Related papers: Absolute surface energy determination
We investigate connections between the continuum and atomistic descriptions of deformable crystals, using certain interesting results from number theory. The energy of a deformed crystal is calculated in the context of a lattice model with…
We prove a weighted a priori energy estimate for the two dimensional water-waves problem with contact points in the absence of gravity and surface tension. When the surface graph function and its time derivative have some decay near the…
We present a method for determining the free energy of coexisting states from irreversible work measurements. Our approach is based on a fluctuation relation that is valid for dissipative transformations in partially equilibrated systems.…
The self-energy $\Sigma({\bf k},\omega)$, the fundamental function which describes the effects of many-body interactions on an electron in a solid, is usually difficult to obtain directly from experimental data. In this paper, we show that…
A simple, efficient, and accurate method is proposed to map multi-dimensional free energy landscapes. The method combines the temperature-accelerated molecular dynamics (TAMD) proposed in [Maragliano & Vanden-Eijnden, Chem. Phys. Lett. 426,…
Studies in atomic-scale modeling of surface phase equilibria often focus on temperatures near zero Kelvin due to the challenges in calculating the free energy of surfaces at finite temperatures. The Bayesian-inference-based nested sampling…
In this work, we consider the three-dimensional solid-state dewetting with strongly anisotropic surface energy, assuming an axisymmetric morphology of the thin film. However, when surface energy exhibits strong anisotropy, certain…
Limited surface observations of turbulent heat fluxes result in incomplete knowledge about the surface energy balance that drives the climate system. Here, we developed a novel, purely physics-based analytical method grounded on the…
Analytical contact mechanics theories depend on surface roughness through the surface roughness power spectrum. In the present study, we evaluated the usability of various experimental methods for studying surface roughness. Our findings…
Heterostructures combining diverse physico-chemical properties are increasingly in demand for a wide range of applications in modern science and technology. However, despite their importance in materials science, accurately determining…
Recent developments in statistical mechanics have allowed the estimation of equilibrium free energies from the statistics of work measurements during processes that drive the system out of equilibrium. Here a different class of processes is…
For the evolution of a closed surface under anisotropic surface diffusion with a general anisotropic surface energy $\gamma(\boldsymbol{n})$ in three dimensions (3D), where $\boldsymbol{n}$ is the unit outward normal vector, by introducing…
Here, we quantitatively estimate the impact of the inevitable Si surface passivation prior to III-V/Si hetero-epitaxy on the surface energy of the Si initial substrate, and explore its consequences for the description of wetting properties.…
The potential energy surface (PES) of dissociative adsorption of H_2 on Pd(100) is investigated using density functional theory and the full-potential linear augmented plane wave (FP-LAPW) method. Several dissociation pathways are…
We present a simulation scheme to calculate defect formation free energies at a molecular crystal/water interface based on force-field molecular dynamics (MD) simulations. To this end we adopt and modify existing approaches to calculate…
The thermal evolution of the energies and free energies of a set of spherical and near-spherical nuclei spanning the whole periodic table are calculated in the subtracted finite-temperature Thomas- Fermi framework with the zero-range…
We study the scaling properties of self-flattening surfaces under global suppression on surface fluctuations. Evolution of self-flattening surfaces is described by restricted solid-on-solid type monomer deposition-evaporation model with…
We have considered a model of a small finite system with internal particles and surface degrees of freedom. All the main statistical distributions were explicitly obtained, on a pre thermodynamic limit basis. The concept of temperature or…
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 elastic deformation of a soft solid induced by capillary forces crucially relies on the excess stress inside the solid-liquid interface. While for a liquid-liquid interface this "surface stress" is strictly identical to the "surface…