Theoretical Description of the Role of Halides, Silver, and Surfactants on the Structure of Gold Nanorods

Density functional theory simulations including dispersion provide an atomistic description of the role of different compounds in the synthesis of gold-nanorods. Anisotropy is caused by the formation of a complex between the surfactant, bromine, and silver that preferentially adsorbs on some facets of the seeds, blocking them from further growth. In turn, the nanorod structure is driven by the perferential adsorption of the surfactant, which induces the appearance of open {520} lateral facets

Influence of Anthropometric Variables on Three Different Maximal Oxygen Consumption Units: NHANES 2003-2004

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Stabilised finite element methods for a bending moment formulation of the Reissner-Mindlin plate model

This work presents new stabilised finite element methods for a bending moments formulation of the Reissner-Mindlin plate model. The introduction of the bending moment as an extra unknown leads to a new weak formulation, where the symmetry of this variable is imposed strongly in the space. This weak problem is proved to be well-posed, and stabilised Galerkin schemes for its discretisation are presented and analysed. The finite element methods are such that the bending moment tensor is sought in a finite element space constituted of piecewise linear continuos and symmetric tensors. Optimal error estimates are proved, and these findings are illustrated by representative numerical experiments

A residual based a posteriori error estimator for an augmented mixed finite element method in linear elasticity

In this paper we develop a residual based a posteriori error analysis for an augmented mixed finite element method applied to the problem of linear elasticity in the plane. More precisely, we derive a reliable and efficient a posteriori error estimator for the case of pure Dirichlet boundary conditions. In addition, several numerical experiments confirming the theoretical properties of the estimator, and illustrating the capability of the corresponding adaptive algorithm to localize the singularities and the large stress regions of the solution, are also reporte

On an adaptive stabilized mixed finite element method for the Oseen problem with mixed boundary conditions

[Abstract] We consider the Oseen problem with nonhomogeneous Dirichlet boundary conditions on a part of the boundary and a Neumann type boundary condition on the remaining part. Suitable least squares terms that arise from the constitutive law, the momentum equation and the Dirichlet boundary condition are added to a dual-mixed formulation based on the pseudostress-velocity variables. We prove that the new augmented variational formulation and the corresponding Galerkin scheme are well-posed, and a Céa estimate holds for any finite element subspaces. We also provide the rate of convergence when each row of the pseudostress is approximated by Raviart–Thomas elements and the velocity is approximated by continuous piecewise polynomials. We develop an a posteriori error analysis based on a Helmholtz-type decomposition, and derive a posteriori error indicators that consist of two residual terms per element except on those elements with a side on the Dirichlet boundary, where they both have two additional terms. We prove that these a posteriori error indicators are reliable and locally efficient. Finally, we provide several numerical experiments that support the theoretical results.Xunta de Galicia; ED431G 2019/01Universidad Católica de la Santísima Concepción (Chile); 1160578Ministerio de Economía y Competitividad; MTM2016-76497-RMinisterio de Ciencia, Innovación y Universidades; PRX19/00475Xunta de Galicia; GRC ED431C 2018-03