An analysis of segregation-induced changes in grain boundary cohesion in bcc iron
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We thoroughly compare available experimental as well as theoretical values of the strengthening/embrittling energy of numerous solutes at grain boundaries in α-iron and assess their reliability. The strengthening/embrittling energy is displayed according to its relationship to the difference of corresponding sublimation enthalpies of the host and the solute as well as with regard to the position of the solute in the Periodic Table.
KeywordsDensity Functional Theory Monte Carlo Boundary Segregation Temper Embrittlement Helmholtz Energy
The authors gratefully acknowledge financial support of the Czech Science Foundation [Projects P108/12/0144 (PL) and P108/12/0311 (MŠ)], by the Grant Agency of the Academy of Sciences of the Czech Republic [Project IAA100100920 (MŠ)], by the Academy of Sciences of the Czech Republic [Institutional Projects RVO:68378271 (PL) and RVO:68081723 (MŠ)], and by the Project CEITEC – Central European Institute of Technology (CZ.1.05/1.1.00/02.0068) from the European Regional Development Fund (MŠ).
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