相关论文: Comparison between classical potentials and ab ini…
Silica nanoparticles trapped at air-water interface form a 2D solid state with amorphous order. We propose a theoretical model to describe how this solid-like state deforms under a shear strain ramp up to and beyond a yielding point which…
Harnessing fluidic instabilities to produce structures with robust and regular properties has recently emerged as a new fabrication paradigm. This is exemplified in the work of Gumennik et al. [Nat. Comm. 4:2216, DOI: 10.1038/ncomms3216,…
Three types of thick branes, i.e., Poincar\'{e}, de Sitter and Anti-de Sitter brane are considered. They are realized as the non-singular solutions of the Einstein equations with the non-trivial dilatons and the potentials. The scalar…
The projection of the eigenfunctions obtained in standard plane-wave first-principle calculations is used for analyzing atomic-orbital basis sets. The "spilling" defining the error in such a projection allows the evaluation of the quality…
The ideal strength is crucial for predicting material behavior under extreme conditions, which can provide insights into material limits, guide design and engineer for enhanced performance and durability. In this work, we present a method…
An appropriateness of a space asymmetry of shape invariant potentials with scaling of parameters and potentials of Shabat and Spiridonov in calculation of their forms, wave functions and discrete energy spectra has proved and has…
We consider the Schrodinger equation with an external potential and a cubic nonlinearity, in the semiclassical limit. The initial data are sums of WKB states, with smooth phases and smooth, compactly supported initial amplitudes, with…
Highly accurate experimental structure factors of silicon are available in the literature, and these provide the ideal test for any \emph{ab initio} method for the construction of the all-electron charge density. In a recent paper [J. R.…
A seemingly anomalous enhancement of electron mobility in strained silicon inversion layers at high sheet densities has exposed a conspicuous gap between device physics theory and experiment in recent years. We show that the root of this…
Second-order optimization methods have desirable convergence properties. However, the exact Newton method requires expensive computation for the Hessian and its inverse. In this paper, we propose SPAN, a novel approximate and fast Newton…
The deformation of an elastic micro-capsule in an infinite shear flow is studied numerically using a spectral method. The shape of the capsule and the hydrodynamic flow field are expanded into smooth basis functions. Analytic expressions…
Based on realistic simulations, we propose an hybrid method to reconstruct the lensing potential power spectrum, directly on PLANCK-like CMB frequency maps. It implies using a large galactic mask and dealing with a strong inhomogeneous…
Incomplete LU (ILU) smoothers are effective in the algebraic multigrid (AMG) $V$-cycle for reducing high-frequency components of the error. However, the requisite direct triangular solves are comparatively slow on GPUs. Previous work has…
Twisted layered van-der-Waals materials often exhibit unique electronic and optical properties absent in their non-twisted counterparts. Unfortunately, predicting such properties is hindered by the difficulty in determining the atomic…
This work proposes a new efficient approach for calculating the bending stiffness of two-dimensional materials using simple atomistic tests on small periodic unit cells. The tests are designed such that bending deformations are dominating…
A simple formula is derived for the maximum squeezing rate which occurs at the initial stages of the squeezing process: the rate only depends on the second partial derivatives of a classical Hamiltonian. Rules for optimum rotation of the…
We assess the possibility of shear banding of semidilute rod-like colloidal suspensions under steady shear ow very close to the isotropic-nematic spinodal, using a combination of rheology, small angle neutron scattering, and laser Doppler…
We consider semiclassically scaled Schrodinger equations with an external potential and a highly oscillatory periodic potential. We construct asymptotic solutions in the form of semiclassical wave packets. These solutions are concentrated…
An atomistic model based on the Keating potential and the conjugate gradient method are used for simulation of the strain fields for single Ge/Si quantum dots. Calculations are performed in the cluster approximation using clusters…
We consider a disk-shaped thin elastic sheet bonded to a compliant sphere. (Our sheet can slip along the sphere; the bonding controls only its normal displacement.) If the bonding is stiff (but not too stiff), the geometry of the sphere…