|
Contents
First mailing
Second mailing
Third mailing
Final information
Congress Venue
Travel information
Programme
Posters
Registration
Abstracts
Organizing Committee |
Here is the final version (updated May 16, 2005) of the programme:
|
Sunday,
May 22 2005
|
|
|
|
15:00
|
Registration
at Vaeshartelt Castle
|
|
19:00
|
Reception
at Vaeshartelt Castle
|
|
Monday,
May 23 2005
|
|
|
|
8.30
|
|
Session 1 : First Principles and Other
Matters
Chair
: Jan VREŠTÁL = = =
Zi-Kui LIU
|
|
8:40
|
Z-K.
Liu
|
|
9:10
|
R.N.
Nogueira and C.G. Schön
Embedded
Atom Study of the interaction between point defects in iron
aluminides
|
|
9:30
|
M.
Šob, M. Friák, D. Legut, M. Čák, T. Káňa
and M. Zelený
Ab
initio studies of displacive phase transformations in metallic
systems
|
|
9:50
|
J.
Houserová
and M. Šob
Ab
initio lattice stability in Laves phases: all-electron (WIEN) vs.
pseudopotential (VASP) calculations
|
|
10:10
|
Coffee
|
|
10:40
|
B-J. Lee
Semi-Empirical Interatomic Potentials for Carbon and
Fe-C System
|
|
11:00
|
S.
Prins,
R. Arroyave and Z-K. Liu
The
use of first principle calculations for the thermodynamic modeling
of B2 in the Al-Ni-Ru system
|
|
11:20
|
T. Tokunaga,
H. Ohtani and M. Hasebe
Thermodynamic analysis of the Zr-Be system using
thermochemical properties based on ab
initio calculations
|
|
11:40
|
V.L.
Vinograd, M.H.F.
Sluiter and B. Winkler
The
Impurity Method and its applications to oxide solid solutions with
coupled substitutions
|
|
12:00
|
A.N.
Grundy,
B. Hallsted, and L. J. Gauckler
Calculating Defect Chemistry using the CALPHAD
Approach
|
|
12:30
|
Lunch
|
Session 2 : High Pressure
Chair
: Josep Lluís TAMARIT =
= = Olga FABRICHNAYA
|
|
14:00
|
O.Fabrichnaya,
S. Lakiza, M. Zinkevich and F. Aldinger
Thermodynamic
database for the ZrO2-Gd2O3-Y2O3-Al2O3
system
|
|
14:30
|
A.E.
Gheribi,
J. Rogez, J.C. Mathieu, F. Marinelli and
M.C. Record
Theoretical
calculation of phase diagram : Introduction of the pressure
dependance
|
|
14:50
|
M.H.G.
Jacobs,
B.H.W.S. de Jong, A.P. van den Berg and H.A.J. Oonk
Thermo-physical properties and phase equilibria of
mantle materials derived from lattice vibrations
|
|
15:10
|
A.P.
van den Berg,
M.H.G. Jacobs and B.H.W.S. de Jong
Thermal
Convection Models for Planetary Mantles Based on Self-consistent
Thermodynamics
|
|
15:30
|
|
|
|
Session 3 : Modeling and Experiments
Chair
: Jean-Claude GACHON
= = = Rainer
SCHMID-FETZER
|
|
|
R.
Schmid-Fetzer, M. Ohno, and D. Mirkovic
Thermodynamic Modeling and Key Experiments in
Mg-Al-Mn-Zn Alloys
|
|
17:10
|
M.
Medraj,
M.A. Parvez, E. Essadiqi, A. Muntasar and G. Dénès
Experimental Investigation and Thermodynamic
Modeling of Magnesium Alloy Systems
|
|
17:30
|
M. Abou Khatwa and D.V. Malakhov
On the stability of the a-phase
in aluminum alloys
|
|
17:50
|
S. Balanetskyy, T.Ya. Velikanova, B. Grushko, M. Feuerbacher and K. Urban
Formation and stability of
complex intermetallic phases in the Al-rich region of Al-Pd-Re and
Al-Pd-Mn
|
|
18:10
|
J. Vizdal
and A. Kroupa
The
experimental and theoretical study of phase equilibria in the Bi-Sn-Zn
system
|
|
20:00
|
Dinner
|
Tuesday, May 24 2005
|
Session 4 : CALPHAD Thermodynamics
Chair
: Nathalie DUPIN = = =
Patrice CHARTRAND
|
|
8:30
|
P. Chartrand
Thermodynamic
Modeling of MgF2 - MgO in NaF - AlF3 - Al2O3
- CaF2 - LiF
|
|
9:00
|
L.
Kaufman
(CT)
The CALPHAD Approach to Computational Themodynamics
|
|
9:30
|
J.
Vrestal, J. Pinkas, A Kroupa , J. Houserová, A. Scott and A. Watson
Thermodynamic Assessment of Phase Diagram of Bi-Pd System
|
|
9:50
|
T. Abe, M. Shimono and H. Onodera
Thermodynamic modeling of the undercooled liquid by
the regular associated solution model
|
|
10:10
|
Coffee
|
|
10:40
|
T. Benlaharche, N. David, J.M.
Fiorani and M. Vilasi
Thermodynamic modeling of the Mo-Pt, Pt-Si and
Mo-Pt-Si systems
|
|
11:00
|
J.C. Tedenac,
D. Ravot and S.G. Fries
The
behaviour of the B8, C18 and DO2 phases in the Co-Fe-Sb
ternary system
|
|
11:20
|
H. Ohtani,
N. Hanaya,
S. Teraoka,
M. Abe and M. Hasebe
Thermodynamic analysis
of the Fe-Ti-P ternary system
|
|
11:40
|
D.
Sedmidubský, J.
Leitner, A. Strejc, O. Beneš and M. Nevřiva
Phase
Equilibria Modeling in Bi-Sr-Mn-O System
|
|
12:00
|
B.
Onderka and W.
Zakulski
Phase
Diagram Calculation of the Al-Mg-Sr System
|
|
12:30
|
Lunch
|
|
|
Session 5 : Kinetic Matters
Chair
: Hyuck Mo LEE = = =
Bengt HALLSTEDT
|
|
14:00
|
B. Hallstedt
Melting
of Alloys
|
|
14:30
|
J.
Bratberg,
J. Ågren and K. Frisk
Diffusion simulations of MC and M7C
carbide coarsening in bcc and fcc matrix using a new thermodynamic
and kinetic description
|
|
14:50
|
M.
Palumbo, M.
Baricco and L. Battezzati
Thermodynamic
and kinetic modeling of the Fe-B and Al-Ni-Ce amorphous and
nanocrystalline alloys
|
|
15:10
|
N.
Moelans,
B. Blanpain and
P. Wollants
Phase
field simulations of grain growth in materials containing a finely
dispersed second phase
|
|
15:30
|
Posters
– Coffee
|
|
16:40
|
R.
R. De Avillez, F. C. Rizzo Assunção and B.
Marinkovic
Aging
Behavior of a 2.25Cr-1Mo Steel
|
|
17:00
|
R.
Bernst, G.
Inden and A. Schneider
Carburisation
of diffusion couples
|
|
17:20
|
M.
Sacerdote-Peronnet and J.C. Viala
Observed reaction paths and corresponding diffusion
paths in ternary metallic phase diagrams
|
|
17:40
|
A.
Davydov,
K. Moon, W. Boettinger and U. Kattner
Use
of the Au-Zn-O phase diagram for ZnO nanowhisker growth
|
|
18:00
|
J. Moon, J. Ryu, C. Lee, Y. An and J.
Lee
Development of prediction model for
precipitates kinetics and austenite grain growth in the weld heat
affected zone
|
|
20:00
|
|
|
Wednesday,
May 25 2005
|
Session 6 : Miscellaneous
Chair
: Pierre PERROT = = =
Arthur PELTON
|
|
8:30
|
A.D.
Pelton
Models
for multicomponent liquid solutions
|
|
9:00
|
S.S.
Han, J.K. Kang, H.S. Kim, J.Y. Lee, A C T. van Duin , W.A. Goddard
III and H.M. Lee
Hydrogen adsorption and desorption mechanism in
carbon nanotubes
|
|
9:20
|
P.
Koukkari, R.
Pajarre and K. Penttilä
Calculation
of Constrained Equilibria by Gibbs Energy Minimisation
|
|
9:40
|
B. Guy
The
qualitative structure of phase diagrams: from the works of
Schreinemakers (the Netherlands, beginning of the XXth
century) to present day
|
|
10:00
|
Coffee
|
|
10:30
|
A.Yu.
Zakharov, M.A.
Zakharov, A.L. Udovsky and H.A.J. Oonk
On the statistical
thermodynamics of solutions with variable valence states of one of
the components
|
|
10:50
|
O.
Semenova, H. Numakura and H. Ipser
Ni3Ga
– Defect Structure and Changes in Degree of Long Range Order
|
|
11:10
|
J-M. Joubert
Crystallochemistry
and CALPHAD modeling of the s
phase
|
|
11:30
|
C-I. Huang,
Y-C. Chiu and Y-C. Hsu
Phase Behavior of a Diblock Copolymer in the
Presence of Two Solvents
|
|
11:50
|
Z. Moser, W. Gąsior and J. Pstruś
Influence of antimony additions on surface
tension and density of Sn-Sb, Sn-Ag-Sb and Sn-Ag-Cu-Sb alloys.
Experiment vs. modeling
|
|
12:10
|
L. Kaufman and M.
Bamberger
|
|
12:25
|
End
of Session
|
|
12:45
|
Lunch
and Excursion
|
|
19:00
|
Conference
diner in Chateau Neercanne
|
|
Thursday,
26 May 2005
|
Session 7 : Experimental Thermodynamics
Chair
: Miquel Àngel CUEVAS-DIARTE =
= = Susan MESCHEL
|
|
8:30
|
S.V.
Meschel
and O.J. Kleppa
The
Standard Enthalpies of Formation of Some Inter- Transition Metal
Compounds by High Temperature Direct Synthesis Calorimetry
|
|
9:00
|
G.C. Coelho, J.C. Gachon, C.A. Nunes,
J.M. Fiorani and M. Vilasi
Enthalpies of
formation of intermetallic phases of the Ti–Si, Ti–B and Ti–Si–B
systems measured by direct synthesis calorimetry
|
|
9:20
|
M. Kopyto, B. Onderka, A.T. Dinsdale and L. A. Zabdyr
Phase Equilibria in the Ag-Cu-Sn LEAD-Free
Solder Alloys
|
|
9:40
|
T. Markus, M. Ohnesorge, D. Kobertz
and K. Hilpert
Thermodynamic
Activity Measurements and Assessment of the System NaI – CeI3
|
|
10:00
|
Coffee
|
|
10:30
|
A. Talekar, R. Chellappa, D. Chandra,
A.O. Tsokol and J.A. Sampio
Low Temperarure Heat Capacities and Debye
Temperatures of Organic “Plastic” Crystals
|
|
10:50
|
S.C.
Divi,
R. Chellappa and D. Chandra
Excess
Molar Heat Capacities of Organic “Plastic Crystal” Binary
System: Tris(hydroxymethyl)aminomethane – Neopentylglycol
|
|
11:10
|
V.T. Witusiewicz L. Sturz, U. Hecht and S. Rex
Experimental
Investigation and CALPHAD Description of the Quaternary Organic
Alloy System AMPD-DC-NPG-SCN
|
|
11:30
|
L.
Bencze, D. Raj, T. Markus, S. Das, W. Löser, W.A. Oates, D. Kath,
L. Singheiser and K. Hilpert
Thermodynamic
Actvity Measurements in the B2 Phase (Ni,Fe)1‑xAlx
|
|
11:50
|
W.
A. Oates,
L. Bencze, T. Markus and K. Hilpert
Thermodynamic
Modelling of the A2/B2 Phases in the Fe-Ni-Al-Va System
|
|
12:30
|
Lunch
|
|
|
Session 8 : Nuclear Materials and Other
Matters
Chair
: Marko HÄMÄLÄINEN =
= = Rudy KONINGS
|
|
14:00
|
P.
Masset
and R.J.M. Konings
Optimisation of
MCl-AnClx (M=Li,Na,K; An=U, Pu) phase diagrams
|
|
14:30
|
C. Toffolon-Masclet, S. Chatain, C. Gueneau and N. Dupin
Thermodynamic
study of the Zr-Fe system
|
|
14:50
|
I.
Drouelle, C.
Gueneau, S. Chatain and Ph. Zeller
Thermodynamic
Assessment of Al-Li-O-Zr System
|
|
15:10
|
A.L.
Udovsky, D.A. Vasilyev and H.A.J. Oonk
Thermodynamic assessments of stabilities
Parameters for metastable w-phases
of Zr and U and Phase Diagram of the U-Zr system, including d-UZr2
–phase
|
|
15:30
|
Posters
– Coffee
|
|
16:40
|
R.
Jerlerud Pérez, V. Baykov ,
B. Sundman and C. Toffolon-Masclet
Reassessment
of the Zr-Sn binary system
|
|
17:00
|
J.
van der Meer,
R. Konings and H.A.J. Oonk
Thermodynamic
modelling and experiments on LiF-NaF-LnF3 and LiF-NaF-AnF3
for Molten Salt Reactor fuel
|
|
17:20
|
G.J.L.M.
de Haas,
R.P.C. Schram and
M.J. den Exter
Incorporation
of boron in MgO-based composites for transmutation
|
|
17:40
|
L.
Teng,
R.E. Aune, W. Li, S. Seetharaman
Thermodynamic investigations and assessment of the Mn-Ni-C
system
|
|
18:00
|
C.
Robelin
and P. Chartrand
Modeling
the Volumetric Properties of Multicomponent Liquids :
The NaCl-KCl-MgCl2-CaCl2 and Na+,
Al3+, Ca2+//F-, O2-
Systems
|
|
20:00
|
|
|
Friday,
May 27 2005
|
|
Session
9 : Cluster Variation Subjects
Chair
: Marcel SLUITER = = = Tetsuo
MOHRI
|
|
8:30
|
T. Mohri
and Y. Kobayashi
Crystal-Glass transition studied by CVM and PPM
|
|
9:00
|
L.
Eleno,
J. Balun, C. Schön, G. Inden
CVM calculations on the bcc Fe-Rh-Ti system
|
|
9:20
|
D.E.
Nanu,
S. Shang and A.J. Böttger
A
CVM-based study of the effect of alloying on hydrogen solubility in
palladium alloys
|
|
9:40
|
S. Shang
and A.J. Böttger
A combination of the cluster variation method
and ab initio calculations: application to hexagonal interstitial e-Fe6Ny
alloys
|
|
10:00
|
Coffee
break
|
|
|
|
Session
10 : CALPHAD Thermodynamics and Related Subjects
Chair
: Michel JACOBS = = =
Suzana FRIES
|
|
10:30
|
S.G.
Fries
Check
List for Publishing CALPHAD-type Thermodynamic and Kinetic
Assessments: proposal for the CALFOR
standard format
|
|
11:00
|
D. Lindberg, P. Chartrand and R.
Backman
Thermodynamic modeling of the system Na-K-S
|
|
11:20
|
S.H. Lee
and K.J. Lee
The Effects of Alloying Elements on Thermodynamic
Properties of Nb-Carbide in Microalloyed Steels
|
|
11:40
|
M.H.F.
Sluiter,
V.L. Vinograd and Y. Kawazoe
|
|
12:00
|
D.W.
Shin and Z.K. Liu
Special
Quasirandom Structure calculation of binary HCP alloys
|
|
12:20
|
Closing
|
|
12:30
|
Lunch
|
|
