Free software for general prediction of surface and interface segregation: SurfSeg - updated

Yoshitake, Michiko

doi:10.51094/jxiv.297

##article.authors##

Yoshitake, Michiko Research Center for Functional Materials, National Institute for Material Science https://orcid.org/0000-0002-0973-5666

DOI:

https://doi.org/10.51094/jxiv.297

キーワード:

segregation、 diffusion、 mixing enthalpy、 surface energy、 bulk modulus

抄録

The updated functions of a free software for general prediction of surface and interface segregation, SurfSeg, is reported. So far, only surface segregation of underlayer element on the top film surface was implemented in SurfSeg. With the current update, Surface segregation (bulk), Interface segregation (film), and Interface segregation (bulk) have become available. The mathematical formula for each type of prediction have been provided in the article. Dump screens of the software for operating the predictions, input of an element for prediction and the display of the predicted results are given.

利益相反に関する開示

The author declares no potential conflict of interests.

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