| About this Abstract |
| Meeting |
2010 TMS Annual Meeting & Exhibition
|
| Symposium
|
Computational Thermodynamics and Kinetics
|
| Presentation Title |
Modelling Ordering Phenomena in Condensed Phases |
| Author(s) |
Bo Sundman, Mauro Palumbo, Suzana G Fries |
| On-Site Speaker (Planned) |
Bo Sundman |
| Abstract Scope |
Ordering phenomena are a fascinating theoretical, experimental and
applied scientific topic since more than one century. For simple
binary system detailed models can be made but for multicomponent
system Computational Thermodynamics (CT) is the only methodolgy that
can be applied to combine the adquired knowledge for relevant
applications.
Guided by theoretical approaches and based on experimental evidence,
CT uses simple models which are very powerful in simulations for
materials development, in particular the recent sucessful use of DFT
results in the calculation of TCP solution phases. There are no
simliar theoretical methods to deal with ordering in liquid phases
but models for ordering in liquids are very important
This paper reviews the present models, points out the need of
improvements and how they can to be used in the recently lauched
SAPIENS project for a sustaintaible thermodynamic database. |
| Proceedings Inclusion? |
Definite: A CD-only volume |