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We present a clear and rigorous derivation of the Ewald-like method for calculation of the electrostatic energy of the systems infinitely periodic in two-dimensions and of finite size in the third dimension (slabs) which is significantly…
Earth's surface environment is largely influenced by its budget of major volatile elements: carbon (C), nitrogen (N), and hydrogen (H). Although the volatiles on Earth are thought to have been delivered by chondritic materials, the…
A complete knowledge of absolute surface energies with any arbitrary crystal orientation is important for the improvements of semiconductor devices because it determines the equilibrium and nonequilibrium crystal shapes of thin films and…
Interest in substitutional disordered alloys has recently reemerged with focus on the symmetry-sensitive properties in the alloy such as topological insulation and Rashba effect. A substitutional random alloy manifests a distribution of…
Cell blebs are protrusions of the cell membrane and can be instrumental for cell migration. We derive a continuum model for the mechanical and geometrical aspects of the onset of blebbing in terms of a force balance. It is abstract and…
We develop an energy-landscape based elasto-plastic model to understand the behaviour of amorphous solids under uniform and cyclic shear. Amorphous solids are modeled as being composed of mesoscopic sub-volumes, each of which may occupy…
We enumerate all minimal energy packings (MEPs) for small single linear and ring polymers composed of spherical monomers with contact attractions and hard-core repulsions, and compare them to corresponding results for monomer packings. We…
Bootstrap embedding (BE) is a recently developed electronic structure method that has shown great success at treating electron correlation in molecules. Here, we extend BE to treat surfaces and solids where the wave function is represented…
The volume and surface components of the nuclear symmetry energy (NSE) and their ratio are calculated within the coherent density fluctuation model (CDFM). The estimations use the results of the model for the NSE in finite nuclei based on…
The extended boundary condition method can be formulated to study plane-wave scattering by an ellipsoid composed of an orthorhombic dielectric-magnetic material whose relative permittivity dyadic is a scalar multiple of its relative…
We propose a model for interpreting highly variable ion composition ratios in solar energetic particles (SEP) events recently observed by Parker Solar Probe (PSP) at $0.3 - 0.45$ astronomical unit. We use numerical simulations to calculate…
We report that calculating the Gibbs free energy of the alpha-Al_2O_3 (0001) surfaces in equilibrium with a realistic environment containing both oxygen and hydrogen species is essential for obtaining theoretical predictions consistent with…
Studying the albedos of the planets and moons of the Solar System dates back at least a century. Of particular interest is the relationship between the albedo measured at superior conjunction, known as the ``geometric albedo", and the…
The Sudden Approximation is applied to invert structural data on randomly corrugated surfaces from inert atom scattering intensities. Several expressions relating experimental observables to surface statistical features are derived. The…
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…
We study the correlation between the thickness of the neutron skin in finite nuclei and the nuclear symmetry energy for isotopic chains of even-even Ni, Sn, and Pb nuclei in the framework of the deformed self-consistent mean-field Skyrme…
The effect of temperature modes and heating rates (Vh) on the shrinkage kinetics of submicron and fine aluminum oxide powders has been studied. The objects of research comprised (i) submicron alfa-Al2O3 powder, (ii) submicron alfa-Al2O3…
In our recent works, we used a nearest-neighbor broken bond (NNBB) model to fit the surface energy of Pt, Pd, and Au surfaces [Adv. Theory Simul. 1800127 (2018)]. It was verified that this model could describe the surface energies of above…
It is known that binding energies calculated from the Bethe-Salpeter equation in ladder approximation can be reasonably well accounted for by an energy-dependent interaction, at least for the lowest states. It is also known that none of…
In [1], two of the present authors along with P. Raman attempted to extend the Amplituhedron program for scalar field theories [2] to quartic scalar interactions. In this paper we develop various aspects of this proposal. Using recent…