Related papers: Bent surface free energy differences from simulati…
{\em Ab initio} techniques based on density functional theory in the projector-augmented-wave implementation are used to calculate the free energy and a range of other thermodynamic properties of liquid iron at high pressures and…
Surface effects on the electronic energy loss of charged particles entering a metal surface are investigated within linear-response theory, in the framework of time-dependent density functional theory. Interesting phenomena occur in the…
We consider membranes adhered through specific receptor-ligand bonds. Thermal undulations of the membrane induce effective interactions between adhesion sites. We derive an upper bound to the free energy that is independent of interaction…
Inspired by the recent development on calculating the free energy change via a relaxation process [Nat. Phys. 14, 842 (2018)], we investigate the role of heat released in an irreversible relaxation following a large perturbation. Utilizing…
In this article, we propose a mathematical model which explains the formation of strong bonds during the relaxation process of a soft solid on a hard surface. As a result, the soft solid relaxes to a non zero residual stress level. The…
The melting curve of aluminium has been determined from 0 to ~150 GPa using first principles calculations of the free energies of both the solid and liquid. The calculations are based on density functional theory within the generalised…
This article investigates stationary surfaces with boundaries, which arise as the critical points of functionals dependent on curvature. Precisely, a generalized "bending energy" functional $\mathcal{W}$ is considered which involves a…
Strain relaxations of a p(1x2) ordered oxygen layer on W(110) are measured as a function of temperature across the disordering transition using low-energy electron diffraction. The measured strains approach values of 0.027 in the [1-10] and…
Classical soil mechanics results are used to propose the equation of the jamming transition surface in the (stress, specific volume) space. Taking axis-ymmetric conditions, labelling q the deviatoric stress and p' the mean pressure applied…
We used the atomic force microscope to manipulate and unfold individual molecules of the titin I27 domain and reconstructed its free energy surface using Jarzynski's equality. The free energy surface for both stretching and unfolding was…
The energy budget and dissipation mechanisms during droplet impact on solid surfaces are studied numerically and theoretically. We find that for high impact velocities and negligible surface friction at the solid surface (i.e. free-slip),…
The thickness $W$ and the surface energy $\sigma_A$ at the free interface of superfluid $^4$He are studied. Results of calculations carried out by using density functionals for cylindrical and spherical systems are presented in a unified…
According to flexure theory of plate, on the premise of plane deformation assumption, an analytic model of U-free bend theory is proposed in this paper, which considered the harden, anisotropy and elastic deformation of material. Then the…
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…
The thermodynamics and mechanics of the surface of a deformable body are studied here, following and refining the general approach of Gibbs. It is first shown that the 'local' thermodynamic variables of the state of the surface are only the…
Atomistic simulations are employed to demonstrate the existence of a well-defined thermodynamic phase transformation between grain boundary (GB) phases with different atomic structures. The free energy of different interface structures for…
We present a modified model based on shear rate and aging time dependent static friction between a soft solid such as gelatin hydrogel and a hard surface for instance glass surface. Earlier the model for static friction (Juvekar and Singh,…
Classical descriptions of flapping propulsion near a free surface emphasize the energetic penalties of wave generation, treating the interface primarily as an energy sink. Here, we show that the same deformable boundary can also act as a…
The wetting of solid surfaces by fluids is a problem of great practical importance that has been extensively studied over the years. Most often, the experimental work has involved measurements of the contact angle made by a liquid on the…
A new method has been proposed to evaluate the frictional force in the stationary state. This method is applied to the 1-dimensional model of clean surfaces. The kinetic frictional force is seen to depend on velocity in general, but the…