Related papers: Metastability relationship between two- and three-…
In this paper, we study the structurally nonlinear stability of supersonic contact discontinuities in three-dimensional compressible isentropic steady flows. Based on the weakly linear stability result and the $L^2$-estimates obtained by…
By means of density-functional calculations, we systematically investigated 24 transition metals for possible metastable phases in body-centered tetragonal structure (bct), including face-centered cubic (fcc) and body-centered cubic (bcc)…
In this paper, we propose a novel design and fabrication strategy to produce architected core structures for use as the core in composite sandwich structures. A traditional foam core or honeycomb structure is lightweight and stiff, but…
We study the statics and the dynamics of domain patterns in proper hexagonal-orthorhombic ferroelastics; these patterns are of particular interest because they provide a rare physical realization of disclinations in crystals. Both our…
The phase stability of the various crystalline structures of the super-heavy element Copernicium was determined based on the first-principles calculations with different levels of the relativistic effects. We utilized the Darwin term,…
The individual building blocks of van der Waals (vdW) heterostructures host fascinating physical phenomena, ranging from ballistic electron transport in graphene to striking optical properties of MoSe2 sheets. The presence of bonded and…
In intuitive physics the process of stacking cubes has become a paradigmatic, canonical task. Even though it gets employed in various shades and complexities, the very fundamental setting with two cubes has not been thoroughly investigated.…
The stability of atomic intercalated carbon $K_{4}$ crystals, XC$_{2}$ (X=H, Li, Be, B, C, N, O, F, Na, Mg, Al, Si, P, S, Cl, K, Ca, Ga, Ge, As, Se, Br, Rb or Sr) is evaluated by geometry optimization and frozen phonon analysis based on…
In this work we analyze the stability and convergence properties of a loosely-coupled scheme, called the kinematically coupled scheme, and its extensions for the interaction between an incompressible, viscous fluid and a thin, elastic…
The dimensionality of a correlated many-body system has a large impact on its electronic properties. When electrons are confined to one-dimensional chains of atoms their behavior is very different than in higher dimensional systems because…
In this letter, we investigate the stable and commensurate van der Waals heterostructures of metallic and semiconducting $1H$ transition-metal dichalcogenides, NbS$_2$ and MoSe$_2$ (WSe$_2$), which possess almost the same lattice constant…
We study nematic configurations within three-dimensional (3D) cuboids, with planar degenerate boundary conditions on the cuboid faces, in the Landau-de Gennes framework. There are two geometry-dependent variables: the edge length of the…
The alkali halides, known as ionic crystals, have the NaCl-type or CsCl-type structure as the ground state. We study the structural, vibrational, and electronic properties of two-dimensional (2D) ionic crystals from first-principles. Two…
X-shaped liquid crystalline molecules (XLCMs) are obtained by tethering two flexible end A-blocks and two flexible side B-blocks to a rigid backbone (R). A rich array of ordered structures can be formed from XLCMs, driven by the competition…
We have compared the ground-state energy of several observed or proposed " 2 \sqrt{2} x 2 \sqrt{2} oxygen (O) ordered superstructures " (from now on HS), with those of "chain superstructures" (CS) (in which the O atoms of the basal plane…
Surface oxidation processes are crucial for the functionality of Cu-based catalytic systems used for methanol synthesis, partial oxidation of methanol or the water-gas shift reaction. We assess the stability and population of the…
Hard-core/soft shell (HCSS) particles have been shown to self-assemble into a remarkably rich variety of structures under compression due to the simple interplay between the hard-core and soft-shoulder length scales in their interactions.…
A periodic structure sandwiched between two homogeneous media can support bound states in the continuum (BICs) that are valuable for many applications. It is known that generic BICs in periodic structures with an up-down mirror symmetry and…
Cohesion mechanism of cubic approximant crystals of newly discovered binary quasicrystals, Cd$_6$M (M=Yb and Ca), are studied theoretically. It is found that stabilization due to alloying is obtained if M is an element with low-lying…
The synthesis, structure, and basic magnetic properties of Na2Co2TeO6 and Na3Co2SbO6 are reported. The crystal structures were determined by neutron powder diffraction. Na2Co2TeO6 has a two-layer hexagonal structure (space group P6322)…