Related papers: ElasTool: An automated toolkit for elastic constan…
Experimental analysis of the mechanics of a deformable object, and particularly its stability, requires repetitive testing and, depending on the complexity of the object's shape, a testing setup that can manipulate many degrees of freedom…
We derive expressions for determination of the stress and the elastic constants in systems composed of particles interacting via non-central two-body potentials as thermal averages of products of first and second partial derivatives of the…
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…
Crystalline two-dimensional (2D) semiconductors often combine high elasticity and in-plane strength, making them ideal for strain-induced tuning of electronic characteristics, akin to strategies used in silicon electronics. However,…
A general second order attenuation (SOA) model is proposed to predict the elastic wave attenuation and phase velocity dispersion in heterogeneous polycrystalline media. It is valid for statistically isotropic aggregates with triclinic…
Pulgon-tools is an open-source software package providing building blocks for the analysis and modeling of quasi-one-dimensional (quasi-1D) periodic systems based on line-group theory. While mature libraries exist for space-group detection…
Resonant inelastic x-ray scattering (RIXS) has become a very powerful experimental technique to probe a broad range of intrinsic elementary excitations, for example, from low energy phonons and (bi-)magnons to high energy $d$-$d$,…
Ultra-high temperature ceramics, UHTCs, are a group of materials with high technological interest because their use in extreme environments. However, their characterization at high temperatures represents the main obstacle for their fast…
The accurate determination of the elastic properties is non-trivial for metallic foils. The measured elastic modulus is often described in literature as significantly smaller than the respective modulus of the bulk counterparts. This paper…
Crystal Toolkit is an open source tool for viewing, analyzing and transforming crystal structures, molecules and other common forms of materials science data in an interactive way. It is intended to help beginners rapidly develop web-based…
The strain states of the components of pseudomorphic superlattices can be accurately modeled analytically through the application of linear elasticity. In this particular case of GaN/AlN 'free-standing' superlattices, the predictions…
Studying the response of materials to strain can elucidate subtle properties of electronic structure in strongly correlated materials. So far, mostly the relation between strain and resistivity, the so called elastoresistivity, has been…
We describe a web-based tool (PASCal; Principal Axis Strain Calculator) aimed at simplifying the determination of principal coefficients of thermal expansion and compressibilities from variable-temperature and variable-pressure lattice…
Background: Modern statistical tools provide the ability to compare the information content of observables and provide a path to explore which experiments would be most useful to give insight into and constrain theoretical models. Purpose:…
We present StatTestCalculator (STC), a new open-source statistical analysis tool designed for analysis high energy physics experiments. STC provides both asymptotic calculations and Monte Carlo simulations for computing the exact…
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 work presents an automated three-point bending apparatus that can be used to study strain engineering and straintronics in two-dimensional materials. We benchmark the system by reporting reproducible strain tuned micro-reflectance,…
Perturbative treatments of the lattice dynamics are widely successful for many crystalline materials, their applicability is, however, limited for strongly anharmonic systems, metastable crystal structures and liquids. The full dynamics of…
Liquid crystal elastomers are rubbery solids that couple liquid crystalline order and deformation. This coupling leads to properties that are attractive for a number of applications in soft robotics and energy absorption. This paper is…
Twistronics is an emerging and captivating field in condensed matter physics and material science. However, accurately and efficiently calculating the electronic structures of twisted systems remains a significant challenge. To address…