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EPJ Web of Conferences

Volume 14 (2011)

Fundamentals of Thermodynamic Modelling of Materials

INSTN - CEA Saclay, France, November 15-19, 2010
Bo Sundman, Constantin Meis, Pierre-Richard Dahoo, Eric Simoni and Julian D. Gale (Ed.)

ISBN: 978-2-7598-0648-5

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Monday lectures

Open Access

Computational Thermodynamics, an overview 01001

S. G. Fries

Published online: 13 May 2011

DOI: https://doi.org/10.1051/epjconf/20111401001

Open Access

Application of Computational Thermodynamics for superalloys 01002

R. C. Reed, A. Sato, T. Tao and N. Warnken

Published online: 13 May 2011

DOI: https://doi.org/10.1051/epjconf/20111401002

Open Access

Thermodynamic Modelling 01003

B. Sundman

Published online: 13 May 2011

DOI: https://doi.org/10.1051/epjconf/20111401003

Open Access

Beyond standard DFT 01004

G. Kresse

Published online: 13 May 2011

DOI: https://doi.org/10.1051/epjconf/20111401004

Open Access

Computer session on thermodynamics 01005

B. Sundman

Published online: 13 May 2011

DOI: https://doi.org/10.1051/epjconf/20111401005

Open Access

Computer session 1 on DFT 01006

G. Kresse

Published online: 13 May 2011

DOI: https://doi.org/10.1051/epjconf/20111401006

Tuesday lectures

Open Access

Thermodynamics from lattice dynamics with DFT 02001

S. Baroni

Published online: 13 May 2011

DOI: https://doi.org/10.1051/epjconf/20111402001

Open Access

Potential Energy Surfaces 02002

J. Gale

Published online: 13 May 2011

DOI: https://doi.org/10.1051/epjconf/20111402002

Open Access

Monte Carlo Simulations 02003

F. Soisson

Published online: 13 May 2011

DOI: https://doi.org/10.1051/epjconf/20111402003

Open Access

Monte Carlo for spin crossover compounds 02004

J. Linares, A. Gindulescu, A. Rotaru, M. Paez, C. Chong and J. Nasser

Published online: 13 May 2011

DOI: https://doi.org/10.1051/epjconf/20111402004

Open Access

Computer session on Monte Carlo 02005

F. Soisson

Published online: 13 May 2011

DOI: https://doi.org/10.1051/epjconf/20111402005

Open Access

Computer session 2 on DFT 02006

J. Linares

Published online: 13 May 2011

DOI: https://doi.org/10.1051/epjconf/20111402006

Wednesday lectures

Open Access

Thermodynamic Assessments 03001

N. Dupin

Published online: 13 May 2011

DOI: https://doi.org/10.1051/epjconf/20111403001

Open Access

Experimental Data for Assesments 03002

J.-M. Joubert

Published online: 13 May 2011

DOI: https://doi.org/10.1051/epjconf/20111403002

Open Access

Theoretical data for assessments 03003

P. A. Korzhavyi

Published online: 13 May 2011

DOI: https://doi.org/10.1051/epjconf/20111403003

Open Access

Exttrapolations from thermodynamic models 03004

S. G. Fries

Published online: 13 May 2011

DOI: https://doi.org/10.1051/epjconf/20111403004

Open Access

Computer session on molecular dynamics - Tutorial in Force Field Simulation of Materials with GULP 03005

Julian D. Gale

Published online: 13 May 2011

DOI: https://doi.org/10.1051/epjconf/20111403005

Open Access

Computer session on thermodynamic assessments 03006

N. Dupin

Published online: 13 May 2011

DOI: https://doi.org/10.1051/epjconf/20111403006

Thursday lectures

Open Access

Simulation of the Thermodynamics of surfaces and interfaces 04001

J. Gale

Published online: 13 May 2011

DOI: https://doi.org/10.1051/epjconf/20111404001

Open Access

Multicomponent diffusion simulation 04002

L. Höglund

Published online: 13 May 2011

DOI: https://doi.org/10.1051/epjconf/20111404002

Open Access

Phase Field Simulations 04003

A. Finel

Published online: 13 May 2011

DOI: https://doi.org/10.1051/epjconf/20111404003

Open Access

Computer session on diffusion simulation 04004

L. Höglund

Published online: 13 May 2011

DOI: https://doi.org/10.1051/epjconf/20111404004

Friday lectures

Open Access

Magnetic Models for Computational Thermodynamics 05001

P. A. Korzhavyi

Published online: 13 May 2011

DOI: https://doi.org/10.1051/epjconf/20111405001

Open Access

High Pressure Models for Computational Thermodynamics 05002

M.H.G. Jacobs

Published online: 13 May 2011

DOI: https://doi.org/10.1051/epjconf/20111405002