WebJun 29, 2024 · GBs are normally considered as defects, with less ordered atomic arrangements compared to the region within the grains. These GB structures play an essential role in determining materials... WebJul 15, 2024 · In this study, novel insights into the contribution of grain boundary (GB) density on fire resistance is elucidated. We systematically analyzed the relationship between grain boundary density and fire resistance of 690 MPa ultra-heavy plate steel from the perspective of crystallography. The yield strength (YS) at elevated-temperature (ET) of ...
pymatgen.analysis.gb.grain module
WebJun 13, 2024 · Polycrystal ZnO material was studied, and three grain boundary (GB) models, namely, ZnO∑7()[0001]GB (GB1), 45° rotating GB(GB2) and ∑1()[]GB (GB3), were constructed. The GB barrier was found between two ZnO grains by calculating the I-V curves of GB and analysing the electrostatic potential, which resulted in NL improvement … WebApr 18, 2024 · Grain boundaries (GBs) have been studied for decades, but it remains a challenging task to describe characteristic GB properties by simple structural descriptors, especially at the local atomic level. In this paper, we use the atomic descriptor based on the smooth overlap of atomic positions (SOAP) to study the atomic energy at GBs by using ... building fireplace hearth
Grain boundary stability governs hardening and softening in ... - Science
WebJun 18, 2024 · Agrain boundary (GB) loop in a 2D crystal is a GB that closes onto itself. It thereby encloses a patch of crystal rotated with respect to the outer crystal by an angle called the misorientation (1–3).The disruption of crystalline order at a GB is marked by the presence of crystalline defects called dislocations along the GB line (), so that a GB loop … WebJul 1, 2011 · A dislocation-density grain–boundary (GB) interaction scheme for face-centered cubic bicrystals with three coincident site lattice boundaries was developed to account for the interrelated dislocation-density interactions of GB emission, absorption, and transmission. The proposed GB scheme was coupled to a dislocation-density multiple … WebJan 27, 2024 · Grain boundaries (GBs) can serve as effective sinks for radiation-induced defects, thus notably influencing the service performance of materials. However, the effect of GB structures on the zero-dimensional defects induced by … building fireplace doors