TOFA 2004 - Discussion Meeting on Thermodynamics of Alloys
September 12 - 17, 2004
Vienna, Austria

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Prof. A. MIKULA

Department of
Inorganic Chemistry

University of Vienna
Waehringerstr. 42
A-1090 Vienna
AUSTRIA

FAX:+43 1 4277 9526
adolf.mikula@univie.ac.at

see also the list of Poster
Sunday, September 12th
18.00   get together Party
Monday, September 13th
Morning Session
Chair: G. Borzone / J.-C. Gachon
09.00-09.30
Opening
Plenary Lecture
09.30-10.10
P1
Y. Austin Chang
THERMALLY ACTIVATED PROCESSES IN THIN-FILM MAGNETO¬RESISTIVE SENSORS
Communications
10.10-10.30
O1
Hongxiao Li , Jean Claude Tedenac, Julien Haines, Suzana G. Fries and Didier Ravot
EXPERIMENTAL STUDY AND THERMODYNAMIC MODELLING OF THE THE Fe-Co-Sb TERNARY SYSTEM
10.30-10.50
O2
Alexander Pisch
ENTHALPIES OF FORMATION OF SELECTED TRANSITION METAL LAVES-PHASES BY AL-SOLUTION CALORIMETRY
10.50-11.20
Coffee Break
11.20-11.40
O3
S. Peteline, Y.A. Chang and H. Mehrer
SELF-DIFFUSION IN NICKEL-MANGANESE ALLOYS
11.40-12.00
O4
Christian Herzig, Maik Lohmann, Brigitte Baretzky and Sergiy Divinski
THE GRAIN BOUNDARY PRE-WETTING PHASE TRANSITION IN THE Cu– Bi SYSTEM STUDIED BY RADIOTRACER DIFFUSION MEASUREMENTS
12.00-12.20
O5
L. Eleno, J. Balun, G. Inden, J. Houserová, and A. Schneider
EXPERIMENTAL STUDY AND THERMODYNAMIC MODELLING OF THE Fe-Ta EQUILIBRIUM PHASE DIAGRAM
12.20-14.00
Lunch
Afternoon Session
Chair: M.-T. Clavaguera-Mora / A. Watson
Plenary Lecture
14.00-14.40
P2
Klaus W. Richter
FRACTIONAL SITE OCCUPATION IN TERNARY METAL COMPOUNDS: STRUCTURE, BONDING AND THERMODYNAMICS
Communications
14.40-15.00
O6
Frank Stein, Dongtao Jiang, Gerhard Sauthoff, and Martin Palm
LAVES PHASE POLYTYPISM IN THE Co-Nb SYSTEM
15.00-15.20
O7
Fabrice Nemouchi, Dominique Mangelinck, Magali Putero-Vuaroqueaux, Patrick Gas and Claire Bergman
THERMODYNAMIC AND KINETIC ANALYSIS OF THE FORMATION OF NANOMETRIC Ni SILICIDE THIN FILMS ON Si SUBSTRATE
15.20-15.40
O8
J. Bratberg and K. Frisk
AN EXPERIMENTAL AND THEORETICAL ANALYSIS OF THE PHASE EQUILIBRIA IN THE FE-CR-V-C SYSTEM
15.40-16.40
Coffee Break and Poster Session
16.40-17.00
O9
Hiroshi Numakura and Takumi Yamashita
BRIDGING BETWEEN THERMOCHEMICAL PROPERTIES AND STATISTICAL MECHANICS OF ATOMIC DEFECTS IN INTERMETALLIC COMPOUNDS
17.00-17.20
O10
Rafał Kozubski, Veronique Pierron-Bohnes, Wolfgang Pfeiler
DYNAMICS OF SUPERSTRUCTURE FORMATION IN INTERMETALLIC COMPOUNDS
17.20-17.40
O11
Simona Delsante, Riccardo Raggio, Nadia Parodi, Francesco Rosalbino and Gabriella Borzone
NICKEL-ALUMINIUM ALLOYS OF RARE EARTHS: PHASE STABILITY AND ELECTROCHEMICAL BEHAVIOUR
17.40-18.00
O12
P. Rogl and A. Grytsiv
CRYSTAL CHEMISTRY OF PHASES IN THE SYTEMS Ti – GROUP 8 METAL - Al
Tuesday, September 14th
Morning Session
Chair: D. Zivkovic / H. Mehrer
Plenary Lecture
09.00-09.40
P3
Kimio Itagaki
THERMODYNAMICS OF ARSENIC AND ANTIMONY IN EXTRACTION AND RECYCLING OF COPPER
Comminucations
09.40-10.00
O13
Pavel Brož, Jirí Buršík and Jirí Sopoušek
ALLOYING ELEMENTS REDISTRIBUTION IN Ni-BASED WELDMENTS AT 1000 ºC
10.00-10.20
O14
Julius C. Schuster, Yong Du, and Franz Weitzer
MELTING OF ALLOYS ABOVE THE EQUILIBRIUM MELTING TEMPERATURE. IS IT POSSIBLE?
10.20-10.40
O15
Taras Radchenko, Helena Zapolsky, Didier Blavette and Valentin Tatarenko
NUMERICAL SIMULATION OF PHASE DIAGRAM FOR H.C.P. ALLOY
10.40-11.10
Coffee Break
11.10-11.30
O16
R. N. Singh and F. Sommer
THE VISCOSITY OF LIQUID BINARY ALLOYS
11.30-11.50
O17
Yoshimi Tsuchiya, Kouichi Saitoh, and Fujio Kakinuma
THERMODYNAMICS OF STRUCTURAL CHANGES IN LIQUID TE-GE ALLOYS AROUND THE EUTECTIC COMPOSITION: SPECIFIC HEAT MEASUREMENTS AND THERMODYNAMIC STABILITY
11.50-12.10
O18
Vladimir V. Filippov, Pjotr S. Popel
ACOUSTIC METHOD OF METALLIC MELTS MICROHETEROGENEITY INVESTIGATION
12.10-12.30
O19
Z.Y.Qiao, J.Xu, X.J.Han, B.B.Wei, J.Lee, T.Tanaka
EXPERIMENTAL AND THEORETICAL INVESTIGATIONS OF SURFACE TENSION OF THE IRON-COPPER ALLOYS
12.30-14.00
Lunch
Afternoon Session
Chair: N. Smirnova / A. Kodentsov
Plenary Lecture
14.00-14.40
P4
Daniele Gozzi
NICKEL/RARE-EARTH BINARY INTERMETALLICS: EXPERIMENTAL THERMODYNAMICS AND SOME GAS-SOLID APPLICATIONS
Communications
14.40-15.00
O20
Iwao Katayama, Keiko Shimazawa, Dragana Zivkovic, Dragan Manasijevic , Zivan Zivkovic, and Takamichi Iida
ACTIVITY MEASUREMENTS OF Ga IN THE LIQUID Ga - In - Tl ALLOYS BY EMF METHOD WITH ZIRCONIA SOLID ELECTROLYTE
15.00-15.20
O21
Alexander Kodentsov, Jorma Kivilahti, and Frans van Loo
THERMODYNAMIC POTENTIAL DIAGRAMS FOR ANALYSIS OF METAL/CERAMIC REACTIONS:A REAPPRAISAL OF THE EFFECT OF VOLATILE PREODUCTS
15.20-15.40
O22
Maria-Teresa Clavaguera-Mora, Narcís Clavaguera, and Javier Rodríguez-Viejo
PRIMARY TRANSFORMATION KINETICS MEASUREMENTS THROUGH DIFFERENTIAL SCANNING CALORIMETRY
15.40-16.40
Coffee Break and Poster Session
16.40-17.00
O23
Karen Krushwitz and Leo Brewer
PREDICTION OF ACTINIDE PHASE DIAGRAMS
17.00-17.20
O24
Chunlei Liu, Ulrich E. Klotz, Peter J. Uggowitzer and Jörg Löffler
THERMODYNAMIC ASSESSMENT OF THE Sn-Ti SYSTEM
17.20-17.40
O25
Matvei Zinkevich, Maria Cancarevic, and Fritz Aldinger
THERMODYNAMIC ASSESSMENT OF THE Cu-Pb-O SYSTEM
17.40-18.00
O26
K.S. Gavrichev, A.V. Tyurin, A.D. Izotov and V.P. Zlomanov
DESCRIPTION OF LOW TEMPERATURE HEAT CAPACITY USING THE MODEL OF FRACTAL
20.00
Reception given by the Mayor of Vienna in the City Hall
Wednesday, September 15th
Morning Session
Chair: C. Bergman / Z.-Y. Qiao
Plenary Lecture
09.00-09.40
P5
Manfred Fähnle, Ralf Drautz, Frank Lechermann, Helmut Dosch, and Alex Diaz-Ortiz
THERMODYNAMIC PROPERTIES FROM AB-INITIO CALCULATIONS: NEW THEORETICAL DEVELOPMENTS AND APPLICATIONS TO Co-Fe AND Ni-Fe-Al
Communications
09.40-10.00
O27
Maarten Schurmans, Jan Luyten and Claude Creemers
EVALUATION AND ADAPTION OF THE BFS-METHOD
10.00-10.20
O28
Robert Sot and Krzysztof J. Kurzydlowski
ATOMIC MODELLING OF POINT DEFECTS IN B2-RuAl
10.20-10.50
Coffee Break
10.50-11.10
O29
Xing-Qiu Chen, R.Podloucky, W.Wolf, P.Rogl
AB INITIO ENTHALPIES OF FORMATION FOR BINARY LAVES PHASE COMPOUNDS
11.10-11.30
O30
Jana Houserova and Mojmir Sob
AB INITIO STUDY OF THERMODYNAMICS AND STRUCTURE OF Fe-Mo AND Fe-Ta C14 LAVES PHASES
11.30-11.50
O31
I. Yu. Gotlib, M. S. Shusterman, E. M. Piotrovskaya, and N. A. Smirnova
MOLECULAR DYNAMICS SIMULATION OF FLUORITE- AND TYSONITE- TYPE SOLID ELECTROLYTES
11.50-12.10
O32
K. Masuda-Jindo, Vu Van Hung and R. Kikuchi
FIRST PRINCIPLES CALCULATION OF THERMODYNAMIC QUANTITIES OF METALS AND ALLOYS BY STATISTICAL MOMENT AND CLUSTER VARIATION METHODS
12.10-13.30
Lunch
13.30   Excursion to Wachau and Conference Dinner
23.00   Return to Vienna
Thursday, September 16th
COST 535 Symposium (THALU)
Morning Session
Chair: S. Knott / H. Flandorfer
Plenary Lecture
09.00-09.40
P6
Rajesh Ganesan, T. Gnanasekaran and Raman S. Srinivasa
BEHAVIOUR OF OXYGEN IN LEAD-BISMUTH ALLOY
Communications
09.40-10.00
O33
S.V.Meschel and O.J.Kleppa
THERMOCHEMISTRY OF SOME BINARY ALLOYS OF COPPER AND THE LANTHANIDE METALS BY HIGH TEMPERATURE DIRECT SYNTHESIS CALORIMETRY
10.00-10.20
O34
G. Balducci, S.Brutti, A.Ciccioli. G. Gigli, A.Palenzona and M.Pani
THERMODYNAMICS OF ALKALINE-EARTH METAL SILICIDES. THE Sr -Si SYSTEM
10.20-10.50
Coffee Break
10.50-11.10
O35
Sylvie Chatain, Martial Boudinot, Christine Guéneau, Bruno Larousse, Claude Maillault, and Caroline Toffolon-Masclet
THERMODYNAMIC STUDY OF Fe-Zr ALLOYS (> 50 AT.% Zr): IRON ACTIVITY AND LIQUIDUS TEMPERATURE MEASUREMENTS
11.10-11.30
O36
Robert A. Rapp and Yunshu Zhang
MODELING OF EQUILIBRIA IN COMPLEX CRYOLITE MELTS
11.30-11.50
O37
A. I. Zaitsev, N. E. Zaitseva , A. A. Tsaplin , Ju. P. Alekseeva and S. F. Dunaev
THERMODYNAMIC PROPERTIES AND AMORPHIZATION OF Al-La ALLOYS
11.50-12.10
O38
I.A. Tomilin, S.D. Kaloshkin, V.V. Bessonov
ENTHALPY OF FORMATION OF INTERMETALLIC COMPOUNDS IN Al-Ni-Y TERNARY SYSTEM
12.10-12.30
O39
H. Brodowsky
CALCULATION OF THE THERMOPOWER OF METALS AND ALLOYS
12.30-14.00
Lunch
Afternoon Session
Chair: H. Zapolsky / P. Tsakiropoulos
Plenary Lecture
14.00-14.40
P7
A. Pasturel and C. Colinet
AB INITIO CALCULATIONS OF ENTHALPIES OF FORMATION IN Al, Fe, Ni, AND Ti BASED SYSTEMS
Communications
14.40-15.00
O40
K. Frisk, A. Kusoffsky, B. Sundman, N. Dupin, S. G. Fries and F.Lechermann
PRELIMINARY RESULTS OF MODELLING FCC AND BCC ORDERING IN THE Al-Fe-Ni TERNARY SYSTEM USING EXPERIMENTAL AND FIRST PRINCIPLES INFORMATION
15.00-15.20
O41
Julius C. Schuster and Martin Palm
(RE-ASSESSMENT OF) THE Al-Ti SYSTEM
15.20-15.40
O42
Andy Watson and Peter Quested
EXPRIMENTS, CALPHAD AND COST 535
15.40-16.40
Coffee Break and Poster Session
Plenary Lecture
16.40-17.20
P8
Nathalie Dupin and Bo Sundman
MODELLING BCC ORDERING WITH THE COMPOUND ENERGY FORMALISM
Communications
17.20-17.40
O43
Hélèna Zapolsky,S. Ferry, and Long-Qing Chen
NUMERICAL SIMULATION OF THERMODYNAMICS AND KINETICS IN Ni-Al-V SYSTEM
17.40-18.00
O44
S.G. Fries, B.Sundman and A. Dinsdale
MODELING DEVELOPMENT: INCORPORATING VOLUME IN GIBBSIAN DATABASES
Friday, September 17th
COST 531 Symposium (Lead-free Soldering)
Morning Session
Chair: R. Novakovic / J. Vrestal
Plenary Lecture
09.00-09.40
P9
W. J. Plumbridge
SECOND GENERATION LEAD-FREE SOLDER ALLOYS A CHALLENGE TO THERMODYNAMICS
Communications
09.40-10.00
O45
Francesca Gnecco, Donatella Giuranno, Enrica Ricci and Rada Novakovic
SURFACE TENSION AND WETTING BEHAVIOUR OF Au-In MOLTEN ALLOYS
10.00-10.20
O46
I. Kaban, S. Gruner, and W. Hoyer
EXPERIMENTAL AND THEORETICAL STUDY OF THE SURFACE TENSION IN LIQUID Ag–Cu–Sn ALLOYS
10.20-10.50
Coffee Break
10.50-11.10
O47
M. H. Braga, D. Soares, J. Ferreira, F. Castro and L. F. Malheiros
THERMODYNAMIC STUDY OF THE Bi-Sn-Zn SYSTEM
11.10-11.30
O48
Dominika Jendrzejczyk and Krzysztof Fitzner
THERMODYNAMIC PROPERTIES OF LIQUID SILVER – INDIUM ALLOYS DETERMINED FROM E.M.F. MEASUREMENTS
11.30-11.50
O49
Marian Kucharski and Przemyslaw Fima
THE SURFACE TENSION AND DENSITIES OF Ag-Bi, Ag-Sn AND Bi-Sn ALLOYS
11.50-12.10
O50
Joonho Lee, Wataru Shimoda, and Toshihiro Tanaka
SURFACE TENSION AND ITS TEMPERATURE DEPENDENCE OF LIQUID Sn-Ag AND Sn-Cu ALLOYS
12.30-14.00
Lunch
Afternoon Session
Chair: M.-H. Braga / W. Hoyer
Communications
14.00-14.20
O51
Anna Wierzbicka, Andrew Watson and Leszek A.Zabdyr
THERMODYNAMIC PROPERTIES OF LIQUID Ag-Cu-In LEAD-FREE SOLDER ALLOYS
14.20-14.40
O52
D.Zivkovic, V.Buchtova, D.Manasijevic , J.Vrestal
THERMODYNAMIC INVESTIGATION AND PHASE EQUILIBRIA OF THE Ag-In-Sb SYSTEM
14.40-15.00
O53
Z.Moser, W.Gasior, K.Bukat, J.Pstrus, J.Sitek and R.Kisiel
EXPERIMENTAL WETTABILITY STUDIES OF TIN BASED LIQUID ALLOYS WITH Ag, Cu, Bi AND Sb ADDITIONS
15.00-15.30
Coffee Break
15.30-15.50
O54
Rada Novakovic, Enrica Ricci, Donatella Giuranno and Francesca Gnecco
THERMO-PHYSICAL PROPERTIES OF THE Au-In-Sn SYSTEM: THEORETICAL APPROACH
15.50-16.10
O55
Yuriy Plevachuk, Vasyl Sklyarchuk , Walter Hoyer and Ivan Kaban
ELECTROPHYSICAL AND STRUCTURAL-SENSITIVE PROPERTIES OF LIQUID Sn-BASED ALLOYS
16.10-16.30
O56
Hans Flandorfer, Christoph Luef and Herbert Ipser
PHASE RELATIONS AND THERMOCHEMISTRY OF INTERMETALLIC SYSTEMS RELEVANT FOR LEAD-FREE SOLDERS
16.30
Closing of TOFA 2004

see also the list of Poster