Related papers: Absolute surface energy determination
We investigate analytically the performance of many-body energy functionals, derived respectively by Klein and Luttinger and Ward, at different levels of diagrammatic approximations, ranging from second Born, to GW, to the so-called…
First-principles calculations are a cornerstone of modern surface science and heterogeneous catalysis. However, accurate reaction energies and barrier heights are frequently inaccessible due to the approximations demanded by the large…
The cosmological constant is estimated by considering the surface tension of supervoids in a void-dominated cosmic fluid by which we can get a possible source of dark energy. Looking at voids as bubbles, we define the concept of surface…
We carry out umbrella sampling Monte Carlo simulations to evaluate the free energy surface of the ST2 model of water as a function two order parameters, the density and a bond-orientational order parameter. We approximate the long-range…
The surface pattern formation on a gelation surface is analyzed using an effective surface roughness. The spontaneous surface deformation on DiMethylAcrylAmide (DMAA) gelation surface is controlled by temperature, initiator concentration,…
We present a detailed analysis of the free energy surface of a well characterized rigid model for water in supercooled states. We propose a functional form for the liquid free energy, supported by recent theoretical predictions [Y.…
We explore the pressure of active particles on curved surfaces and its relation to other interfacial properties. We use both direct simulations of the active systems as well as simulations of an equilibrium system with effective (pair)…
A convenient model for estimating the total entropy ({\Sigma}Si) of atmospheric gases based on physical action is proposed. This realistic approach is fully consistent with statistical mechanics, but uses the properties of translational,…
The cooling algorithm for saddle points presented in ref. [1] is generalized to obtain static classical solutions of the SU(2)-Higgs field theory in the limit of infinite Higgs self-coupling. The sphaleron energy obtained via this algorithm…
We propose a simple and efficient real-space approach for the calculation of the ground-state energies of Wigner crystals in 1, 2, and 3 dimensions. To be precise, we calculate the first two terms in the asymptotic expansion of the total…
The Phase-Field Method (PFM) is employed to simulate two-phase flows with the fully-coupled Cahn-Hilliard-Navier-Stokes (CHNS) equations governing the temporal evolution. The methodology minimizes the total energy functional, accounting for…
The advances in cold atom experiments have allowed construction of confining traps in the form of curved surfaces. This opens up the possibility of studying quantum gases in curved manifolds. On closed surfaces, many fundamental processes…
Closed-form, analytical approximations for electrostatic properties of molecules are of unique value, as these can provide computational speed, versatility, and physical insight. Here, we derive a simple, closed-form formula for the…
Surface tension and wetting are dominating physical effects in micro and nanoscale flows. We present an efficient and reliable model of surface tension and equilibrium contact angles in Smoothed Particle Hydrodynamics for free-surface…
In this study, we explore the precise physical quantities in the thermodynamic limit of the one-dimensional Hubbard model with nonparallel boundary magnetic fields based on the off-diagonal Bethe ansatz solution. A particular emphasis is…
In the framework of nuclear energy density functional (EDF) methods, many nuclear phenomena are related to the deformation of intrinsic states. Their accurate modeling relies on the correct description of the change of nuclear binding…
Three-dimensional mapping of surface structures is important in a wide range of biological, technological, healthcare and research applications, including taxonomy, microfluidics and fabrication. Neutral helium atom beams have been…
Exact calculations are performed on the two-dimensional strongly interacting, unpolarized, uniform Fermi gas with a zero-range attractive interaction. Two auxiliary-field approaches are employed which accelerate the sampling of…
The well-known "Sommerfeld radiation problem" of a small -Hertzian- vertical dipole above flat lossy ground is reconsidered. The problem is examined in the spectral domain, through which it is proved to yield relatively simple integral…
A novel approach for deriving the equation of state for a 2D lattice gas is proposed, based on arguments similar to those used in the derivation of the Langmuir-Szyszkowski equation of state for localized adsorption. The relationship…