Related papers: Twin-Boundary Structural Phase Transitions in Elem…
We derive a theory that describes homogeneous nucleation of grain boundary (GB) phases. Our analysis takes account of the energy resulting from the GB phase junction, the line defect separating two different GB structures, which is…
The growing trend towards engineering interfacial complexion (or phase) transitions has been seen in the grain boundary and solid surface systems.Meanwhile, little attention has been paid to the chemically heterogeneous solid/liquid…
Twin boundaries (TBs) are assumed to be obstacles to dislocation motion and increase the strength of metals. Here, we report the abnormal phenomenon that TBs reduce the strength of body-centered cubic (BCC) tungsten (W). [1-11]-oriented W…
A binary colloidal mixture of unequal sizes, subjected to an external potential barrier, has been investigated using canonical ensemble molecular dynamics simulations. The attractive depletion interaction between the external barrier and…
The impact of twin boundaries (TBs) on the microstructure evolution and plastic deformation mechanisms of face-centered cubic (FCC) metals has been extensively studied since the discovery that nanotwinned materials exhibit a favorable…
Phase separation in binary mixtures in the presence of Janus particles has been studied in terms of a Cahn-Hilliard model coupled to the Langevin equations describing the particle dynamics. We demonstrate that the phase separation process…
It is well-known that in two dimensions Turing systems produce spots, stripes and labyrinthine patterns, and in three dimensions lamellar and spherical structures or their combinations are observed. We study transitions between these states…
Transition metal dichalcogenides (TMDs) are a branch of two-dimensional materials which in addition to having an easy-to-exfoliate layered structure, also host semiconducting, metallic, superconducting, and topological properties in various…
Numerous geological features that could be evaporitic in origin have been identified on the surface of Titan. Although they seem to be water-ice poor, their main properties -chemical composition, thickness, stratification- are essentially…
We study various manifestations of structural crossover in the properties of a binary mixture of hard-spheres. For homogeneous mixtures that are sufficiently asymmetric, there is a crossover line in the phase diagram such that for…
Although Niobium is a well characterized material it still shows some anomalies that are not yet understood. Therefore we revisit its metastable phases using density functional theory. First, we systematically compare energies and ground…
Two-dimensional (2D) transition metal dichalcogenides (TMDs) are promising platforms for low dimensional superconductivity. However, in conventional intercalated systems, achieving a high superconducting transition temperature (Tc) often…
We study a Ginzburg-Landau model of structural phase transition in two dimensions, in which a single order parameter is coupled to the tetragonal and dilational strains. Such elastic coupling terms in the free energy much affect the phase…
Amorphous complexions have recently been demonstrated to simultaneously enhance the ductility and stability of certain nanocrystalline alloys. In this study, three quinary alloys (Cu-Zr-Hf-Mo-Nb, Cu-Zr-Hf-Nb-Ti, and Cu-Zr-Hf-Mo-W) are…
Grain boundaries (GBs) strongly influence thermal transport in crystalline solids by disrupting lattice periodicity and scattering phonons. Due to the atomic-level disorder and structural complexity, a fundamental understanding of how…
We present the results of first-principles calculations of selected structural and thermodynamic properties of a set of grain boundaries (GBs) in zirconium, spanning a range of misorientation angles and boundary planes. We performed…
As structural and functional materials, topologically close-packed (TCP) phases of transition metal compounds offer a wide range of attractive properties. Due to their complex crystal structure and the resulting brittleness, the knowledge…
Understanding the grain boundary deformation dynamics is very crucial to designing materials with stable microstructures. With this quest, the deformation behavior of coherent twin boundary under cyclic shear loading has been studied in…
Deformation twinning is an important deformation mechanism in a variety of materials, including metals and ceramics. This deformation mechanism is particularly important in low-symmetry hexagonal close-packed (hcp) metals such as Magnesium…
Quest for a new form of matter inside compact stars compels us to examine the thermodynamical properties of the phase transitions. We closely consider the first-order phase transitions and the phase equilibrium on the basis of the Gibbs…