Determination of depths of traps for interstitials from thermodynamic data: a new view on carbon trapping and diffusion

Kód výsledku v IS VaVaI

<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F68081723%3A_____%2F13%3A00421230" target="_blank" >RIV/68081723:_____/13:00421230 - isvavai.cz</a>

Výsledek na webu

<a href="http://dx.doi.org/10.1088/0965-0393/21/6/065012" target="_blank" >http://dx.doi.org/10.1088/0965-0393/21/6/065012</a>

DOI - Digital Object Identifier

<a href="http://dx.doi.org/10.1088/0965-0393/21/6/065012" target="_blank" >10.1088/0965-0393/21/6/065012</a>

Jazyk výsledku

angličtina

Název v původním jazyce

Determination of depths of traps for interstitials from thermodynamic data: a new view on carbon trapping and diffusion

Popis výsledku v původním jazyce

Traps, such as dislocation cores, foreign atoms, surfaces of nano-precipitates, etc, can significantly influence the kinetics of diffusion of interstitial atoms in a crystal lattice. Trapping is reflected in the chemical diffusion coefficient, whose value can be up to several orders of magnitude lower than the corresponding diffusion coefficient in a trap-free system. If we consider trapping only at dilute foreign atoms, we may assume only one sort of traps in the system, the depth of which is characterized by Delta E (trapping enthalpy) given by the decrease in energy due to trapping of one mole of interstitials. In this paper, a rigorous thermodynamically based concept is offered to extract the value of trapping enthalpy Delta E from chemical potentials of interstitial atoms which are, for instance, available in the form of CALPHAD-type thermodynamic databases. Exemplarily, the values of Delta E for C-trapping at Cr impurities are evaluated. For comparison, trapping enthalpies of C a

Název v anglickém jazyce

Determination of depths of traps for interstitials from thermodynamic data: a new view on carbon trapping and diffusion

Popis výsledku anglicky

Traps, such as dislocation cores, foreign atoms, surfaces of nano-precipitates, etc, can significantly influence the kinetics of diffusion of interstitial atoms in a crystal lattice. Trapping is reflected in the chemical diffusion coefficient, whose value can be up to several orders of magnitude lower than the corresponding diffusion coefficient in a trap-free system. If we consider trapping only at dilute foreign atoms, we may assume only one sort of traps in the system, the depth of which is characterized by Delta E (trapping enthalpy) given by the decrease in energy due to trapping of one mole of interstitials. In this paper, a rigorous thermodynamically based concept is offered to extract the value of trapping enthalpy Delta E from chemical potentials of interstitial atoms which are, for instance, available in the form of CALPHAD-type thermodynamic databases. Exemplarily, the values of Delta E for C-trapping at Cr impurities are evaluated. For comparison, trapping enthalpies of C a

Druh

J_x - Nezařazeno - Článek v odborném periodiku (Jimp, Jsc a Jost)

CEP obor

BJ - Termodynamika

OECD FORD obor

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Projekt

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Návaznosti

I - Institucionalni podpora na dlouhodoby koncepcni rozvoj vyzkumne organizace

Rok uplatnění

2013

Kód důvěrnosti údajů

S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

Název periodika

Modelling and Simulation in Materials Science and Engineering

ISSN

0965-0393

e-ISSN

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Svazek periodika

21

Číslo periodika v rámci svazku

6

Stát vydavatele periodika

GB - Spojené království Velké Británie a Severního Irska

Počet stran výsledku

15

Strana od-do

"Art. No. 065012"

Kód UT WoS článku

000323290600013

EID výsledku v databázi Scopus

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