Entropy matters in grain boundary segregation

J 2021

Entropy matters in grain boundary segregation

LEJČEK, Pavel; S. HOFMANN; Monika VŠIANSKÁ a Mojmír ŠOB

Základní údaje

Originální název

Entropy matters in grain boundary segregation

Autoři

LEJČEK, Pavel; S. HOFMANN; Monika VŠIANSKÁ a Mojmír ŠOB

Vydání

Acta Materialia, Oxford, Pergamon-Elsevier Science Ltd, 2021, 1359-6454

Další údaje

Jazyk

angličtina

Typ výsledku

Článek v odborném periodiku

Obor

10403 Physical chemistry

Stát vydavatele

Velká Británie a Severní Irsko

Utajení

není předmětem státního či obchodního tajemství

Odkazy

URL

Impakt faktor

Impact factor: 9.209

Označené pro přenos do RIV

Ano

Kód RIV

RIV/00216224:14310/21:00121041

Organizační jednotka

Přírodovědecká fakulta

Klíčová slova anglicky

Segregation; Grain boundaries; Entropy; Compensation effect

Štítky

14313010, rivok

Příznaky

Mezinárodní význam, Recenzováno

Změněno: 4. 3. 2022 10:03, Mgr. Marie Novosadová Šípková, DiS.

Anotace

V originále

Starting with a fairly comprehensive database on experimental results on enthalpy and entropy of grain boundary segregation, the detrimental influence of ignoring the segregation entropy term is shown for the latter as well as for additional examples of intergranular cohesion, the stability of nanograin size, and the segregation enthalpy-segregation entropy compensation effect. Furthermore, the decisive role of segregation entropy in the transition from substitutional to interstitial segregation with increasing temperature, and the newly explored effect of entropy-dominated grain boundary segregation are presented. Despite the direct evidence of the importance of entropy in grain boundary segregation, its contribution has been frequently neglected in the literature. One of the possible reasons is that the routines for a theoretical determination of the segregation entropy are still missing. We hope that, in the near future, progress in advanced theoretical methods will substantially improve our present understanding of grain boundary segregation.

Návaznosti

LQ1601, projekt VaV

Název: CEITEC 2020 (Akronym: CEITEC2020)

Investor: Ministerstvo školství, mládeže a tělovýchovy ČR, CEITEC 2020

Citovat

LEJČEK, Pavel; S. HOFMANN; Monika VŠIANSKÁ a Mojmír ŠOB. Entropy matters in grain boundary segregation. Acta Materialia. Oxford: Pergamon-Elsevier Science Ltd, 2021, roč. 206, March 2021, s. 1-12. ISSN 1359-6454. Dostupné z: https://doi.org/10.1016/j.actamat.2020.116597.

@article{1734696,
   author = {Lejček, Pavel and Hofmann, S. and Všianská, Monika and Šob, Mojmír},
   article_location = {Oxford},
   article_number = {March 2021},
   doi = {https://doi.org/10.1016/j.actamat.2020.116597},
   keywords = {Segregation; Grain boundaries; Entropy; Compensation effect},
   language = {eng},
   issn = {1359-6454},
   journal = {Acta Materialia},
   title = {Entropy matters in grain boundary segregation},
   url = {https://doi.org/10.1016/j.actamat.2020.116597},
   volume = {206},
   year = {2021}
}

TY  - JOUR
ID  - 1734696
AU  - Lejček, Pavel - Hofmann, S. - Všianská, Monika - Šob, Mojmír
PY  - 2021
TI  - Entropy matters in grain boundary segregation
JF  - Acta Materialia
VL  - 206
IS  - March 2021
SP  - 1-12
EP  - 1-12
PB  - Pergamon-Elsevier Science Ltd
SN  - 13596454
KW  - Segregation
KW  - Grain boundaries
KW  - Entropy
KW  - Compensation effect
UR  - https://doi.org/10.1016/j.actamat.2020.116597
L2  - https://doi.org/10.1016/j.actamat.2020.116597
N2  - Starting with a fairly comprehensive database on experimental results on enthalpy and entropy of grain boundary segregation, the detrimental influence of ignoring the segregation entropy term is shown for the latter as well as for additional examples of intergranular cohesion, the stability of nanograin size, and the segregation enthalpy-segregation entropy compensation effect. Furthermore, the decisive role of segregation entropy in the transition from substitutional to interstitial segregation with increasing temperature, and the newly explored effect of entropy-dominated grain boundary segregation are presented. Despite the direct evidence of the importance of entropy in grain boundary segregation, its contribution has been frequently neglected in the literature. One of the possible reasons is that the routines for a theoretical determination of the segregation entropy are still missing. We hope that, in the near future, progress in advanced theoretical methods will substantially improve our present understanding of grain boundary segregation.
ER  -

LEJČEK, Pavel; S. HOFMANN; Monika VŠIANSKÁ a Mojmír ŠOB. Entropy matters in grain boundary segregation. \textit{Acta Materialia}. Oxford: Pergamon-Elsevier Science Ltd, 2021, roč.~206, March 2021, s.~1-12. ISSN~1359-6454. Dostupné z: https://doi.org/10.1016/j.actamat.2020.116597.

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