Related papers: Angular rigidity in tetrahedral network glasses
We develop a theoretical model, relying on the well established sp3 bond-orbital theory, to describe the strain-induced $\chi^{(2)}$ in tetrahedrally coordinated centrosymmetric covalent crystals, like silicon. With this approach we are…
Anti-Heusler alloys, being a new addition to the Heusler alloys family, exhibit atomic disorders, and almost all of them are reported as a re-entrant spin-glass system. Although such spin-glass feature is generally attributed to the…
Controlling a state of material between its crystalline and glassy phase has fostered many real-world applications. Nevertheless, design rules for crystallization and vitrification kinetics still lack predictive power. Here, we identify…
We investigate mixing effects on the glass state of binary colloidal hard-sphere-like mixtures with large size asymmetry, at a constant volume fraction phi = 0.61. The structure, dynamics and viscoelastic response as a function of mixing…
The thermodynamic liquid-state anomalies and associated structural changes of the Stillinger-Weber family of liquids are mapped out as a function of the degree of tetrahedrality of the interaction potential, focusing in particular on…
We have implemented a complex network description for metallic glasses, able to predict the elasto-plastic regime, the location of shear bands and the statistics that controls the plastic events that originate in the material due to a…
We report the formation of a binary crystal of hard polyhedra due solely to entropic forces. Although the alternating arrangement of octahedra and tetrahedra is a known space-tessellation, it had not previously been observed in…
Recent work on the mechanism of polymer crystallization has led to a proposal for the mechanism of thickness selection which differs from those proposed by the surface nucleation theory of Lauritzen and Hoffman and the entropic barrier…
Structural, vibrational and thermal properties of densified sodium silicate (NS2) are investigated with classical molecular dynamics simulations of the glass and the liquid state. A systematic investigation of the glass structure with…
Crystallization is observed during long molecular dynamics simulations of bent trimers, a molecular model proposed by Lewis and Wahnstr\"{o}m for ortho-terphenyl. In the crystal, the three spheres that make up the rigid molecule sit near…
How atoms in covalent solids rearrange over a medium-range length-scale during amorphization is a long pursued question whose answer could profoundly shape our understanding on amorphous (a-) networks. Based on ab-intio calculations and…
Exploring structural order in disordered systems including liquids and glasses is an intriguing but challenging issue in condensed matter physics. Here we construct a new parameter based on the angular distribution function of particles and…
As approaching the glass transition, particle motion in liquids becomes highly heterogeneous and regions with virtually no mobility coexist with liquid-like domains. This complex dynamics is believed to be responsible for different…
Analyzing the atomic structure of glassy materials is a tremendous challenge both experimentally and computationally, and the lack of direct, detailed insights into glass structure hinders our ability to navigate structure-property…
Helical edge states in quantum spin Hall (QSH) materials are central building blocks of topological matter design and engineering. Despite their principal topological protection against elastic backscattering, the level of operational…
We study theoretically and numerically the elastic properties of hard sphere glasses, and provide a real-space description of their mechanical stability. In contrast to repulsive particles at zero-temperature, we argue that the presence of…
In hydrogenated amorphous silicon oxide (a-SiO:H) films, incorporation of oxygen enhances optical gap due to a large number of St-O-Si bond formation, which lies deep into valence band states. An induction effect of this Si-O on other bonds…
The tridimensional configuration and the twist density of helical rods with varying cross section radius are studied within the framework of the Kirchhoff rod model. It is shown that the twist density increases when the cross section radius…
The local structural environment and the spatial distribution of iron and aluminum ions in sodosilicate glasses with composition NaFexAl1-xSi2O6 (x = 1, 0.8, 0.5 and 0) is studied by high-resolution neutron diffraction combined with…
In this contribution, we investigate the fundamental mechanism of plasticity in a model two-dimensional network glass. The glass is generated by using a Monte Carlo bond-switching algorithm and subjected to athermal simple shear…