Ceramics Subcommittee Agenda and Minutes

Ceramic Subcommittee
Wednesday, 19 March 2002
ICDD Headquarters
Chairman - E. Antipov

1. Call to Order
The Meeting was called to order by E. Antipov with 34 people in attendance.
The attendance sheet is on file at ICDD headquarters.
Attendance (members, editorial staff): E. Antipov, J. Kaduk, J. Faber, T. Blanton, N. Ishizawa, B. O'Connor, T. Kahmer, F. McClune, P. Stutzmann, J. Kimmel, P. Zavalij, D. Louer, J. Visser, S. Misture, W. Wong-Ng, M.S. Whittingham

2. Appointment of Minutes Secretary
P. Zavalij was appointed as the Minutes Secretary

3. Approval of the Last Meeting Minutes
Minutes were approved.

4. Old Business
E. Antipov reviewed activity made by Ceramic Subcommittee members since the last March meeting. These members selected 840 patterns of different ceramic materials from the 53 set with subfile code assignment:
1. Bioceramic (BIO) - 9 new patterns
2. Microwave materials (MIC) - 137 new patterns
3. Ceramic materials (CER) - 557 new patterns
4. Ionic conductors (ION) - 16 new patterns
5. Ferroelectrics (FER) - 10 new patterns
6. Superconducting materials (SCM) - 22 new patterns
7. Semiconductors (SEM) - 89 new patterns

A. Microwave materials.
W. Wong-Ng reviewed activity related to these materials (Attachment 1).
Q: (F. McClune) How do you synthesize microwave materials?
A: Typically using two routes: solid-state or hydrothermal.
Q (G. Kimmel): Did you try sol-gel method?
A: It may improve properties. We will try.

B. Superconductors
W. Wong-Ng described activity on superconducting materials (Attachment 2).
E. Antipov reviewed activity on Bi-based superconducting Cu mixed oxides. The task group reviewed quality of patterns so-called Bi-2201 (49 patterns) and Bi-2212 phases (28 patterns) present in the data base (Attachment 3).
Q: (E. Antipov to T. Blanton) Could specified properties be requested from grantees?
A: If they have data, it should be submitted but it cannot be required.

C. Battery materials.
P. Zavalij: reviewed batteries materials for rechargeable Li batteries, their characteristics, properties, major commercially used cathode materials, and their entries in the database (PDF and ICSD subsets). Future work: mark entries for rechargeable cathode materials in the database, generate list of entries for non-rechargeable battery materials (next year). Hydrogen storage and fuel cells materials could be added as well (Attachment 4).
Proposed definition of battery materials:
- currently used commercially, or
- were used but discontinued due to various reasons,
- can be used potentially and have capacity 150 Ah/kg or more.
Problem to discuss: Which phases should be included for multi-phase charge/discharge process? For example: V6O13 -> LiV6O13 -> Li2V6O13 ->  Li3V6O13 -> Li6V6O13.
(Attachment 4)
Q: (J. Faber) What is the main criteria defining battery material?
A: There are several important characteristics such as voltage, capacity and cycling. The main requirement is capacity that should be 150 mAh/g or more. High voltage is important for some battery materials (cathode) but for others (anode) is not.
Q: (B. O'Connor) Is it possible to make charge/discharge diagrams searchable?
A: Yes, if we have composition of phases on the diagram.
Q: What about alloys? They are not ceramic.
A: They definitely are not ceramic but they can be battery materials.
R: (E. Antipov) Procedure for properties identification in PDF-4 is needed.
R: (J. Faber) Charge/discharge diagrams need links from phases to PDF entries.

E. Bioceramics.
S. Misture: Stated that 9 new patterns of bioceramic materials were identified.

F. Ionic conductors:
Report prepared by Drs. Nalbandyan and Subba Rao was made by E. Antipov.
Drs. Nalbandyan and Subba Rao selected first 17 patterns and added additional information about physical properties, structure type and reference data. (Attachment 5).

G. Engineering ceramic
B. O'Connor reviewed activity made on this type of materials and emphasized the definition problem. This problem should be solved especially for this class of materials otherwise it would be difficult to make this subfile useful for customers. He suggested the following definition for these materials:

Definition of Ceramic Compounds According to Elemental Composition
(Drafted by Brian O'Connor,12 November 2002)

The American Ceramic Society defines ceramic materials as inorganic, non-metallic materials which are typically crystalline in nature, and are compounds formed between metallic and non-metallic elements such as aluminium and oxygen (alumina - Al2O3), calcium and oxygen (calcia - CaO), and silicon and nitrogen (silicon nitride - Si3N4)'.
It is proposed that an additional condition be included in an ICDD definition to confine ceramic materials to 'those classes of inorganic chemical compounds formed between metal and non-metal elements which are relatively resistant to thermal decomposition'. A notional thermal decomposition minimum temperature of 1,000°C is proposed for classification purposes, although it is possible that others may prefer a lower temperature, perhaps 750°C. In effect, setting a relatively high decomposition temperature for definitional purposes confines ceramic compounds to 'refractories'.
On this basis, metal oxides, carbides and nitrides would be classified as ceramic materials, whereas compounds containing the following chemical groups, for example, would be excluded.
Hydrides, Halides and oxyhalides, Sulphides and Sulphates
Carbonates, Nitrates, Nitrites, etc, Hydroxides and Hydrates
Phosphides and Phosphates, Arsenides and Arsenates.
Classification of compound diffraction patterns in this manner will be very useful in fields such as materials technology, mineralogy and minerals processing where information on thermal initiation of compound decomposition is of critical importance.

R: Appeal for help. Volunteers are needed to continue and speed-up work on engineering ceramic materials.

5. S. Whittingham made a technical presentation entitled "Transition metal oxides: Characterization and Energy Storage". He gave an analysis of progress in battery materials, their development, requirements to new materials, main characteristics and properties, structure-properties relationship, the role of particle morphology and perspective use of nano-scaled materials (Attachment 6).

6. New Business:
E. Antipov described the current content of subfiles present in the Data Base:

Release 2002 Release 2003
Inorganic compounds - 114546 133370
Battery materials - 0 6
Cement materials - 404 407
Ceramics - 491 1146
Corrosion products - 60520 64735
Intercalates - 79 130
Superconductors - 2691 2707
Ionic Conductors - 0 47

He pointed out the Bioceramics, Microwave, Ferroelectrics, Semiconductors subfiles are absent in the database while the subfile "Corrosion products" contains enormous amount of patterns making it useless for the users of the database.
He suggested that the definitions should be developed for each subfile (which are present in the database), and the phases assigned to respective subfile should exhibit the properties according to these definitions. These definitions should be developed before the next March meeting, where they will be discussed and approved.

7. Motions:
1. The Ceramic Subcommittee recommends to the Technical Committee that the subfile definitions should be developed and included in the databases.
R: (J. Faber) I agree if these are chemical classes.
For: 15, Against: 0, Abstain: 0. Passed.

2. The Ceramic Subcommittee recommends to the Technical Committee that Bioceramics, Ferroelectrics, Microwave and Semiconductors subfiles should be created in the databases.
For: 15, Against: 0, Abstain: 0. Passed.

3. The Ceramic Subcommittee recommends to the Technical Committee that a sum of up to $3,000 be allocated for task group members to attend the ICDD Annual meeting and Ceramic Subcommittee meeting, to support work on the RDB.
For: 14, Against: 0, Abstain: 1. Passed.

8. Adjournment