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11.
Paramagnetic H-related defects in silica: a first-principles investigation
Luigi Giacomazzi, Layla Martin-Samos, Nicolas Richard, 2016, published scientific conference contribution

Keywords: silica, EPR, E'beta, first-principles, hydrogen related defects
Published in RUNG: 16.10.2018; Views: 3983; Downloads: 0
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12.
Accelerating GW calculations with optimal polarizability basis
Paolo Umari, X Qian, Nicola Marzari, G Stenuit, Luigi Giacomazzi, Stefano Baroni, 2011, original scientific article

Keywords: GW approximation, silicon nitride, silica, DFT
Published in RUNG: 16.10.2018; Views: 3652; Downloads: 0
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13.
Medium Range Structure of Tetrahedrally-Bonded Glasses through the First Principles Investigation of Raman spectra
Luigi Giacomazzi, Alfredo Pasquarello, 2012, published scientific conference contribution

Keywords: silica, germania, glasses, Raman, first-principles
Published in RUNG: 16.10.2018; Views: 4173; Downloads: 0
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Dislocation properties of coesite from an ab-initio parametrized interatomic potential
Luigi Giacomazzi, Philippe Carrez, Sandro Scandolo, Patrique Cordier, 2011, original scientific article

Keywords: coesite, ab-initio, dislocations, silica
Published in RUNG: 15.10.2018; Views: 3252; Downloads: 0
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16.
Medium-range structure of vitreous SiO2 obtained through first-principles investigation of vibrational spectra
Luigi Giacomazzi, Paolo Umari, Alfredo Pasquarello, 2009, original scientific article

Keywords: silica, Raman, infrared, v-DOS, first-principles, glass
Published in RUNG: 15.10.2018; Views: 3440; Downloads: 0
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Packing patterns of silica nanoparticles on surfaces of armored polystyrene latex particles
Sara Fortuna, Catheline A. L. Colard, Stefan A. F. Bon, Alessandro Troisi, 2009, original scientific article

Abstract: Fascinating packing patterns of identical spherical and discotic objects on curved surfaces occur readily in nature and science. Examples include C60 fullerenes,(1, 2)13-atom cuboctahedral metal clusters,(3) and S-layer proteins on outer cell membranes.(4) Numerous situations with surface-arranged objects of variable size also exist, such as the lenses on insect eyes, biomineralized shells on coccolithophorids,(5) and solid-stabilized emulsion droplets(6) and bubbles.(7) The influence of size variations on these packing patterns, however, is studied sparsely. Here we investigate the packing of nanosized silica particles on the surface of polystyrene latex particles fabricated by Pickering miniemulsion polymerization of submicrometer-sized armored monomer droplets. We are able to rationalize the experimental morphology and the nearest-neighbor distribution with the help of Monte Carlo simulations. We show that broadening of the nanoparticle size distribution has pronounced effects on the self-assembled equilibrium packing structures, with original 12-point dislocations or grain-boundary scars gradually fading out.
Keywords: packing patterns, silica, simulation, Monte Carlo, order, disorder, transition, armored particles, nanoparticles, Pickering emulsion
Published in RUNG: 10.10.2016; Views: 4910; Downloads: 0
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