Atomistic insight into the dopant impacts at the garnet Li₇La₃Zr₂O₁₂ solid electrolyte grain boundaries

Solid-state wetting transitions at grain boundaries

A previously developed model of the dependence of grain boundary (GB) segregation on GB character has been exercised to investigate solid-state wetting transitions at GBs, and their anisotropy. In the case of binary systems displaying a solid-state miscibility gap, it is shown that the wetting transition temperature for precipitates at a GB is anisotropic, and is inversely related to GB energy....

Investigating dopant diffusion enhancement at grain boundaries in multicrystalline silicon wafers with micro-photoluminescence spectroscopy

Mitophagy: New Insight into the Cardiovascular Aging  

asymmetric tilt grain boundaries in fcc metals by atomistic simulations

The shear response of the 3 [1̄ 1 0]-tilt (1̄ 1̄ 5)/(1 1 1) and 9 [1̄ 1 0]-tilt (1 1 5)/(1 1 1) asymmetric tilt grain boundaries (GBs) in fcc metals Cu and Al has been studied by atomistic simulation methods with the embedded atom method interatomic potentials and with a bicrystal model. It is found that the structure of the GBs studied can be well described by the coincidence site lattice (CSL) th...

Hydrogen embrittlement of grain boundaries in nickel: an atomistic study

The chemomechanical degradation of metals by hydrogen is widely observed, but not clearly understood at the atomic scale. Here we report an atomistic study of hydrogen embrittlement of grain boundaries in nickel. All the possible interstitial hydrogen sites at a given grain boundary are identified by a powerful geometrical approach of division of grain boundary via polyhedral packing units of a...