About SurfSeg
Segregation is a phenomenon that one of components of a material has higher concentration at surface or interface of a material than in a bulk or film.
When a component segregates at the surface (surface segregation), many surface-relating properties such as wear, friction, corrosion, catalytic function and electron emission would be altered.
When a component segregates at the interface (interface segregation), many interface-relating properties such as adhesion, interface reaction and electric contact (Shottky barrier height) would be influenced. SurfSeg is designed to simulate surface or interface segregation in the following four cases (at the time of April 2009, only the first one is available). Materials are approximated as a uniform media, therefore, the crystal orientation dependence of physical properties relating to the segregation is not taken into account for the simulation. surface segregation in film/substrate system (available from April 2009)
- surface segregation in film/substrate system (available from April 2009) Segregation of substrate atoms on the surface of a film is predicted by comparing the adsorption energy of a substrate atom on film material with that on substrate material. The principle of simulation is explained in more detail in the literature [Michiko Yoshitake, Yarrama-Reddy Aparna, and Kazuhiro Yoshihara, J. Vac. Sci. Technol., A 19, 2001, pp. 1432-1437.]
- surface segregation in dilute alloy system (available from January 2023) The principle of simulation is explained in the literature [Michiko Yoshitake, 10.51094/jxiv.297]
- interface segregation at film-substrate interface (available from January 2023) The principle of simulation is explained in the literature [Michiko Yoshitake, Yarrama-Reddy Aparna, and Kazuhiro Yoshihara, J. Vac. Sci. Technol., A 19, 2001, 2612-2616.]
- interface segregation at alloy-substrate interface (available from January 2023) The principle of simulation is explained in the literature [Michiko Yoshitake, 10.51094/jxiv.297]
The principle of simulation UNDER OXYGEN ATMOSPHERE (available from August 2012) is explained in the literature [Michiko Yoshitake, Jpn. J. Appl. Phys., 51, 2012, 085601.]
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Citing the database
Please cite SurfSeg using either the paper below or the database URL.
●Paper
Yoshitake, M. (2023) Free software for general prediction of surface and interface segregation: SurfSeg - updated. https://doi.org/10.51094/jxiv.297
●Database URL
Full list of relevant papers
SurfSeg: https://surfseg.nims.go.jp/ National Institute for Materials Science (NIMS), accessed {date-of-your-access}.
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