Atomistic mechanisms of thermal transport across symmetric tilt grain boundaries in MgO
Sign Up to like & getrecommendations! Published in 2019 at "Acta Materialia"
DOI: 10.1016/j.actamat.2019.04.009
Abstract: Abstract Grain boundaries often have a decisive effect on the macroscopic properties of polycrystalline materials, but the wide variety of their atomic structures, interfacial lengths, and compositions makes them difficult to characterize all-encompassingly. An indispensable… read more here.
Keywords: symmetric tilt; tilt grain; thermal transport; grain boundaries ... See more keywords
The shock response of crystalline Ni with H-free and H-segregated 〈1 1 0〉 symmetric tilt GBs
Sign Up to like & getrecommendations! Published in 2018 at "Computational Materials Science"
DOI: 10.1016/j.commatsci.2018.02.030
Abstract: Abstract The shock responses of crystalline Ni with two types of symmetric tilt grain boundaries (STGBs) are studied by large-scale molecular dynamics simulations, with special concerns on the effect of hydrogen segregated STGBs on them.… read more here.
Keywords: dislocation emission; symmetric tilt; segregated stgbs; crystalline ... See more keywords
Atomistic study of the structure and deformation behavior of symmetric tilt grain boundaries in α-zirconium
Sign Up to like & getrecommendations! Published in 2021 at "Computational Materials Science"
DOI: 10.1016/j.commatsci.2021.110600
Abstract: Abstract We have investigated the structure, energetics and mechanical deformation of symmetric tilt grain boundaries (STGB) in hexagonal close-packed Zr ( α -Zr). Molecular dynamics (MD) simulations are performed to determine the equilibrium structures of… read more here.
Keywords: symmetric tilt; tilt grain; grain boundaries; deformation ... See more keywords
Multiscale analyses of the interaction between dislocation and Σ9 symmetric tilt grain boundaries in Fe–Si bicrystals by nanoindentation technique
Sign Up to like & getrecommendations! Published in 2021 at "International Journal of Plasticity"
DOI: 10.1016/j.ijplas.2021.103047
Abstract: Abstract Dislocation–grain boundary (GB) interaction plays a crucial role in the strengthening mechanism of polycrystalline metals. In this study, we evaluated the interaction between dislocation and two types of Σ9 symmetric tilt GBs using combined… read more here.
Keywords: nanoindentation; symmetric tilt; dislocation; interaction dislocation ... See more keywords
Partitioning of Interstitial Segregants during Decohesion: A DFT Case Study of the Σ3 Symmetric Tilt Grain Boundary in Ferritic Steel
Sign Up to like & getrecommendations! Published in 2019 at "Materials"
DOI: 10.3390/ma12182971
Abstract: The effect of hydrogen atoms at grain boundaries in metals is usually detrimental to the cohesion of the interface. This effect can be quantified in terms of the strengthening energy, which is obtained following the… read more here.
Keywords: grain boundary; symmetric tilt; effect; cohesion ... See more keywords