相关论文: Stacking faults and the {\gamma}-surface on {1-101…
The role of a simple surface defect, such as a step, for relaxing the stress applied to a semiconductor, has been investigated by means of large scale first principles calculations. Our results indicate that the step is the privileged site…
We clarify via molecular dynamic simulations and theoretical analysis the origin of dislocation creation and void nucleation during uniaxial tensile process in face-centered-cubic (FCC) ductile metals. We show that the dislocations are…
A discrete-to-continuum analysis for free-boundary problems related to crystalline films deposited on substrates is performed by $\Gamma$-convergence. The discrete model here introduced is characterized by an energy with two contributions,…
Quasicrystals (QCs) are a class of aperiodic ordered structures that emerge in various systems, from metallic alloys to soft matter and driven non-equilibrium systems. Within a mesoscale theory based on slowly-varying complex amplitudes for…
We show a stability-type theorem for foliations on projective spaces which arise as pullbacks of foliations with a split tangent sheaf on weighted projective spaces. As a consequence, we will be able to construct many irreducible components…
We study the fluctuations of particles sliding on a stochastically growing surface. This problem can be mapped to motion of passive scalars in a randomly stirred Burger's flow. Renormalization group studies, simulations, and scaling…
Using molecular dynamics simulation, we investigate the dynamics of stacking faults in fcc crystals in uniaxial stretching in a Lennard-Jones binary mixture composed of 4096 particles in three dimensions. We visualize stacking faults using…
Interfaces between stratified epithelia and their supporting stromas commonly exhibit irregular shapes. Undulations are particularly pronounced in dysplastic tissues and typically evolve into long, finger-like protrusions in carcinomas. In…
In this work, we consider the singular set in the thin obstacle problem with weight $|x_{n+1}|^a$ for $a\in (-1, 1)$, which arises as the local extension of the obstacle problem for the fractional Laplacian (a non-local problem). We develop…
We propose a theoretical framework to predict the deformation mechanism of the {\gamma}-TiAl single crystal without lattice defects by combining the generalized stacking fault energy and the Schmid factor. Our theory is validated against an…
A physically-informed continuum crystal plasticity model is presented to elucidate the deformation mechanisms and dislocation evolution in body-centered-cubic (bcc) tantalum widely used as a key structural material for mechanical and…
Plastic deformation, at all strain rates, is accommodated by the collective motion of crystalline defects known as dislocations. Here, we extend an analysis for the energetic stability of a straight dislocation, the so-called line tension…
Motivated by the redrawing of hot glass into thin sheets, we investigate the shape and stability of a thin viscous sheet that is inhomogeneously stretched in an imposed non-uniform temperature field. We first determine the associated base…
We study the effect of stacking faults on the topological properties of the magnetic topological insulator MnBi$_{2}$Te$_{4}$ (MBT) using density functional theory calculations and the Hubbard $U$ being tuned with many-body diffusion Monte…
Slip transmission across $\alpha-\beta$ interfaces is of great significance in understanding the strength of $\alpha-\beta$ Ti alloys for aerospace applications. Molecular statics (MS) and molecular dynamics (MD) simulations were conducted…
We show that two graphene layers stacked directly on top of each other (AA stacking) form strong chemical bonds when the distance between planes is 0.156 nm. Simultaneously, C-C in-plane bonds are considerably weakened from partial…
We study stable surfaces, i.e., second order minima of the area for variations of fixed volume, in sub-Riemannian space forms of dimension $3$. We prove a stability inequality and provide sufficient conditions ensuring instability of…
Hexagonal close-packed (hcp) titanium exhibits a complex temperature-dependent mechanical response that is central to its use in structural applications. We employ large-scale molecular dynamics simulations to investigate the…
The filamentation instability driven by two spatially uniform and counter-streaming beams of charged particles in plasmas is modelled by a particle-in-cell (PIC) simulation. Each beam consists of the electrons and positrons. The four…
Staircase formation and layering is studied in simplified, potential vorticity conserving models of plasmas and geophysical fluids, by investigating turbulent self-organisation and nonlinear saturation with different mechanisms of free…