Program

Nonstoichiometric Ceramics and Intermetallics

September 30 - October 5, 2001
The "Il Ciocco" Hotel and Conference Center
55020 Castelvecchio Pascoli (near Barga, in Tuscany), Italy
Tel: +39-0583-7191 - Fax: +39-0583-723-197

Conference Chairs
Prof. Rüdiger Dieckmann
Cornell University, USA
Dr. C.T. Liu
Oak Ridge National Laboratory, USA

United Engineering Foundation, Inc.
3 Park Avenue, 27th Floor
New York, NY 10016
T: 1-212-591-7836 - Fax: 1-212-591-7441
engfnd@aol.com - www.engfnd.org/1an.html

The conference organizers would like to thank
ARGONNE NATIONAL LABORATORY
OAK RIDGE NATIONAL LABORATORY
for their support of this conference.

IMPORTANT ANNOUNCEMENTS

UEF Conferences are smoke-free. Please do not smoke at any conference function.
Please turn off (or turn to vibrate) your cell phone during technical sessions
A computer projector will be provided, but you must supply your own computer
Tennis courts are about a 45 minute walk

Sunday, September 30, 2001

16:00 Bus pick-up at Pisa Airport

16:15 Bus pick-up at the Pisa Train Station

17:00 - 19:30 Registration

19:30 - 20:00 Welcome Reception

20:00 - 22:00 Opening Dinner

22:00 - 23:00 Reception

Monday, October 1, 2001

07:30 - 08:15 Breakfast Buffet (Dining Room)

08:50 - 09:00 Opening Remarks
Prof. Dieckmann, Conference Chair
Jules Routbort, UEF Liaison

09:00 - 12:00 Session I: Theory
Session Chairs: N.L. Allan, University of Bristol, United Kingdom
K.D. Becker, University of Braunschweig, GERMANY

09:00 - 09:30 KEYNOTE LECTURE 1

AB-INITIO CALCULATIONS OF PHASE DIAGRAMS IN CERAMICS
Neil L. Allan, M. Yu. Lavrentiev, I.T. Todorov and J.A. Purton
School of Chemistry, University of Bristol, UNITED KINGDOM

09:30 - 10:00 KEYNOTE LECTURE 2

SUBSTITUTIONAL SITE PREFERENCE IN NONSTOICHIOMETRIC TITANIUM ALUMINIDES
R. Yang, Y.L. Hao and Y. Song
Institute of Metal Research, Chinese Academy of Sciences, CHINA

10:00 -10:30 Coffee Break

10:30 - 11:00 KEYNOTE LECTURE 3 (Invited)

DEFECT STRUCTURE-PROPERTY MAPS IN PYROCHLORE OXIDES
Robin W. Grimes, Kurt E. Sickafus
Los Alamos National Laboratory, USA
Licia Minervini, Mohsin T. Pirzada and Chris Stanek
Imperial College, United Kingdom

11:00 - 11:20 LECTURE 1

A THEORY OF DIFFUSION IN NONSTOICHIOMETRIC INTERMETALLIC COMPOUNDS
Irina V. Belova and Graeme E. Murch
The University of Newcastle, AUSTRALIA

11:20 - 11:40 LECTURE 2

THE ORIGIN OF THE VACANCY-WIND EFFECT IN INTERMETALLIC COMPOUNDS
Irina V. Belova and Graeme E. Murch
The University of Newcastle, AUSTRALIA

11:40 - 12:00 LECTURE 3

THEORETICAL ANALYSIS OF THE GROWTH OF METAL AT THE INITIAL STAGE OF SILVER DEPOSITION ON MAGNESIUM OXIDE
David Fuks
Department of Materials Engineering, Ben Gurion University of the Negev, ISRAEL
Simon Dorfman
Department of Physics, Technion - Israel Institute of Technology, ISRAEL
Yuri F. Zhukovskii
Institute of Solid State Physics, University of Latvia, LATVIA
Eugene A. Kotomin
Max Planck Institut für Festkoerperforschung, GERMANY
A. Marshall Stoneham
Center for Materials Science, Department of Physics and Astronomy, University College London, UNITED KINGDOM

12:30 - 13:30 Lunch

13:30 - 16:00 Ad hoc sessions and/or free time

16:00 - 16:30 Afternoon coffee

16:30 - 19:20 Session II: Bulk and Bulk Defects
Session Chairs: R.W. Grimes, LANL, USA
J. Janek, University of Giessen, GERMANY

16:30 - 16:50 LECTURE 4

STABILITY AND OXYGEN TRANSPORT OF MIXED-CONDUCTING BILAYER MATERIALS FOR MEMBRANE APPLICATIONS
M. Schroeder
Institute of Physical Chemistry I, RWTH Aachen, GERMANY

16:50 - 17:10 LECTURE 5 (Invited)

MEASURES OF LATTICE VACANCIES
W. Sprengel
Institut für Theoretische und Angewandte Physik, Universität Stuttgart, GERMANY

17:10 - 17:30 LECTURE 6

EXTRINSIC DISORDER IN PYROCHLORE OXIDES
Christopher R. Stanek, and Mohsin T. Pirzada
Imperial College, Department of Materials, United Kingdom
Robin W. Grimes
Los Alamos National Laboratory, USA

17:30 - 18:10 POSTER CONTENT PRESENTATION 1
(3-5 minutes per poster "manned" in the following session)

18:10 - 19:20 POSTER SESSION 1
(first 1/2 of all posters to be "manned")

MAGNETORESISTANCE OF SILVER-RICH AND STOICHIOMETRIC Ag2+xSe
Gesa Beck and Juergen Janek
Department of Physical Chemistry, Justus-Liebig-University Giessen, GERMANY

MECHANOCHEMISTRY OF NANOCRYSTALLINE SPINELS
K.D. Becker and M. Menzel
Technische Universitaet Braunschweig, GERMANY
V. Sepelak, Slowak Academy of Science

THE MODELING OF DEFECT STRUCTURE OF THE OXYGEN DEFICIENT PETROVSKITE-TYPE OXIDES La1-xMxCoO3-Y (M=Ca, Sr, Ba)
A.N. Petrov, V.A. Cherepanov and A.Yu. Zuev
Ural State University, RUSSIA

STABILITY OF Dy2Hf2O7 AND SIMILAR OXIDES
Christopher R. Stanek
Imperial College, Department of Materials, UNITED KINGDOM
Robin W. Grimes
Los Alamos National Laboratory, USA

EFFECT OF OXYGEN NONSTOICHIOMETRY ON MAGNETIZATION AND MAGNETORESISTANCE OF Ca-SUBSTITUTED PEROVSKITE MANGANITES
Sergei V. Trukhanov, I.O. Troyanchuk
Institute of Solids and Semiconductor Physics, BELARUS
H. Szymczak
Institute of Physics, POLAND
K. Barner
IV Physikalisches Institut, GERMANY

AN IN-SITU X-RAY STUDY OF THE TEMPERATURE DEPENDENT CATION DISTRIBUTION IN NICKEL ALUMINTATE SPINEL, NiAl2O4
U.Anselmi-Tamburini, F.Maglia, G.Spinolo
Dipartimento di Chimica Fisica, Università di Pavia, ITALY
M.Dapiaggi
Dipartimento di Scienze della Terra, Università di Milano, ITALY
K.D. Becker, Institut für Physikalische & Theoretische Chemie, TU Braunschweig, GERMANY

CHEMICAL BONDING IN MODULATED PEROVSKITES: HOW CAN WE GET A BETTER INSIGHT FOR UNDERSTANDING FERROELECTRIC RELAXORS?
Jean-Marc Raulot, Gianguido Baldinozzi, Gilbert Calvarin, Michaël Dutheil and Claude Petot, CNRS - Ecole Centrale Paris, Châtenay-Malabry, FRANCE
Ram Seshardi, Indian Institute of Science, Bangalore, INDIA
Vaclav Petricek, Institute of Physics, Academy of Sciences, Praha, CZECH REPUBLIC

DIFFUSION INVESTIGATIONS WITH SYNCHROTRON RADIATION
G. Vogl
Hahn-Meitner Institut Berlin, GERMANY
B. Sepiol, M. Kaisermayr, M. Sladetek, H. Thiess
Institut für Materialphysik Universität Wien, AUSTRIA
R. Rüffer
ESRF, Grenoble, FRANCE

19:30 - 21:00 Dinner

21:00 - 22:00 Social Hour

Tuesday, October 2, 2001

07:30 - 08:15 Breakfast Buffet (Dining Room)

08:40 - 12:00 Session III: Bulk and Interfacial Defects
Session Chair: J. Fleig, MPI Stuttgart, GERMANY
J. Mizusaki, Tohoku University, Japan

08:40 - 09:10 KEYNOTE LECTURE 1 (Invited)

EFFECTS OF NONSTOICHIOMETRY ON ATOMIC DIFFUSION IN ORDERED INTERMETALLICS
H. Numakura and M. Koiwa
Department of Materials Science and Engineering, Kyoto University, JAPAN
T. Ikeda
The Institute of Scientific and Industrial Research, Osaka University, JAPAN

09:10 - 09:40 KEYNOTE LECTURE 2

INVESTIGATION OF THE CATHODIC POLARIZATION MECHANISM IN SOFC BY MEANS OF DOPED LANTHANUM MANGANITE MICROELECTRODES
J. Fleig, V. Brichzin, H.-U. Habermeier and J. Maier
Max-Planck-Institute for Solid State Research, GERMANY

09:40 - 10:00 LECTURE 1

THERMODYNAMICS AND CATION DIFFUSION IN DOPED LANTHANUM GALLATES
Manfred Martin and Olaf Schulz,
Institute of Physical Chemistry, Aachen University of Technology, GERMANY

10:00 - 10:30 Coffee Break

10:30 - 11:00 KEYNOTE LECTURE 3 (Invited)

NONSTOICHIOMETRIC VARIATION OF OXIDE COMPOSITION UNDER THE STEADY-STATE CATALYTIC DECOMPOSITION OF NO2 ON THE SURFACE: A CONCEPT OF CHEMICAL POTENTIAL PUMPING FROM NON-EQUILIBRIUM GAS MIXTURES
Junichiro Mizusaki, Keiji Yashiro, Yutaka Nigara and Tatsuya Kawada
Research Institute for Scientific Measurements, Tohoku University, JAPAN

11:00 - 11:20 LECTURE 2

ABOUT IONIC CONDUCTIVITY / SELF-DIFFUSION RELATIONSHIPS IN YTTRIA-DOPED ZIRCONIA
Claude Monty, CNRS / IMP, Odeillo, FRANCE

11:20 - 11:40 LECTURE 3

RELATIONSHIP BETWEEN CATALYTIC ACTIVITY AND DEFECT STRUCTURE IN TM-DOPED La1-XSrXCoO3 (TM = Ni, Fe)
W.R. Flavell, S.C. Grice and A.G. Thomas
Department of Physics, UMIST, UK
S. Jones
ICI Synetix

11:40 - 12:00 LECTURE 4 (Invited)

EFFECTS OF RARE-EARTH ELEMENTS ON THE POINT DEFECTS IN BARIUM TITANATE PEROVSKITES
Hajime Haneda, Jun-Ichi Itoh, Naoki Ohashi, Isao Sakaguchi and Junzo Tanaka
Advanced Materials Laboratory, National Institute for Materials Sciences, JAPAN

12:30 - 13:30 Lunch

13:30 - 16:00 Ad hoc sessions and/or free time

16:00 - 16:30 Afternoon coffee

17:00 - 19:00 Session IV: Intermetallics - Application and Mechanical
Properties
Session Chairs: C.T. Liu, ORNL, USA
D.P. Pope, University of Pennsylvania

17:00 - 17:30 KEYNOTE LECTURE 4 (Invited)

ROLE OF INTERMETALLIC ALLOYS FOR IMPROVING ENERGY EFFICIENCY OF INDUSTRIAL PROCESSES
Peter Angelini, Vinod K. Sikka, Michael L. Santella
Oak Ridge National Laboratory, U.S.A.
Charles A. Sorrell
U. S. Department of Energy

17:30- 18:00 KEYNOTE LECTURE 5 (Invited)

PLASTIC FLOW INSTABILITY OF L12 ORDERED ALLOYS AT INTERMEDIATE TEMPERATURE
T. Takasugi, T. Honjyou, Y. Kaneno and H. Inoue
Department of Metallurgy and Materials Science, Graduate School of Engineering, Osaka Prefecture University, JAPAN

18:00 - 18:20 LECTURE 5 (Invited)

CREEP DEFORMATION OF LAMELLAR TiAI CONTROLLED BY THE VISCOUS SLIDE OF INTERFACIAL DISLOCATIONS
Luke L. Hsiung
Lawrence Livermore National Laboratory, Livermore, USA

18:20 - 18:40 LECTURE 6 (Invited)

MECHANISTIC UNDERSTANDING OF CREEP IN GAMMA-BASED TITANIUM ALUMINIDE ALLOYS
Fritz Appel
GKSS Research Centre Geesthacht Institute for Materials Research, Geesthacht, GERMANY

18:40 - 19:00 LECTURE 7 (Invited)

EFFECTS OF COMPOSITION OF ENVIRONMENTAL EMBRITTLEMENT OF INTERMETTALICS
N.S. Stoloff
Rensselaer Polytechnic Institute, Materials Science and Engineering Department, USA

19:30 - 21:00 Dinner

21:00 - 22:00 Social Hour

Wednesday, October 3, 2001

07:30 - 08:15 Breakfast Buffet (Dining Room)

08:40 - 11:40 Session V: Intermetallics - Mechanical Properties and
Environmental Effects
Session Chairs: N. S. Stoloff, RPI, USA
F. Appel, GKSS Research Centre Geesthact, GERMANY

08:40 - 09:10 KEYNOTE LECTURE 1 (Invited)

DEFORMATION OF POLY-SYNTHETICALLY TWINNED TiAl SINGLE CRYSTALS
David P. Pope, Yali Chen and Vaclav Vitek
University of Pennsylvania, USA

09:10 - 09:40 KEYNOTE LECTURE 2 (Invited)

MECHANICAL PROPERTIES AND ENVIRONMENTAL SENSITIVITY OF Ni3Al ALLOYS
Ian M. Robertson
University of Illinois, USA

09:40 - 10:00 LECTURE 1

MAGNETISM-INDUCED LATTICE EXPANSION AND SOLID SOLUTION SOFTENING IN NONSTOICHIOMETRIC NiAl ALLOYS
C.T. Liu, C.L Fu and D.S. Easton
Oak Ridge National Laboratory, USA
L.P. Pike
Haynes International

10:00 - 10:30 Coffee Break

10:30 - 11:00 KEYNOTE LECTURE 3 (Invited)
HIGH TEMPERATURE OXIDATION OF THE INTERMETALLIC CoGa
M. Martin and U. Koops
Institute of Physical Chemistry, Aachen University of Technology, GERMANY

11:00 - 11:20 LECTURE 2 (Invited)

THE EFFECT OF STOICHIOMETRY IN THE HfCo2 C15 LAVES PHASE
Dan J. Thoma, Michael I. Baskes and Eric J. Peterson
Los Alamos National Laboratory, USA
Katherine C. Chen
California Polytechnic State University, USA

11:20 - 11:40 LECTURE 3 (Invited)

EFFECTS OF STOICHIOMETRY ON THE FLOW AND FRACTURE OF FeAl
E.P. George
Oak Ridge National Laboratory, Metals and Ceramics Division, USA
I. Baker
Dartmouth College

11:45 - 12:30 Lunch

12:30 Optional Excursion to Lucca

19:00 Return from Lucca

19:30 - 21:00 Dinner

21:00 - 22:00 Social Hour

Thursday, October 4, 2001

07:30 - 08:15 Breakfast Buffet (Dining Room)

08:40 - 12:00 Session VI: Transport I
Session Chair: M. Martin, Aachen University of Technology, GERMANY
J. Routbort, ANL, USA

08:40 - 09:10 KEYNOTE LECTURE 1 (Invited)

THERMODIFFUSION IN BINARY AND TERNARY NONSTOICHIOMETRIC OXIDES
Juergen Janek and Hauke Timm
Justus-Liebig-University Giessen, Department of Physical Chemistry, GERMANY

09:10 - 09:40 KEYNOTE LECTURE 2 (Invited)

SELF DIFFUSION IN NONSTOICHIOMETRIC B2 INTERMETALLICS
G. Vogl
Hahn-Meitner-Institut Berlin, GERMANY
M. Kaisermayr and B. Sepiol
Institut für Materialphysik, Universität Wien, AUSTRIA
J. Combet
Institut Laue-Langevin, FRANCE

09:40 - 10:00 LECTURE 1

THERMOPOWER OF INTERFACIALLY CONTROLLED MATERIALS
Alicia Robledo and Juergen Janek
Department of Physical Chemistry, Justus-Liebig-University Giessen, GERMANY

10:00 - 10:30 Coffee Break

10:30 - 11:00 KEYNOTE LECTURE 3 (Invited)

BaTiO3: NONSTOICHIOMETRY, ELECTRICAL CONDUCTIVITY, THERMOPOWER AND CHEMICAL DIFFUSIVITY
Han-Ill Yoo
Seoul National University, KOREA

11:00 - 11:20 LECTURE 2 (Invited)

OXYGEN NONSTOICHIOMETRY, ELECTRICAL CONDUCTIVITY AND THERMOELECTRIC POWER IN THE MIXED OXIDES La0.7Sr0.3Co1-ZMnZO3-Y (Z=0-0.75)
A.N. Petrov
Ural State University, RUSSIA
V.L. Kozhevnikov, I.A. Leonidov and M.V. Patrakeev
Institute of Solid State Chemistry

11:20 - 11:40 LECTURE 3 (Invited)

IONIC MICRODYNAMICS AND DEFECTS IN FAYALITE, Fe2SiO4
K.D. Becker, K. Ullrich and S. Wissmann
Institute of Physical Chemistry, TU Braunschweig, GERMANY

11:40 - 12:00 LECTURE 4

OXYGEN TRACER DIFFUSION IN SINGLE-AND POLY-CRYSTALLINE BARIUM TITANATE
J.L. Routbort and S. Tsukui
Argonne National Laboratory, USA
M.R. Opitz and C.A. Randall
Pennsylvania State University, USA
J.E. Baker
University of Illinois at Urbana/Champaign, USA

12:30 - 13:30 Lunch

13:30 - 16:30 Ad hoc sessions and/or free time

16:30 - 17:00 Afternoon coffee

16:30 - 19:30 Session VII: Transport II
Session Chair: K.D. Becker, University of Braunschweig, GERMANY
H.-I. Yoo, Seoul National University, KOREA

16:30 - 17:00 KEYNOTE LECTURE 4

ANALYSIS OF OXYGEN ION TRANSPORT IN MIXED CONDUCTING OXIDES WITH THE MICROELECTRODE TECHNIQUE
Hans-Dieter Wiemhoefer, H.G. Bremes, U. Nigge, V. Ruehrup, F. Rocholl and W. Zipprich
Institute of Inorganic Chemistry, University of Muenster, GERMANY

17:00 - 17:20 LECTURE 5

KINETIC DEMIXING IN STABILIZED ZIRCONIA
A. Rizea, C. Petot and G. Petot-Ervas
Laboratoire SPMS, CNRS-UMR, Ecole Centrale de Paris, FRANCE
M. Graham and I. Sproule
Institute for Microstructural Sciences, CANADA

17:20 - 17:40 LECTURE 6

INFLUENCE OF THE CHARGE STATE OF CATIONS ON THEIR DIFFUSIVITY IN CRYSTALLINE OXIDES AND IN SILICA GLASS
Rüdiger Dieckmann, E. Chen, Y.H. Ha, Y.H. Lau, W. Chang, C. Stanek and L. Tian
Department of Materials Science and Engineering, Cornell University, USA

17:40 - 18:20 POSTER CONTENT PRESENTATION 2
(3-5 minutes per poster "manned" in the following session)

18:20 - 19:20 POSTER SESSION 2
(second 1/2 of all posters to be "manned")

DEFECT STRUCTURE AND LINEAR EXPANSION OF SUBSTITUTED LANTHANUM CHROMITE
A. Zuev, L. Singheiser, and K. Hilpert
Research Centre Jülich, Institute for Materials and Processes in Energy Systems (IWV-2)
GERMANY

YTTRIA DOPED ZIRCONIA BASED NANOCERAMICS: PREPARATION, CHARACTERISATION AND OXYGEN TRANSPORT PROPERTIES
Robert Piticescu
Institute for Non-Ferrous and Rare Metals, ROMANIA
Claude Monty and Catalin Georgescu
CNRS/IMP Odeillo-Font Romeu, FRANCE
Barbara Malic and Marija Kosec
Jozerf Stefan Institute, SLOVENIA

TRANSPORT PROPERTIES AND STRUCTURAL CHARACTERIZATION OF URANIUM DIOXIDE
P. Ruello, C. Petot, G. Petot-Ervas and G. Calvarin
Laboratoire SPMS, CNRS-UMR, Ecole Centrale Paris, FRANCE
L. Desgranges
DEC/SECI/LECMI, FRANCE

SEGREGATION OF FISSION PRODUCTS TO SURFACES OF UO2
C.R. Stanek
Imperial College of London, UK
Mark Bradford
British Energy, UK
Robin W. Grimes
Los Alamos National Laboratory, USA

REACTIVE DIFFUSION IN THE SYSTEM VANADIUM-SILICON
U. Anselmi-Tamburini, C. Milanese, F. Maglia
Dipartimento di Chimica Fisica, Università di Pavia, ITALY
V. Buscaglia
Istituto per la Chimica fisica dei materiali, CNR, ITALY

ON THE WIDTH OF THE ELECTROCHEMICALLY ACTIVE REGION IN MIXED CONDUCTING SOLID OXIDE FUEL CELL CATHODES
J. Fleig
Max-Planck-Institute for Solid State Research, GERMANY

QUASIELASTIC NEUTRON SCATTERING FOR STUDYING SELF-DIFFUSION IN INTERMETALLIC ALLOYS
M. Kaisermayr, B. Sepiol
Institut für Materialphysik, Universität Wien, AUSTRIA
J. Combet
Institut Laue-Langevin, FRANCE
G. Vogl
Hahn-Meitner Institut Berlin, GERMANY

20:00 - 22:00 Conference Banquet

Friday, October 5, 2001

07:30 - 08:15 Breakfast Buffet (Dining Room)

09:30 - 12:00 Session VIII: Transport III
Session Chair: G. Murch, University of Newcastly, AUSTRALIA
G. Petot-Ervas, Ecole Centrale de Paris, FRANCE

09:30 - 10:00 KEYNOTE LECTURE 1

CHEMICAL DIFFUSION IN THE PRESENCE OF SURFACE DEFECT REACTIONS
René Meyer and Rainer Waser
Institut für Werkstoffe der Elektrotechnik, GERMANY

10:00 - 10:20 LECTURE 1

THE Eu1+XBa2-XCu30Y SYSTEM: NON-STOICHIOMETRY AND ELECTRICAL CONDUCTIVITY AT HIGH AND LOW TEMPERATURE
Lorenzo Malavasi, Paolo Ghigna, Giorgio Spinolo and Giorgio Flor
Department of Physical Chemistry, University of Pavia, ITALY

10:20 - 10:50 Coffee Break

10:50 - 11:20 KEYNOTE LECTURE 2

UV IRRADIATION EFFECTS ON THE OXYGEN INCORPORATION KINETICS OF Fe-DOPED SrTiO3
R. Merkle, R.A. DeSouza and J. Maier
Max-Planck-Institute for Solid State Research, GERMANY

11:20 - 11:40 LECTURE 2

SIMULATION OF CHARGE TRANSPORT ACROSS GRAIN BOUNDARIES IN P-TYPE SrTiO3 UNDER LARGE-SIGNAL DC BIAS VOLTAGE
Thomas Hölbling, Nazim Söylemezoglu and Rainer Waser
Institut für Werkstoffe der Elektrotechnik II, GERMANY

11:40 - 12:00 Evaluation and Discussion of Future of the Conference

12:30 - 13:30 Lunch and adjournment

13:45 Board bus to Pisa Railway Station and Airport

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