Related papers: ElasTool: An automated toolkit for elastic constan…
Third-order elasticity (TOE) theory is predictive of strain-induced changes in second-order elastic coefficients (SOECs) and can model elastic wave propagation in stressed media. Although third-order elastic tensors have been determined…
Strong multiple scattering of the probe in scanning transmission electron microscopy (STEM) means image simulations are usually required for quantitative interpretation and analysis of elemental maps produced by electron energy-loss…
Elastic constants are among the most fundamental and important properties of solid materials, which is why they are routinely characterized in both experiments and simulations. While conceptually simple, the treatment of elastic constants…
Mechanical and elastic properties of materials are among the most fundamental quantities for many engineering and industrial applications. Here, we present a formulation that is efficient and accurate for calculating the elastic and bending…
We propose a framework to model elastic properties of polycrystals by coupling crystal orientational degrees of freedom with elastic strains. Our model encodes crystal symmetries and takes into account explicitly the strain compatibility…
Electron energy loss spectroscopy (EELS) has been established as a powerful analytical technique for investigating the oxidation state, band structure, and dielectric properties of materials with exceptional spatial resolution. Inspired by…
Anisotropic ideal strength is a fundamental and important plasticity parameter in scaling the intrinsic strength of strong crystalline materials, and is a potential descriptor in searching and designing novel hard/superhard materials.…
This paper presents a new Matlab toolbox, aimed at facilitating the use of polynomial optimization for stability analysis of nonlinear systems. In the past decade several decisive contributions made it possible to recast this type of…
In the present paper, the simplest model of strain-gradient elasticity will be considered, that is the isotropy in a bidimensional space. Paralleling the definition of the classic elastic moduli, our aim is to introduce second-order…
Undisputedly, derivation of theoretical systematic uncertainties is an inseparable ingredient of any robust analysis dealing with experimental data. However, it is not uncommon, even for those analyses that use state of the art methods and…
Static program slicing is a fundamental technique in software engineering. Traditional static slicing tools rely on parsing complete source code, which limits their applicability to real-world scenarios where code snippets are incomplete or…
The Quantum Self-Consistent Ab-Initio Lattice Dynamics package (QSCAILD) is a python library that computes temperature-dependent effective 2nd and 3rd order interatomic force constants in crystals, including anharmonic effects. QSCAILD's…
The variational discrete element method developed in [28] for dynamic elasto-plastic computations is adapted to compute the deformation of elastic Cosserat materials. In addition to cellwise displacement degrees of freedom (dofs), cellwise…
PySEMTools is a Python-based library for post-processing simulation data produced with high-order hexahedral elements in the context of the spectral element method in computational fluid dynamics. It aims to minimize intermediate steps…
This study extends the use of symbolic computation in Matrix Structural Analysis (MSA) to plane (2D) trusses, building on previous work that focused on continuous beams. An open-source MATLAB program, hosted on GitHub, was developed to…
Liquid Crystalline Elastomers (LCEs) are active materials that are of interest due to their programmable response to various external stimuli such as light and heat. When exposed to these stimuli, the anisotropy in the response of the…
Single Crystal Elastic Constants (SECs) are pivotal for understanding material deformation, validating interatomic potentials, and enabling crucial material simulations. The entropy stabilized oxide showcases intriguing properties,…
We present an extension of the SLUSCHI package (Solid and Liquid in Ultra Small Coexistence with Hovering Interfaces) to enable automated diffusion calculations from first-principles molecular dynamics. While the original SLUSCHI workflow…
Soft tissue elasticity is directly related to different stages of diseases and can be used for tissue identification during minimally invasive procedures. By palpating a tissue with a robot in a minimally invasive fashion force-displacement…
In this work, we present the program MAELAS to calculate magnetocrystalline anisotropy energy, anisotropic magnetostrictive coefficients and magnetoelastic constants in an automated way by Density Functional Theory calculations. The program…