Related papers: Angular rigidity in tetrahedral network glasses
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 atomic structure of the supercooled liquid has often been discussed as a key source of glass formation in metals. The presence of icosahedrally-coordinated clusters and their tendency to form networks have been identified as one…
URh_2Ge_2 occupies an extraordinary position among the heavy-electron 122-compounds, by exhibiting a previously unidentified form of magnetic correlations at low temperatures, instead of the usual antiferromagnetism. Here we present new…
Geometrically frustrated spin systems often do not exhibit long-range ordering, resulting in either quantum-mechanically disordered states, such as quantum spin liquids, or classically disordered states, such as spin ices or spin glasses.…
We consider unsupervised learning methods for characterizing the disordered microscopic structure of supercooled liquids and glasses. Specifically, we perform dimensionality reduction of smooth structural descriptors that describe radial…
A self-consistent model is developed to investigate attachment / detachment kinetics of two soft, deformable microspheres with irregular surface and coated with flexible binding ligands. The model highlights how the microscale binding…
The effect of ring stiffness and pressure on the glassy dynamics of a thermal assembly of two-dimensional ring polymers is investigated using extensive coarse-grained molecular dynamics simulations. In all cases, dynamical slowing down is…
Recent results confirm the presence of molecular oxygen proving that recombination of dissociated silica bonds does not occur. This combined with the observation of nanopores within the nanograting structure in silica, leads to a new…
The dynamical properties and mechanical functions of amorphous materials are governed by their microscopic structures, particularly the elasticity of the interaction networks, which is generally complicated by structural heterogeneity. This…
Oxide glasses are made of a network of glass former polyhedra, and modifiers which have a role in neutralizing the charge of the glass former polyhedra or depolymerize the glass network. The effect of the modifier content on the structure…
The structure and the electronic properties of a sodium tetrasilicate (Na${}_2$Si${}_4$O${}_9$) glass were studied by combined Car-Parrinello and classical molecular-dynamics simulations. The glass sample was prepared using a method…
Topology is an important determinant of the behavior of a great number of condensed-matter systems, but until recently has played a minor role in elasticity. We develop a theory for the deformations of a class of twisted non-Euclidean…
We model the mechanics of associating trivalent dendrimer network glasses with a focus on their energy dissipation properties. Various combinations of sticky bond (SB) strength and kinetics are employed. The toughness (work-to-fracture) of…
Twinning induced plasticity (TWIP) steels are high strength metallic materials with potential for structural components in e.g. automotive applications. However, they are prone to hydrogen embrittlement (HE) and galvanic corrosion. We…
Ab initio molecular dynamics simulations of liquid water under equilibrium ambient conditions, together with a novel energy decomposition analysis, have recently shown that a substantial fraction of water molecules exhibit a significant…
Molecular Dynamics simulations of glycerol confined in $\gamma$-Al$_2$O$_3$ slit nanopores are used to explain controversial and inconsistent observations reported in the literature regarding the dynamics of viscous fluids in confined…
Glasses derive their functional properties from complex relaxation dynamics that remain enigmatic under extreme conditions. While the temperature dependence of these relaxation processes is well-established, their behavior under…
An elastic anomaly, observed in the heavy Fermi liquid state of Ce alloys (for example, CeCu_6 and CeTe), is analyzed by using the infinite-U Anderson lattice model. Four atomic energy levels are assumed for f-electrons. Two of them are…
We describe the geometry of bend distortions in twist-bend nematic liquid crystals in terms of their fundamental degeneracies, which we call $\beta$ lines. These represent a new class of line-like topological defect. We use them to…
Chalcogenide alloys are materials of interest for optical recording and non-volatile memories. We perform ab-initio molecular dynamics simulations aiming at shading light onto the structure of amorphous Ge2Sb2Te5 (GST), the prototypical…