[HTML][HTML] A coherent set of model equations for various surface and interface energies in systems with liquid and solid metals and alloys

G Kaptay - Advances in colloid and interface science, 2020 - Elsevier
In this paper first a generally valid model is derived from the two fundamental equations of
Gibbs for temperature and composition dependences of all types of interfacial energies. This …

High-entropy grain boundaries

J Luo, N Zhou - Communications Materials, 2023 - nature.com
As high-entropy alloys receive an increasing amount of attention, an interesting scientific
question arises: can grain boundaries be “high entropy”? In 2016, we proposed “high …

Correlation between stabilizing and strengthening effects due to grain boundary segregation in iron-based alloys: Theoretical models and first-principles calculations

HR Peng, WT Huo, W Zhang, Y Tang, S Zhang… - Acta Materialia, 2023 - Elsevier
Grain boundary (GB) segregation can drastically affect both the thermal stability and fracture
strength of nanocrystalline metals. Underlying physics of the correlation between the above …

First-principles study on the P-induced embrittlement and de-embrittling effect of B and C in ferritic steels

J Wang, M Enomoto, C Shang - Acta Materialia, 2021 - Elsevier
First-principles calculations of the Σ5 (310) grain boundary in Fe with B, C and P were
performed to reveal the mechanism of P-caused embrittlement and de-embrittling effect of B …

Combinatorial study of thermal stability in ternary nanocrystalline alloys

SA Kube, W Xing, A Kalidindi, S Sohn, A Datye… - Acta Materialia, 2020 - Elsevier
Nanocrystalline alloys can be stabilized through selective grain boundary segregation of
specific solute element additions. Increasing attention is being paid to ternary and higher …

Mechanism of elemental segregation around extended defects in high-entropy alloys and its effect on mechanical properties

S Ma, W Liu, Q Li, J Zhang, S Huang, Y Xiong, B Xu… - Acta Materialia, 2024 - Elsevier
Elemental segregation around extended defects is common in high-entropy alloys (HEAs)
composed of multi-principal elements, which profoundly impacts their mechanical …

Factors controlling segregation tendency of solute Ti, Ag and Ta into different symmetrical tilt grain boundaries of tungsten: First-principles and experimental study

AT AlMotasem, T Huminiuc, T Polcar - Acta Materialia, 2021 - Elsevier
In previous reports, experimental studies have shown that both thermal stability and strength
can be controlled by grain boundary (GB) segregation. In this study, we investigate the …

Grain size dependencies of intergranular solute segregation in nanocrystalline materials

N Tuchinda, CA Schuh - Acta Materialia, 2022 - Elsevier
Grain boundary segregation is of increasing importance for stabilizing nanocrystalline
alloys, and while segregation is typically modeled as a scale-independent phenomenon, at …

Entropy matters in grain boundary segregation

P Lejček, S Hofmann, M Všianská, M Šob - Acta Materialia, 2021 - Elsevier
Starting with a fairly comprehensive database on experimental results on enthalpy and
entropy of grain boundary segregation, the detrimental influence of ignoring the segregation …

Interfacial energies in nanocrystalline complex oxides

RHR Castro - Current Opinion in Solid State and Materials Science, 2021 - Elsevier
This paper presents a brief description of the role of interfacial energies in the understanding
and control of nanocrystalline complex oxides in both particulate and bulk forms. Interfacial …