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We analyze the temporal fluctuations of the flow field associated to a shear-induced transition in a lyotropic lamellar phase: the layering transition of the onion texture. In the first part of this work [Salmon et al., submitted to Phys.…
Ionic liquids (ILs), also known as room-temperature molten salts, are composed of pure ions with melting points usually below 100 degrees centigrade. Because of their low volatility and vast amounts of species, ILs can serve as "green…
In the superionic phase of silver iodide, we observe a distorted tetragonal structure characterized by symmetry breaking in the cation distribution. This phase competes with the well known bcc phase, with a symmetric cation distribution at…
Salt water is ubiquitous, playing crucial roles in geological and physiological processes. Despite centuries of investigations, whether or not water's structure is drastically changed by dissolved ions is still debated. Based on density…
We use first principles density functional theory calculations to examine the effect of multiple anions on the Peierls distortion in the rutile oxyfluoride TiOF. By using a structure enumeration approach, we obtain the ground state atomic…
Demixing properties of planetary major constituents influence the interior structure and evolution of planets. Comparing experimental and computational data on the miscibility of hydrogen and water to adiabatic profiles suggests phase…
Recent advances in experimental and computational techniques have allowed for an accurate description of the adsorption of ionic liquids on metallic electrodes. It is now well established that they adopt a multi-layered structure, and that…
By resonant x-ray scattering at the Mn K-edge on La7/8Sr1/8MnO3, we show that an orbital polaron lattice (OPL) develops at the metal-insulator transition of this compound. This orbital reordering explains consistently the unexpected…
We consider a system composed of a monodisperse charge-stabilized colloidal suspension in the presence of monovalent salt, separated from the pure electrolyte by a semipermeable membrane, which allows the crossing of solvent, counterions,…
We use a lattice model of a ternary mixture containing saturated and unsaturated lipids with cholesterol (Chol), to study the structural properties characterizing the coexistence between the liquid-disordered and liquid-ordered phases.…
Ordered mesoscale structures in 2D materials induced by small misorientations have opened pathways for a wide variety of novel electronic, ferroelectric, and quantum phenomena. Until now, the only mechanism to induce this periodic ordering…
Using a modified Lennard-Jones model for anisotropic particles, we present results of molecular dynamics simulation in two dimensions. In one-component systems, we find crystallization, a Berezinskii-Kosterlitz-Thouless phase, and a…
The dilute lamellar phase of the nonionic surfactant C$_{12}$EO$_5$ was doped with goethite (iron oxide) nanorods up to a fraction of 5 vol. %. The interaction between the inclusions and the host phase was studied by polarized optical…
Sodium layered oxides often undergo phase transformations involving ordering or disordering of Na+ upon desodiation, i.e., when cycled as a battery electrode. Accurately characterizing these phases is crucial for understanding functional…
Cooperative Jahn-Teller ordering is well-known to drive the cubic $Fd\overline{3}m$ to tetragonal $I$4$_1$/$amd$ structural distortion in Mn$_3$O$_4$ at 1170 $^{\circ}$C. Further structural distortion occurs in Mn$_3$O$_4$ upon magnetic…
A series of MnO2 unique nanostructures were synthesized by a facile hydrothermal method with microwave-assisted procedures. A novel nanostructure formation mechanism has been proposed, that MnO6 octahedral nuclei and molecular layers can be…
Phase separation of sequence-disordered liquid crystalline polymers, a promising class of technological and biological relevance, is studied by field theory, and thermodynamic mechanisms responsible for orientational ordering observed in…
Very accurate wave functions are calculated for small transition metal oxide molecules. These wave functions are decomposed using reduced density matrices to study the underlying correlation of electrons. The correlation is primarily of…
It is observed that low-lying transitions of an interstitial hydrogen adatom on a metallic lattice correspond classically to dipoles oscillating at frequencies where band electrons typically have a low electromagnetic absorption. Such…
We present a 2D lattice model of water to study the effects of ion hydration on the properties of water. We map the water molecules as lattice particles consisting of a single Oxygen at the center of a site and two Hydrogen atoms on each…