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Here we highlight recent progress in the field of computational chemistry of nanoporous materials, focusing on methods and studies that address the extraordinary dynamic nature of these systems: the high flexibility of their frameworks, the…
Over past decades, high energy X-ray diffraction techniques at synchrotron beamline offer us the unique possibility to follow concomitantly some mechanisms on the grain level in metallic materials. Crystal rotation, as one important factor…
We study a two-dimensional model of an active isotropic colloid whose propulsion is linked to the interactions between solute particles of the bath. The colloid catalyzes a chemical reaction in its vicinity, that yields a local phase…
The structural evolution of laser-excited systems of gold has previously been measured through ultrafast MeV electron diffraction. However, there has been a long-standing inability of atomistic simulations to provide a consistent picture of…
We report an asymmetric behavior of optical pulses during their propagation through a time-varying linear optical medium. The refractive index of the medium is considered to be varying with time and complex such that a sufficient amount of…
We created local pinning modulations in YBCO films by means of confined high energy heavy ion irradiation. The high energy of the ions allows us to introduce nanometric size defects with a well defined anisotropy. The dose was chosen in…
In order to determine the key parameters that control the resistive switching mechanism in metal-complex oxides interfaces, we have studied the electrical properties of metal / YBa2Cu3O7-d (YBCO) interfaces using metals with different…
Motivated by recent observations with Herschel/PACS, and the availability of new rate coefficients for the collisional excitation of CO (Yang et al. 2010), the excitation of warm astrophysical CO is revisited with the use of numerical and…
Refraction of wave propagation in a corotating pulsar magnetospheric plasma is considered as a possible interpretation for observed asymmetric pulse profiles with multiple components. The pulsar radio emission produced inside the…
Resonance anomalous surface x-ray scattering (RASXS) technique was applied to electrochemical interface studies. It was used to determine the chemical states of electrochemically formed anodic oxide monolayers on platinum surface. It is…
We study how the binding energy, the vibrational frequencies and the adsorption isotherm of CO on Pd(100) are modified when the solid is subject to uniform strain. The parameters controlling the thermodynamics of adsorption (the adsorption…
Quantum mechanical phenomena, such as electronic coherence and entanglement, play a key role in achieving the unrivalled efficiencies of light-energy conversion in natural photosynthetic light-harvesting complexes, and triggered the growing…
The effects of plateau width and step edge kinking on carbon monoxide (CO)-induced restructuring of platinum surfaces were explored using molecular dynamics (MD) simulations. Platinum crystals displaying four different vicinal surfaces…
The heat transfer (conductive, convective, radiative) and the related problems (the unknown phase boundary fluid/crystal, the assessment of the quality of the grown crystals) encountered in the melt and vapour growth of single crystal as…
We numerically investigate the interaction between two Airy pulses propagating at different wavelengths. The periodically varying peak intensity of the soliton that emerges from stronger Airy pulse (pump pulse) leads to the formation of…
First geometric calculus alongside its description of equiangular spirals, reflections and rotations is introduced briefly. Then single and double reflections at such a spiral are investigated. It proves suitable to distinguish incidence…
Recent observational studies of intermediate- and high-mass star-forming regions at submillimeter and infrared wavelengths are reviewed, and chemical diagnostics of the different physical components associated with young stellar objects are…
A mathematical model has been developed to simulate the kinetic and thermal behaviour of a porous solid pellet undergoing chemical reaction with a gas. The model describes the chemical reaction itself, the transfer of the gaseous species…
A pulse of matter waves may dramatically change its shape when traversing an absorbing barrier with time-dependent transparency. Here we show that this effect can be utilized for controlled manipulation of spatially-localized quantum…
We experimentally investigate the nonlinear optical pulse dynamics of ultrashort laser pulses propagating in gas-filled hollow capillary fibers in different dispersion regimes, which are achieved by tuning the gas pressure. When the pulse…