The relationship between grain boundary structure, defect mobility and grain boundary sink efficiency

BP Uberuaga, LJ Vernon, E Martinez, AF Voter - Scientific reports, 2015 - nature.com
… of the interfaces in modifying defect behavior is unclear. … mobility of defects and defect
clusters at grain boundaries in Cu. We find that mobilities vary significantly with boundary structure

Molecular-dynamics studies of grain-boundary diffusion. I. Structural properties and mobility of point defects

T Kwok, PS Ho, S Yip - Physical Review B, 1984 - APS
… The structural relaxation of a high-angle grain boundary at … The system studied was a 2=5
(36.9'), [001] tilt boundary with … an extrinsic vacancy, the boundary structure was found to be …

Grain Boundary Mobility in Y2O3: Defect Mechanism and Dopant Effects

PL Chen, IW Chen - Journal of the American ceramic society, 1996 - Wiley Online Library
grain boundary mobility. Third, grain boundary mobility is influenced by dopant-defect
dopants have a tendency to markedly enhance grain boundary mobility, probably due to the …

Grain boundary structure and mobility in high-entropy alloys: A comparative molecular dynamics study on a Σ11 symmetrical tilt grain boundary in face-centered cubic …

D Utt, A Stukowski, K Albe - Acta Materialia, 2020 - Elsevier
grain boundary structure is most strongly influenced by presence of stacking faults. Under an
… For this reason the grain boundary mobilities and stacking fault energies are directly related…

Grain boundary controlled electron mobility in polycrystalline titanium dioxide

SK Wallace, KP McKenna - Advanced materials interfaces, 2014 - Wiley Online Library
… of grain boundaries on electron trapping and mobility. We consider a model Σ5 (210)[001] tilt
grain boundary … To investigate the interaction of electrons with the grain boundary defect we …

Remarkably high thermal-driven MoS 2 grain boundary migration mobility and its implications on defect healing

X Liu, ZG Yu, G Zhang, YW Zhang - Nanoscale, 2020 - pubs.rsc.org
… and dynamics of four types of grain boundaries (GBs) in … |8 GBs possess a much higher
migration mobility than the S5|7 … due to the change in defect configurations with temperature. Our …

Grain size dependent grain boundary defect structure: case of doped zirconia

X Guo, Z Zhang - Acta materialia, 2003 - Elsevier
… of grain size, and the microstructure studied by SEM and HREM. In spite of the very clean
grain boundaries, the grain boundary … , while it increased with decreasing grain size. The low …

Role of atomic structure on grain boundary-defect interactions in Cu

XM Bai, LJ Vernon, RG Hoagland, AF Voter… - Physical Review B …, 2012 - APS
… For most irradiation conditions of interest, temperatures are sufficiently high that point defects
are mobile on relevant time scales. Thus, as shown in the previous section, while GBs in …

Misorientation dependence of intrinsic grain boundary mobility: simulation and experiment

M Upmanyu, DJ Srolovitz, LS Shvindlerman… - Acta materialia, 1999 - Elsevier
… Once this is put on a firm foundation, it will be much easier to account for such complicated
extrinsic effects such as those associated with impurities, defect absorption/generation, and …

Grain boundary mobility of BaTiO3 doped with aliovalent cations

MN Rahaman, R Manalert - Journal of the European Ceramic Society, 1998 - Elsevier
… The effects of the dopants on the boundary mobility are discussed in terms of the defect
chemistry and the space-charge concept. © ]998 Published by Elsevier Science Limited. All …