Related papers: Permanently densified SiO$_2$ glasses: a structura…
We use large-scale molecular dynamics simulations of a simple glass-forming system to investigate how its liquid-gas phase separation kinetics depends on temperature. A shallow quench leads to a fully demixed liquid-gas system whereas a…
We use \textit{ab initio} molecular dynamics simulations to investigate the properties of the dry surface of pure silica and sodium silicate glasses. The surface layers are defined based on the atomic distributions along the direction…
At temperatures well below their glass transition, the deformation properties of bulk metallic glasses are characterised by a sharp transition from elasticity to plasticity, a reproducible yield stress, and an approximately linear decrease…
This study examines the roughness of mechanically cleaved edges in 2D crystals and glasses using molecular dynamics simulations with chemically accurate machine-learning force fields. Our results show that ultra-flat armchair and zigzag…
Yielding behavior in amorphous solids has been investigated in computer simulations employing uniform and cyclic shear deformation. Recent results characterise yielding as a discontinuous transition, with the degree of annealing of glasses…
A central question concerning glass-formation has been what governs the kinetic arrest of the quenched liquid - cooling reduces the thermal energy which molecules need to surmount local potential barriers, while the accompanying volume…
High pressures allow the synthesis of new metastable compounds that remain intact for a sufficiently long time at normal conditions. Until now, it has not been fully understood how pressure, glass-forming ability and solidification of…
The evolution of porous structure and mechanical properties of binary glasses under tensile loading were examined using molecular dynamics simulations. We consider vitreous systems obtained in the process of phase separation after a rapid…
Relaxation dynamics, as a key to understand glass formation and glassy properties, remains an elusive and challenging issue in condensed matter physics. In this work, in situ high-pressure synchrotron high-energy x-ray photon correlation…
It is shown that traditional estimates of the pore diameter in the porous silica material MCM-41-S15 (of order 15\AA) are too small to allow the amount of water that is absorbed by these materials (around 0.5gH2O/g substrate) to occur only…
The linewidth of longitudinal acoustic waves in densified silica glass is obtained by inelastic x-ray scattering. It increases with a high power alpha of the frequency up to a crossover where the waves experience strong scattering. We find…
The structural and dynamic properties of silica melts under high pressure are studied using molecular dynamics (MD) computer simulation. The interactions between the ions are modeled by a pairwise-additive potential, the so-called CHIK…
We performed calorimetric and torsion stress relaxation measurements upon linear heating of six conventional and high-entropy metallic glasses with the mixing entropy {\Delta}Smix ranging from 0.86R to 1.79R (R is the universal gas…
The influence of cyclic loading and glass stability on structural relaxation and yielding transition in amorphous alloys was investigated using molecular dynamics simulations. We considered a binary mixture cooled deep into the glass phase…
Solid CS$_{2}$ is superficially similar to CO$_{2}$, with the same $Cmca$ molecular crystal structure at low pressures, which has suggested similar phases also at high pressures. We carried out an extensive first principles evolutionary…
Experimentally resolving atomic-scale structural changes of a deformed glass remains challenging owing to the disordered nature of glass structure. Here, we show that the structural anisotropy emerges as a general hallmark for different…
The evolution of porous structure, potential energy and local density in binary glasses under oscillatory shear deformation is investigated using molecular dynamics simulations. The porous glasses were initially prepared via a rapid thermal…
We use large-scale molecular dynamics simulations to study the kinetics of the liquid-gas phase separation if the temperature is lowered across the glass transition of the dense phase. We observe a gradual change from phase separated…
The liquid crystalline compound, forming the glass of the smectic C$_A$* phase, is investigated by the X-ray diffraction in the 18-298 K range. The characteristic distances within the smectic C$_A$* phase are determined. The electron…
Oxide glasses have proven to be useful across a wide range of technological applications. Nevertheless, their medium-range structure has remained elusive. Previous studies focused on the ring statistics as a metric for the medium-range…