Development prospects
Molecular dynamics applied to materials

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RE136 V1 Research and innovation

Development prospects


Molecular dynamics applied to materials

Authors : Charlotte BECQUART, Michel PEREZ

Publication date: January 10, 2010, Review date: June 1, 2015 | Lire en français

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4. Development prospects

Molecular dynamics is a relatively young field of research, which is currently expanding rapidly thanks to the ever-growing number of users (and therefore developers). Among the main avenues for development in the years to come are :

  • the development of "multi-atom" potentials describing binary or even ternary systems: FeC, FeCCr, FeCMn... ;

  • Interatomic potentials consistent with thermodynamics", a method based on the "cluster variation method" ...

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