Related papers: A new structural relaxation pathway of low-density…
Based on density functional calculations we predict water ice to attain two new crystal structures with Pbca and Cmcm symmetry at 7.6 and 15.5 Mbar, respectively. The known high pressure ice phases VII, VIII, X, and Pbcm as well as the Pbca…
In the last decade five new ice phases were experimentally prepared. Two of them are empty clathrate hydrates and three of them represent hydrogen ordered counterparts of previously known disordered ice phases. Here, we report on hydrogen…
We perform extensive molecular dynamics simulations of dense liquids composed of bidisperse dimer- and ellipse-shaped particles in 2D that interact via repulsive contact forces. We measure the structural relaxation times obtained from the…
Under high pressure, Zr undergoes a transformation from its ambient equilibrium hexagonal close packed $\alpha$ phase to a simple hexagonal $\omega$ phase. Subsequent unloading to ambient conditions does not see a full reversal to the…
The striking anomalies in physical properties of supercooled water that were discovered in the 1960-70s, remain incompletely understood and so provide both a source of controversy amongst theoreticians, and a stimulus to experimentalists…
The low kinetic friction between ice and numerous counterbodies is commonly attributed to an interfacial water layer, which is believed to originate from pre-existing surface water or from melt water induced by high contact pressures or…
Low-temperature properties of crystalline solids can be understood using harmonic perturbations around a perfect lattice, as in Debye's theory. Low-temperature properties of amorphous solids, however, strongly depart from such descriptions,…
At low temperatures, dynamics in amorphous silicon occurs through a sequence of discrete activated events that locally reorganize the topological network. Using the activation-relaxation technique, a data base containing over 8000 such…
In this paper we analyze the kinematics, chemistry, and physical properties of a sample of the most metal-poor damped Lyman-alpha systems (DLAs), to uncover their links to modern-day galaxies. We present evidence that the DLA population as…
We have investigated the response of amorphous silicon (a-Si), in particular crystallization, to external mechanical shear deformations using classical molecular dynamics (MD) simulations and the empirical Environment Dependent Inter-atomic…
We investigate the physical processes occuring in the multiphase gas of a damped Ly\alpha system (DLA). We base our analysis on a high quality Keck HIRES spectrum of the QSO J1211+0422 in which a DLA is detected at z=2.377. There is little…
We investigate the thermodynamic, structural, and dynamic behavior of a three-dimensional coarse-grained ramp-shoulder fluid derived from effective interactions between polymer-grafted nanoparticles. The interaction combines a softened…
One dimensional lepidocrocite titanium dioxide filaments are investigated with respect to their thermal and aqueous stability. Structural and phase evolution are examined using in situ heating in vacuum within transmission electron…
Polymorphism is ubiquitous in crystalline solids. Amorphous solids, such as glassy water and silicon, may undergo amorphous-to-amorphous transitions (AATs). The nature of AATs remains ambiguous, due to diverse system-dependent behaviors and…
We analyze the combined effect of the long range Coulomb (LRC) interaction and of surface energy on first order density-driven phase transitions in the presence of a compensating rigid background. We study mixed states formed by regions of…
The dynamics of social relations and the possibility of reaching the state of structural balance (Heider balance) are discussed for various networks of interacting actors under the influence of the temperature modeling the social noise…
Upon cooling, glass-forming liquids experience a two-step relaxation associated to the cage rattling and the escape from the cage, and the following decoupling between the \b{eta}- and the {\alpha}-relaxations. The found decoupling…
Many amorphous materials show spatially heterogenous dynamics, as different regions of the same system relax at different rates. Such a signature, known as Dynamic Heterogeneity, has been crucial to understand the jamming transition in…
Understanding the atomic-scale structure and dynamics of amorphous oxide surfaces is essential for interpreting their chemical reactivity, mechanical stability, and interfacial behavior, yet direct experimental characterization remains…
We evaluated the effect of the laser-induced acoustic desorption (LIAD) process on thermally stable and unstable biomolecules. We found that the thermally labile glycine molecule fragmented following desorption via LIAD, due to the…