verres, vice-president of USTV) L. Cormier (treasure of USTV, member of TC07), Alicia Duran (Vice-President of ICG), Annie Pradel (CNRS-Montpellier). Organizing secretary: F. Méar

4. Workshop Program:

The timetable with all the scheduled lectures is presented in the annex.

The main points that will be presented and the subjects of discussions are listed hereafter:

A: General rules

• Classical rules on glass forming oxides (Zacchariasen, Dietzel, …)
• Structural aspects (Bridging vs Non-Bridging oxygens, coordination, …)
• Thermodynamic aspects (heat capacity, entropy, …)

B : Non-classical situations

• How does glass forming depend on the glass composition? For instance, the role of lead or zinc may change according to their content in the glass
• What about mixed-network formers? Do we have structural evidence, or is it observed only on electrical conductivity? Is there any competition for glass forming if several networks are mixed (aluminoborosilicates, phosphosilicates, glasses with only forming oxides, …) ?
• Relations between forming effect and glass properties properties (Tg, DCp, viscosity…)
• Vanadates, iron: what about the redox state and its effect on glass forming?
• Invert glasses with a (very) low content of forming oxide (silicates, aluminates): is it a reality or a nonsense?
• Amorphous compounds vs glass, is it related to glass forming ability? Non-conventional elaboration: can we induce a glass-forming character ? (e.g.: Al₂O₃ can be obtained as amorphous by sputtering)

C: Transposition in other glass-forming systems

• Chalcogenides glasses
• Metallic glasses
• Organic glasses
• Chloride, fluoride glasses
• Nitride glasses
• Hybrides glasses

D : Analytical and modeling aspects

• Recent analytical developments that enable a better investigation of the glass forming effect : XR-abs/neutrons, NMR, Raman
• Insights in glass forming effects from molecular dynamics and ab initio methods.

E : Round-tables

• Is there an universal definition of glass formers?
• Does the definition of glass formers depends on the type of glass-forming system?
• Does the definition of glass formers evaluate with the development of better analytical tools?
• Does modeling allow a different view of glass forming effect?

5. Practical Issues

• Date : March 27-31^st, 2017
• Place : Cargese, France (Corsica)
• The place is not fixed, we applied to the CNRS site in Cargèse, Corsica.
• Number of participants : 80 (10 from TC3, 45 from GDR-Verres, 45 from USTV, among them about 15 PhD students).
• The languages of the lectures will be English.
• Registration will be free for academic participants and for students. Industrial participants will pay full registration fees.
• Registration will be managed through the GDR-Verres website or through the CNRS Web application (web conference).

6. Summary

• TC name and number and responsible TC chair

TC03 “Glass Structure and properties”, responsible Daniel NEUVILLE

• The amount requested and a description of the activities proposed,

5 k€, for the organization of a 5 days workshop on “structural role of elements in glasses, from classical concepts to a reflexion over broad composition range”.

•  breakdown of how the grant will be spent and an indication of the timeline for spending,

• How the results of the activity will be disseminated, including deliverables to be reached
  • Information on the workshop granted by ICG within the international glass community (mailing lists, websites)
  • Workshop presentations will be available for participants through a website (downloading).
  • A summary paper with the main conclusions of the workshop will be submitted to an international Journal (JNCS or IJAGS).

Committee Members

Ates Gösterisli, Sissecam
Oliver Alderman,  ISIS Neutron and Muon Source, Rutherford Appleton Laboratory.
Pierre Benigni, CNRS, Marseille
Delia Brauer, Iena University
Mária Chromčíková, FUNGLASS, Trencin,
Laurent Cormier, CNRS, Paris
Jamieson Christie, Loughborough University
Dominique De Ligny, Erlangen University
Pierre Florian, CNRS, Orléans
Rocca Francesco, CNR, Italy
Ondrej Gedeon, Prague University
Alex Hannon, ISIS Facility,
Grant Henderson, Toronto University
Jana Holubova, University of Pardubice
Stratos Kamitsos, Athen University
Natalia Karpukhina, Queen Mary University
Scott Kroeker, Minatoba Univeristy
Marek Liska, Trenčianska Univerzita Alexandra Dubčeka v Trenčíne
Steve W Martin, Iowa State University
Doris Möncke, Alfred University
Lionel Montagne, Lille University
Francisco Munoz, CSIC Madrid
Neuville Daniel (chair), IPG Paris
Takahiro OHKUBO, Okayama University
Armenak Osipov, Russian Academy of Science,
Luka Pavić, Ruđer Bošković Institute
Luiz Pereira, LMU, Munich
Akira Saito, Ehime University
Sohei Sukenaga, Sendai University
Akira Takada, AGC, Tokyo
Grégory Tricot, Lille University
Natalia Vedishcheva, Institute of Silicate Chemistry, Russian Academy of Sciences, St. Petersburg
Joe Zwanziger, Dalhousie University
Huidan Zeng, East China University of Science and Technology

Committee Contact Details

TC03: Glass Structure
Paris, France
Daniel Neuville