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Diamond single crystals showing Infra-red features of pressurized CO2-I phase were studied using Transmission Electron Microscopy (TEM) and tomography. Numerous O-containing precipitates with sizes up to 45 nm are observed. The absolute…
We report a single crystal neutron and x-ray diffraction study of the hybrid improper multiferroic Ca3Mn1.9Ti0.1O7 (CMTO), a prototypical system where the electric polarization arises from the condensation of two lattice distortion…
The kinetic paths of structural evolution and formation of block copolymer (BCP) particles are explored using dynamic self-consistent field theory (DSCFT). It is shown that the process-directed self-assembly of BCP immersed in a poor…
Hydrogen incorporation in native surface oxides of metal alloys often controls the onset of metal hydriding, with implications for materials corrosion and hydrogen storage. A key representative example is titania, which forms as a…
Amorphous materials of homogeneous structures usually suffer from nonuniform deformation under shear, which can develop into shear localization and eventually destructive shear band. One approach to tackle this issue is to introduce an…
When a hydrophilic solute in water is suddenly turned into a hydrophobic species, for instance, by photoionization, a layer of hydrated water molecules forms around the solute on a time scale of a few picoseconds. We study the dynamic…
The layered sodium cobalt oxide NaxCoO2 is studied by electron diffraction for a wide range of sodium contents, 0.15<x<0.75. An extensive series of ordered Na ion-Na vacancy superlattices is found beyond the simple hexagonal average…
Cathode materials undergo various phase transitions during the charge/discharge process, and the structural transitions significantly affect the battery performance. Although phonon properties can provide a direct clue for structural…
The crystalline structure of minerals due to the highly ordered assembly of its constituent atoms, ions or molecules confers a considerable hardness and brittleness to the materials. As a result, they are generally subject to fracture. Here…
The hydrogen ions in the superionic ice can move freely, playing the role of electrons in metals. Its electromagnetic behavior is the key to explaining the anomalous magnetic fields of Uranus and Neptune. Based on the ab initio evolutionary…
A solid-on-solid model is proposed to describe faceting of bcc(111) metal surface induced by a metal overlayer. It is shown that the first order phase transition occurs between faceted {211} or {110} and disordered phases. The ordered…
We study structural transitions in a system of interacting particles arranged as a crystalline bilayer, as a function of the density $\rho$ and the distance $d$ between the layers. As $d$ is decreased a sequence of transitions involving…
An experimental study of a binary granular mixture submitted to a transient shear flow in a cylindrical container is reported. The formation of ripples with a spiral shape is observed. The appearance of phase segregation in those spiral…
We present temperature-dependent single-crystal diffraction results on seven antifluorite-type $A_2MeX_6$ compounds with $Me$=Os or Ir: K$_2$OsCl$_6$, $A_2$OsBr$_6$ with $A$=K, Rb, Cs and NH$_4$, and K$_2$Ir$X_6$ with $X$=Cl and Br. The…
Alkaline-earth metal oxides, in particular MgO and CaO dominate Earths lower mantle, therefore, exploring high pressure behavior of this class of compounds is of significant geophysical research interest. Among all these compounds, BaO…
Ion conducting polymers have a biphasic character with crystalline as well as amorphous phases. There is moreover, a dynamic disorder due to motion of polymer chain segments. The PEO-NH$_4$ClO$_4$ system undergoes a crossover from a…
Solvents comprise two thirds of all industrial emissions. Traditional organic solvents easily reach the atmosphere as they have high vapor pressure and are linked to a host of negative environmental effects including climate change, urban…
Using the colour dipole approach of the QCD perturbative (BFKL) Pomeron exchange in onium-onium scattering, we compute the cross section for small but hierarchically different onium sizes. A specific term dependent on the size-ratio is…
We theoretically and numerically studied ordering of "colloidal ionic clusters" on periodic substrate potentials as those generated by optical trapping. Each cluster consists of three charged spherical colloids: two negatively and one…
A novel growth technique for low density, non-icosahedral carbon onion-like structures on Cu surface is described. The technique differs with the formation of carbon onions inside the C1+ implanted metal surfaces at high temperatures with…