Related papers: Microstructure, grain boundary evolution and aniso…
This paper studies how solute segregation and its relationship to grain boundary energy in binary alloys is captured in the phase field crystal (PFC) formalism, a continuum method that incorporates atomic scale elasto-plastic effects on…
The discovery of topological phases has introduced a new dimension to materials science. Three-dimensional (3D) topological insulators (TIs) are a remarkable class of matter that is insulating in the bulk while hosting conductive…
Grain boundaries (GBs) and interfaces in polycrystalline materials are significant research subjects in the field of materials science. Despite a more than 50-year history of their study, there are still many open questions. The main…
Sb thin films have attracted wide interests due to their tunable band structure, topological phases, and remarkable electronic properties. We successfully grow epitaxial Sb thin films on a closely lattice-matched GaSb(001) surface by…
In this paper we consider thin films of AB block copolymer melts confined between two parallel plates. The plates are identical and may have a preference for one of the monomer types over the other. The system is characterized by four…
Structural, cohesive, and magnetic properties of two symmetric $\Sigma3(111)$ and $\Sigma5(210)$ tilt grain boundaries (GBs) in pure bcc Fe and in dilute FeCr alloys are studied from first principles. Different concentration and position of…
Heteroepitaxial structures based on Bi$_{2}$Te$_{3}$-type topological insulators (TIs) exhibit exotic quantum phenomena. For optimal characterization of these phenomena, it is desirable to control the interface structure during film growth…
While it is known that alloy components can segregate to grain boundaries (GBs), and that the atomic mobility in GBs greatly exceeds the atomic mobility in the lattice, little is known about the effect of GB segregation on GB diffusion.…
Advanced nanodevices require high-precision machining of thin films using ultrafast lasers. However, thin-film fabrications cause variations in microstructure, crystallographic orientation, and residual stresses owing to coating conditions…
We have investigated the correlation between structural and transport properties in sputtered $\beta$-FeSe films grown onto SrTiO$_3$ (100). The growth parameters, such as substrate temperature and thickness, have been varied in order to…
Chromium depletion at grain boundaries (GBs) due to selective attack is a critical issue in the molten salt corrosion of NiCr alloys. Despite the importance of GBs in this process from numerous experimental studies, most theoretical work…
For potentially wider applications of ceramics with dislocation-tuned mechanical and functional properties, it is pertinent to achieve dislocation engineering in polycrystalline ceramics. However, grain boundaries (GBs) in general are…
Controlling grain orientations within polycrystalline all-inorganic halide perovskite solar cells can help increase conversion efficiencies toward their thermodynamic limits, however the forces governing texture formation are ambiguous.…
We report on the growth of NdFeAs(O,F) thin films on [001]-tilt MgO bicrystal substrates with misorientation angle theta_GB=6{\deg}, 12{\deg}, 24{\deg} and 45{\deg}, and their inter- and intra-grain transport properties. X-ray diffraction…
Previous research focused on two different mechanisms of microstructure stabilization in alloys: thermodynamic stabilization by reducing the grain boundary (GB) free energy and kinetic stabilization by suppressing the GB mobility by solute…
Among the magnetostrictive alloys the one formed of iron and gallium (called "Galfenol" from its U.S. Office of Naval Research discoverers in the late 90's) is attractive for its low hysteresis, good tensile stress, good machinability and…
Grain boundaries have been shown to dramatically influence the behavior of relatively simple materials such as monatomic metals and binary alloys. The increased chemical complexity associated with multi-principal element alloys is…
We present a comprehensive study of the crystal structure of the thin-film, ferromagnetic topological insulator (Bi, Sb)$_{2-x}$V$_x$Te$_3$. The dissipationless quantum anomalous Hall edge states it manifests are of particular interest for…
We study the interfacial thermal conductance of grain boundaries (GBs) between monolayer graphene and hexagonal boron nitride (h-BN) sheets using a combined atomistic approach. First, realistic samples containing graphene/h-BN GBs with…
Grain boundaries (GBs) can be used as traps for solute atoms and defects, and the interaction between segregants and GBs is crucial for understanding the properties of nanocrystalline materials. In this study, we have systematically…