On agreement of experimental data and calculated results in grain boundary segregation

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SYSNO ASEP	0560274
Document Type	J - Journal Article
R&D Document Type	Journal Article
Subsidiary J	Článek ve WOS
Title	On agreement of experimental data and calculated results in grain boundary segregation
Author(s)	Černý, M. (CZ) Šesták, P. (CZ) Všianská, M. (CZ) Lejček, Pavel (FZU-D)_{RID, ORCID, SAI}
Number of authors	4
Article number	1389
Source Title	Metals. - : MDPI Roč. 12, č. 8 (2022)
Number of pages	12 s.
Language	eng - English
Country	CH - Switzerland
Keywords	DFT calculations ; experimental data ; energy ; entropy ; grain boundaries ; machine learning ; segregation
Subject RIV	BM - Solid Matter Physics ; Magnetism
OECD category	Condensed matter physics (including formerly solid state physics, supercond.)
Research Infrastructure	e-INFRA CZ - 90140 - CESNET, zájmové sdružení právnických osob
Method of publishing	Open access
Institutional support	FZU-D - RVO:68378271
UT WOS	000845390800001
EID SCOPUS	85137786126
DOI	10.3390/met12081389
Annotation	We show a comparison of average concentrations of silicon, vanadium, and tin at the grain boundaries of bcc iron determined (i) on the basis of calculations of the segregation energy for individual sites, (ii) experimentall, and (iii) using a phenomenological prediction for selected systems.
Workplace	Institute of Physics
Contact	Kristina Potocká, potocka@fzu.cz, Tel.: 220 318 579
Year of Publishing	2023
Electronic address	https://hdl.handle.net/11104/0333263

Number of the records: 1