相关论文: Oxygen-covered tungsten crystal shape: time effect…

Equilibrium crystal shape of oxygen-covered tungsten is followed as a function of temperature using field ion microscopy. In the vicinity of the (111) region, at the temperature $970\pm70$ K, the system undergoes a phase transition from a…

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)…

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…

The finite size and interface effects on equilibrium crystal shape (ECS) have been investigated for the case of a surface free energy density including step stiffness and inverse-square step-step interactions. Explicitly including the…

Electrons in condensed matter have internal degrees of freedom, such as charge, spin and orbital, leading to various forms of ordered states through phase transitions. However, in individual materials, a charge/spin/orbital ordered state of…

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…

Equation of state (EOS) for bcc tungsten at 300 K (or 3000 K) up to 1000 GPa (or 300 GPa) was predicted for the first time by solving the partition function via a direct integral approach (DIA) with ab initio calculations of the atoms'…

Polycrystalline CuMo$_{1-x}$W$_x$O$_4$ solid solutions were studied by resonant X-ray emission spectroscopy (RXES) at the W L$_3$-edge to follow a variation of the tungsten local atomic and electronic structures across thermochromic phase…

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…

The phase diagram of oxygen is investigated for pressures from 50 to 130~GPa and temperatures up 1200 K using first principles theory. A metallic molecular structure with the $P6_3/mmc$ symmetry ($\eta^{'}$ phase) is determined to be…

This paper describes the use of a high-stability quartz-crystal microbalance (QCM) to measure the mass of a gas absorbed on and in the metal electrode on the quartz oscillator, when the gas pressure is low and the gas can be considered as…

The structure of the Cu(110) surface is studied at high temperatures using a combination of lattice-gas Monte Carlo and molecular dynamics methods with identical many-atom interactions derived from the effective medium theory. The…

We combine two first-principles computer simulation techniques, path integral Monte-Carlo and density functional theory molecular dynamics, to determine the equation of state of magnesium oxide in the regime of warm dense matter, with…

We use molecular dynamics simulations to study the melting of gold icosahedral clusters of a few thousand atoms. We pay particular attention to the behavior of surface atoms, and to the equilibrium shape of the cluster. We find that…

Tungsten, a plasma-facing material for future fusion reactors, may be exposed to air during abnormal operation or accidents. Only limited information is available on the evolution of related oxide phases. This work addresses the effect of…

Single crystals of K$_x$Fe$_{2-y}$Se$_2$ are prepared by quenching at various temperatures. The crystals obtained at higher quenching temperatures have a surface morphology with mesh-like texture. They show a sharp superconducting…

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…

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…

Analysis of kinetic literature suggests several electronic rearrangements above 600K involving O- (subperoxides) in YBa2Cu3Oy. Slow cooling to 260K produces a Tc=50K level with conventional plane and cell volume contracted varieties (P-V-),…

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…