Related papers: Contribution of shears on vibrational entropy
We present a priori and a posteriori error analysis of a Virtual Element Method (VEM) to approximate the vibration frequencies and modes of an elastic solid. We analyze a variational formulation relying only on the solid displacement and…
We have used tight-binding molecular-dynamics simulations to investigate the role of point defects (vacancies and interstitials) on structural relaxation in amorphous silicon. Our calculations give unambiguous evidence that point defects…
A method for the calculation of elastic constants in the NVT ensamble, using molecular dynamics (MD) simulation with a realistic many-body embedded-atom-model (EAM) potential, is studied in detail. It is shown that in such NVT MD…
Ultrasound shear wave elasticity imaging is a valuable tool for quantifying the elastic properties of tissue. Typically, the shear wave velocity is derived and mapped to an elasticity value, which neglects information such as the shape of…
We present simulations of the dynamic and temperature dependent behavior of Micro-Electro-Mechanical Systems (MEMS) by utilizing recently developed parallel codes which enable a coupling of length scales. The novel techniques used in this…
Mechanical shear deformations lead, in some cases, to effects similar to those resulting from ion irradiation. Here we characterize the effects of shear velocity and temperature on amorphous silicon (\aSi) modelled using classical molecular…
In amorphous materials, plasticity is localized and occurs as shear transformations. It was recently shown by Wu et al. that these shear transformations can be predicted by applying topological defect concepts developed for liquid crystals…
The precise theoretical determination of the geometrical parameters of molecules at the minima of their potential energy surface and of the corresponding vibrational properties are of fundamental importance for the interpretation of…
Most methods for estimating configurational entropy from molecular simulation data yield upper limits except for harmonic systems where they are exact. Problems arise at diffusive systems and the presence of conformational transitions.…
Numerical algorithms for elliptic partial differential equations frequently employ error estimators and adaptive mesh refinement strategies in order to reduce the computational cost. We can extend these techniques to general vectors by…
Paradigmatic model systems, which are used to study the mechanical response of matter, are random networks of point-atoms, random sphere packings, or simple crystal lattices, all of these models assume central-force interactions between…
The holographic duality has proven successful in linking seemingly unrelated problems in physics.Recently, intriguing correspondences between the physics of soft matter and gravity are emerging,including strong similarities between the…
In this paper we consider formal asymptotic algorithms for a class of meso-scale approximations for problems of vibration of elastic membranes, which contain clusters of small inertial inclusions distributed along contours of pre-defined…
Scientists use imaging to identify objects of interest and infer properties of these objects. The locations of these objects are often measured with error, which when ignored leads to biased parameter estimates and inflated variance.…
We have developed a formulation of density functional perturbation theory for the calculation of vibrational frequencies in molecules and solids, which uses numerical atomic orbitals as a basis set for the electronic states. The (harmonic)…
This comment corrects some errors which appeared in the calculation of an elastic sphere eigenenergies. As a result, the symmetry of the mode having the lowest frequency is changed. Also a direction for calculating the damping of these…
Atom-in-jellium calculations of the Einstein frequency in condensed matter and of the equation of state were used to predict the variation of shear modulus from zero pressure to ~$10^7$ g/cm$^3$, for several elements relevant to white dwarf…
In order to reach the required performance of Stage-III and IV weak lensing surveys, cosmic shear measurements have to rely on external simulations to calibrate residual biases. Over the years, several techniques have been developed to…
In this paper we analyze a virtual element method for the two dimensional elasticity spectral problem allowing small edges. Under this approach, and with the aid of the theory of compact operators, we prove convergence of the proposed VEM…
We analyse liquid-crystalline ordering in vertically vibrated monolayers of cylinders confined in a circular cavity. Short cylinders form tetratic arrangements with C$_4$ symmetry. This symmetry, which is incompatible with the geometry of…