Related papers: First-principles calculation of higher-order elast…
In the presented research, the intergranular elastic interaction and the second-order plastic incompatibility stress in textured ferritic and austenitic steels were investigated by means of diffraction. The lattice strains were measured…
A heuristic formula for 5-point approximation of the first derivative of an unknown function whose values are measured with an error at unequally spaced points is proposed. The derivative at a given point is calculated using the effective…
We introduce a robust first order accurate meshfree method to numerically solve time-dependent nonlinear conservation laws. The main contribution of this work is the meshfree construction of first order consistent summation by parts…
This work represents the first chapter of a project on the foundations of first-principle calculations of the electron transport in crystals at finite temperatures. We are interested in the range of temperatures, where most electronic…
In liquid crystal elastomers, the orientational order of liquid crystals is coupled with elastic distortions of crosslinked polymer networks. Previous theoretical research has described these materials through two different approaches: a…
A new method for direct evaluation of both crystalline structure, bulk modulus B_0, and bulk-modulus pressure derivative B'_0 of solid materials with complex crystal structures is presented. The explicit and exact results presented here…
The elastic constants of hcp $^{4}$He are computed using the path-integral Monte Carlo (PIMC) method. The stiffness coefficients are obtained by imposing different distortions to a periodic cell containing 180 atoms, followed by measurement…
The modern theory of elasticity and the first law of thermodynamics are cornerstones of engineering science that share the concept of reversibility. Engineering researchers have known for four decades that the modern theory violates the…
In the past decades, the finite difference methods for space fractional operators develop rapidly; to the best of our knowledge, all the existing finite difference schemes, including the first and high order ones, just work on uniform…
This paper presents a two-step Bayesian framework for the estimation of the intrinsic single crystal elastic stiffness parameters from the measurements of spherical indentation stress-strain responses in multiple individual grains of a…
What characterises a solid is its way to respond to external stresses. Ordered solids, such crystals, display an elastic regime followed by a plastic one, both well understood microscopically in terms of lattice distortion and dislocations.…
This study addresses the modelling of elastic bodies, particularly when the relaxed configuration is unknown or non-existent. We adopt the theory of initially stressed materials, incorporating the deformation gradient and stress state of…
Many materials of contemporary interest, such as gels, biological tissues and elastomers, are easily deformed but essentially incompressible. Traditional linear theory of elasticity implements incompressibility only to first order and thus…
In this paper an asymptotic homogenization method for the analysis of composite materials with periodic microstructure in presence of thermodiffusion is described. Appropriate down-scaling relations correlating the microscopic fields to the…
Since in DFT+U there are multiple self-consistent electronic solutions, the so called metastable states, the elastic constants computed from stress-vs-strain will be incorrect if some of the strained configurations fall into a different…
This article describes an absolutely stable, first-order constraint solverfor multi-rigid body systems that calculates (predicts) constraint forces for typical bilateral and unilateral constraints, contact constraints with friction, and…
The goal of this paper is to give a comprehensive and short review on how to compute the first and second order topological derivative and potentially higher order topological derivatives for PDE constrained shape functionals. We employ the…
We study a class of elastic systems described by a (hyperbolic) partial differential equation. Our working example is the equation of a vibrating string subject to linear disturbance. The main goal is to establish conditions for…
Equilibrium polyethylene crystal structure, cohesive energy, and elastic constants are calculated by density-functional theory applied with a recently proposed density functional (vdW-DF) for general geometries [Phys. Rev. Lett. 92, 246401…
First Order Reversal Curves (FORCs) have been used for a number of years for the extraction of information from magnetization measurements. The results are most unambiguous for irreversible processes -- for a collection of Preisach…