相关论文: Nanoscale Equilibrium Crystal Shapes
Crystal morphologies are important for the design and functionality of devices based on low-dimensional nanomaterials. The equilibrium crystal shape (ECS) is a key quantity in this context. It is determined by surface energies, which are…
We examine the shape of a an isolated, dislocation-free ice crystal when it is in equilibrium with the vapor phase in an isothermal closed environment, as a function of temperature. From our analysis we draw the following conclusions: 1)…
This chapter discusses the equilibrium crystal shape (ECS) from a physical perspective, beginning with a historical introduction to the Wulff theorem. It takes advantage of excellent prior reviews, particularly in the late 1980's, recapping…
Surface energies for different GaAs surface orientations have been calculated as a function of the chemical potential. We use an energy density formalism within the first-principles pseudopotential density-functional approach. The…
A mean field theory is developed for the calculation of the surface free energy of the staggered BCSOS, (or six vertex) model as function of the surface orientation and of temperature. The model approximately describes surfaces of crystals…
Below the roughening temperature, the equilibrium crystal shape (ECS) is composed of both facets and a smoothly curved surface. As for the ``normal'' profile (perpendicular to the facet contour), the ECS has the exponent 3/2 which is…
The relaxation of axisymmetric crystal surfaces with a single facet below the roughening transition is studied via a continuum approach that accounts for step energy g_1 and step-step interaction energy g_3>0. For diffusion-limited…
The anisotropic surface free energy, Andreev surface free energy, and equilibrium crystal shape (ECS) z=z(x,y) are calculated numerically using a transfer matrix approach with the density matrix renormalization group (DMRG) method. The…
The equilibrium crystal shape (ECS) of oxygen-covered tungsten micricrystal is studied as a function of temperature. The specially designed ultrafast crystal quenching setup with the cooling rate of 6000 K/s allows to draw conclusions about…
A fluid in equilibrium in a finite volume $V$ with particle number $N$ at a density $\rho = N/V$ exceeding the onset density $\rho_f $ of freezing may exhibit phase coexistence between a crystalline nucleus and surrounding fluid. Using a…
The shape of an equilibrium crystal is obtained, according to the Gibbs thermodynamic principle, by minimizing the total surface free energy associated to the crystal-medium interface. To study the solution to this problem, known as the…
We analyze the equilibrium states of quantum lattice model with local multi-well potentials for Sn$_2$P$_2$S$_6$ ferroelectric crystals using the mean and Gaussian curvatures ($H$, $K$), curvedness ($C$) and shape index ($S$). From the…
We analyse the finite-size corrections to the free energy of crystals with a fixed center of mass. When we explicitly correct for the leading ($\ln N/N$) corrections, the remaining free energy is found to depend linearly on 1/N.…
The equilibrium shape of crystals is a fundamental property of both aesthetic appeal and practical import. It is also a visible macro-manifestation of the underlying atomic-scale forces and chemical makeup, most conspicuous in…
We report the status of a high-statistics Monte Carlo simulation of non-self-avoiding crystalline surfaces with extrinsic curvature on lattices of size up to $128^2$ nodes. We impose free boundary conditions. The free energy is a gaussian…
Geometrical constructions, such as the tangent construction on the molar free energy for determining whether a particular composition of a solution, is stable, are related to similar tangent constructions on the orientation-dependent…
Surface energies and surface elasticity largely affect the mechanical response of nanostructures as well as the physical phenomenon associated with surfaces such as evaporation and adsorption. Studying surface energies at finite…
What are the mechanisms leading to the shape relaxation of three dimensional crystallites ? Kinetic Monte Carlo simulations of fcc clusters show that the usual theories of equilibration, via atomic surface diffusion driven by curvature, are…
A continuum theory is employed to numerically study the equilibrium orientation and defect structures of a circular cylindrical particle with flat ends under a homeotropic anchoring condition in a uniform nematic medium. Different aspect…
A generalised Wulf-Kaishew theorem is given describing the equilibrium shape (ES) of an isolated 3D crystal A deposited coherently onto a lattice mismatched planar substrate. For this purpose a free polyhedral crystal is formed then…