Related papers: Refining glass structure in two dimensions
The superstructure spots that appear in diffraction patterns of tilted perovskites are well documented and easily calculated using crystallographic software. Here, by considering a distortion mode as a perturbation of the prototype…
X-Ray microtomography was used to follow the coarsening of the structure of a ternary silicate glass experiencing phase separation in the liquid state. The volumes, surfaces, mean and Gaussian curvatures of the domains of minority phase…
In many imaging applications where segmented features (e.g. blood vessels) are further used for other numerical simulations (e.g. finite element analysis), the obtained surfaces do not have fine resolutions suitable for the task. Increasing…
The accuracy of molecular simulations is fundamentally limited by the interatomic potentials that govern atomic interactions. Traditional potential development, which relies heavily on ab initio calculations, frequently struggles to…
We show numerically that a three-dimensional model for structural glass displays aging, rejuvenation and memory effects when submitted to a temperature cycle. These effects indicate that the free energy landscape of structural glasses may…
We present an adaptive refinement algorithm for T-splines on unstructured 2D meshes. While for structured 2D meshes, one can refine elements alternatingly in horizontal and vertical direction, such an approach cannot be generalized directly…
Amorphous silicon films prepared by electron beam evaporation have systematically and substantially greater atomic density for higher thickness, higher growth temperature, and slower deposition rate, reaching the density of crystalline Si…
We suggest two metrics for assessing the quality of atomistic configurations of disordered materials, both of which are based on quantifying the orientational distribution of neighbours around each atom in the configuration. The first…
Review paper on computer simulations of the structure of amorphous silica.
Indentation has been widely used for investigating the mechanical behavior of glasses. However, how the various microscopic properties (such as atomic structure and mechanics) of glass evolve from the immediate contact with the indenter to…
In glasses, atomic disorder combined with atomic connectivity makes understanding of the nature of the vibrations much more complex than in crystals or molecules. With a simple model, however, it is possible to show how disorder generates…
We have adapted classical molecular dynamics to study the structural and dynamical properties of amorphous silica surfaces. Concerning the structure, the density profile exhibits oscillations perpendicularly to the surface as observed in…
We study the atomic structure of twisted bilayer graphene, with very small mismatch angles ($\theta \sim 0.28^0$), a topic of intense recent interest. We use simulations, in which we combine a recently presented semi-empirical potential for…
We explore, by means of inelastic neutron scattering, the extent of changes in dynamic correlations induced by thermal poling of vitreous $SiO_2$. The measured vibrational density of states shows an excess of modes in certain frequency…
An exact analytical expression for the static structure factor $S(k)$ in disordered materials is derived from Fourier transformed neighbor distribution decompositions in real space, and permits to reconstruct the function $S(k)$ in an…
This letter is the first demonstration of material modification using tightly focused femtosecond laser vortex beams. Double-charge femtosecond vortices were synthesized with the polarization-singularity beam converter described in Ref [1]…
We present a computational study of the electronic properties of amorphous SiO2. The ionic configurations used are the ones generated by an earlier molecular dynamics simulations in which the system was cooled with different cooling rates…
Disordered systems like liquids, gels, glasses, or granular materials are not only ubiquitous in daily life and in industrial applications but they are also crucial for the mechanical stability of cells or the transport of chemical and…
The pattern development of multiple cracks in extremely anisotropic solids such as bilayer or multilayer two-dimensional (2D) crystals contains rich physics, which, however, remains largely unexplored. We studied crack interaction across…
This letter is the first demonstration of material modification using tightly focused femtosecond laser vortex beams. Double-charge femtosecond vortices were synthesized with the polarization-singularity beam converter described in Ref [1]…