The role of grain boundary character in solute segregation and thermal stability of nanocrystalline Pt–Au

CM Barr, SM Foiles, M Alkayyali, Y Mahmood, PM Price… - Nanoscale, 2021 - pubs.rsc.org
Nanocrystalline (NC) metals suffer from an intrinsic thermal instability; their crystalline grains
undergo rapid coarsening during processing treatments or under service conditions. Grain …

Atomic motifs govern the decoration of grain boundaries by interstitial solutes

X Zhou, A Ahmadian, B Gault, C Ophus… - Nature …, 2023 - nature.com
Grain boundaries, the two-dimensional defects between differently oriented crystals, tend to
preferentially attract solutes for segregation. Solute segregation has a significant effect on …

Structures and transitions in bcc tungsten grain boundaries and their role in the absorption of point defects

T Frolov, Q Zhu, T Oppelstrup, J Marian, RE Rudd - Acta Materialia, 2018 - Elsevier
We use atomistic simulations to investigate grain boundary (GB) phase transitions in
elemental body-centered cubic (bcc) metal tungsten. Motivated by recent modeling study of …

Defect character at grain boundary facet junctions: Analysis of an asymmetric Σ= 5 grain boundary in Fe

DL Medlin, K Hattar, JA Zimmerman, F Abdeljawad… - Acta Materialia, 2017 - Elsevier
Grain boundaries often develop faceted morphologies in systems for which the interfacial
free energy depends on the boundary inclination. Although the mesoscale thermodynamic …

The grain boundary stiffness and its impact on equilibrium shapes and boundary migration: analysis of the Σ5, 7, 9, and 11 boundaries in Ni

RD Moore, T Beecroft, GS Rohrer, CM Barr, ER Homer… - Acta Materialia, 2021 - Elsevier
Grain boundaries (GBs) play a critical role in the formation of microstructure during materials
processing and its subsequent evolution under service conditions. While GB misorientation …

The role of the interface stiffness tensor on grain boundary dynamics

F Abdeljawad, SM Foiles, AP Moore, AR Hinkle… - Acta Materialia, 2018 - Elsevier
Grain boundary (GB) properties and associated anisotropies due to the boundary's
geometric degrees of freedom (DOF) greatly influence many of the salient features of …

Solute stabilization of nanocrystalline tungsten against abnormal grain growth

OK Donaldson, K Hattar, T Kaub… - Journal of Materials …, 2018 - cambridge.org
Microstructure and phase evolution in magnetron sputtered nanocrystalline tungsten and
tungsten alloy thin films are explored through in situ TEM annealing experiments at …

[HTML][HTML] Revealing in-plane grain boundary composition features through machine learning from atom probe tomography data

X Zhou, Y Wei, M Kühbach, H Zhao, F Vogel… - Acta materialia, 2022 - Elsevier
Grain boundaries (GBs) are planar lattice defects that govern the properties of many types of
polycrystalline materials. Hence, their structures have been investigated in great detail …

Atomistic simulation study of the FCC and BCC crystal-melt interface stresses

WL Lu, HT Liang, XM Ma, ZF Yuan, X Zhang… - Surfaces and …, 2022 - Elsevier
In this work, molecular dynamics simulations have been used to undertake a computational
study of the equilibrium crystal-melt interface stresses in face-centered-cubic (FCC) Ni and …

Concepts of modeling surface energy anisotropy in phase-field approaches

O Tschukin, A Silberzahn, M Selzer, PGK Amos… - Geothermal energy, 2017 - Springer
To simulate the growth of geological veins, it is necessary to model the crystal shape
anisotropy. Two different models, classical and natural models, which incorporate the …