A new computational treatment of reactive diffusion in binary systems

•New computational method for reactive diffusion.•Applicability to binary multiphase systems.•Phase transformations are handled automatically.•Proper interface contact conditions are guaranteed.•Chemical potentials are continuous across interface. Reactive diffusion is usually explained and simulate...

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Veröffentlicht in:	Computational materials science 2013-10, Vol.78, p.39-46
Hauptverfasser:	Svoboda, J., Fischer, F.D.
Format:	Artikel
Sprache:	eng
Schlagworte:	Chemical composition Chemical interdiffusion diffusion barriers Chemical potential Computer simulation Condensed matter: structure, mechanical and thermal properties Diffusion Diffusion in solids Exact sciences and technology Interface migration Intermetallic compounds Mathematical analysis Mathematical models Multi-component diffusion Phases Physics Reactive diffusion Thermodynamics Transport properties of condensed matter (nonelectronic)
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