Search results for "Amorphous materials"
showing 10 items of 14 documents
Preparation of Pd coated anodic alumina membranes for gas separation media
2007
Different procedures of Pd electroless deposition onto anodic alumina membranes were investigated to form a dense metal layer covering pores. The main difficulty was related to the amorphous nature of anodic alumina membranes, determining low chemical stability in solutions at pH > 9, where Pd plating works more efficiently. As a consequence, it was necessary to find the operative conditions allowing Pd deposition without damaging the membrane: to reduce alumina dissolution, the plating bath was buffered at pH 8.5 by addition of either NaHCO 3 or Na 2 B 4 O 7 ·H 2 O. Acceptable conversion of Pd was found after a deposition time of 3 min. Single and multiple deposition steps (each lasting 3 …
Wave-Vector Dependence of the Dynamics in Supercooled Metallic Liquids
2020
Physical review letters 125(5), 055701 (2020). doi:10.1103/PhysRevLett.125.055701
Optical and morphological properties of infrared emitting functionalized silica nanoparticles
2013
Abstract The loading process of functionalized silica nanoparticles was investigated in order to obtain nanoparticles having functional groups on their surface and Near-Infrared (NIR) emission properties. The NIR emission induced by O 2 loading was studied in silica nanoparticles, produced by pyrogenic and microemulsion methods, with size ranging from 20 to 120 nm. Loading was carried out by thermal treatments in O 2 atmosphere up to 400 °C and 90 bar. The effects of the thermal treatments on the NIR emission and on the structural properties were studied by luminescence and Raman techniques, whereas the morphological features were investigated by Transmission Electron Microscopy and Atomic …
Structure and dynamics in amorphous tellurium and Te-n clusters: A density functional study
2012
Density functional/molecular dynamics simulations have been performed on amorphous tellurium (a meltquenched sample of 343 atoms at 300 K) and on Te clusters with up to 16 atoms. The former extend our calculations on liquid Te at 560, 625, 722, and 970 K [Phys. Rev. B 81, 094202 (2010)]. We discuss trends in structures (including those of other group-16 elements), electronic densities of states, and vibration frequencies. Chain structures are common in S and Se, but the chains in amorphous Te are short, and branching sites with threefold-coordinated atoms are common. The energy difference between two- and threefold local coordination depends sensitively on the exchange-correlation functiona…
Nucleus-driven crystallization of amorphous Ge2Sb2Te5: A density functional study
2012
Early stages of nucleus-driven crystallization of the prototype phase change material Ge2Sb2Te5 have been studied by density functional/molecular dynamics simulations for amorphous samples (460 and 648 atoms) at 500, 600, and 700 K. All systems assumed a fixed cubic seed of 58 atoms and 6 vacancies. Crystallization occurs within 600 ps for the 460-atom system at 600 and 700 K, and signs of crystallization (nucleus growth, percolation) are present in the others. Crystallization is accompanied by an increase in the number of “ABAB squares” (A: Ge, Sb, B: Te), and atoms of all elements move significantly. There is no evidence of cavity movement to the crystal-glass interface, as suggested rece…
Adsorption of CO and N 2 molecules at the surface of solid water. A grand canonical Monte Carlo study
2020
International audience; The adsorption of carbon monoxide and nitrogen molecules at the surface of four forms of solid water is investigated by means of grand canonical Monte Carlo simulations. The trapping ability of crystalline Ih and low-density amorphous ices, along with clathrate hy-drates of structures I and II, are compared at temperatures relevant for astrophysics. It is shown that, when considering a gas phase that contains mixtures of carbon monoxide and nitrogen, the trapping of carbon monoxide is favored with respect to that of nitrogen at the surface of all solids, irrespective of the temperature. The results of the calculations also indicate that some amounts of molecules can …
Phosphorous doping and drawing effects on the Raman spectroscopic properties of O=P bond in silica-based fiber and preform.
2012
International audience; We report an experimental study of the doping and drawing effects on the Raman activities of phosphorus (P)-doped silica-based optical fiber and its related preform. Our data reveal a high sensitivity level in the full width at half maximum value of the 1330 cm−1 (O = P) Raman band to the P-doping level. Its increase with the P doping level does not clash with an increase in the disorder of the O = P surrendering matrix. In addition, we observe that in the central core region of the sample (higher doping level), the drawing process decreases the relative band amplitude. We tentatively suggest that this phenomenon is due to the change in the first derivate of the bond…
Do we understand the solid-like elastic properties of confined liquids?
2021
Recently, in polymeric liquids, unexpected solid-like shear elasticity has been discovered, which gave rise to a controversial discussion about its origin (1⇓–3). The observed solid-like shear modulus G depends strongly on the distance L between the plates of the rheometer according to a power law G ∝ L − p with a nonuniversal exponent ranging between p = 2 and p = 3 . Zaccone and Trachenko (4) have published an article in which they claim to explain these findings by a nonaffine contribution to the liquid shear modulus. The latter is represented as Δ G ∝ − ∑ λ = L , T 1 V … [↵][1]1To whom correspondence may be addressed. Email: giancarlo.ruocco{at}roma1.infn.it. [1]: #xref-corresp-1-1
First principles simulation of amorphous InSb
2013
Ab initio molecular dynamics simulations based on density functional theory have been performed to generate a model of amorphous InSb by quenching from the melt. The resulting network is mostly tetrahedral with a minor fraction ($10%$) of atoms in a fivefold coordination. The structural properties are in good agreement with available x-ray diffraction and extended x-ray-absorption fine structure data and confirm the proposed presence of a sizable fraction of homopolar In-In and Sb-Sb bonds whose concentration in our model amounts to about $20%$ of the total number of bonds.
The role of crystalline, mobile amorphous and rigid amorphous fractions in the performance of recycled poly (ethylene terephthalate) (PET)
2012
[EN] The action of thermo-mechanical degradation induced by mechanical recycling of poly(ethylene terephthalate) was simulated by successive injection moulding cycles. Degradation reactions provoked chain scissions and a reduction in molar mass mainly driven by the reduction of diethyleneglycol to ethylene glycol units in the flexible domain of the PET backbone, and the formation of -OH terminated species with shorter chain length. The consequent microstructural changes were quantified taking into account a three-fraction model involving crystalline, mobile amorphous (MAF) and rigid amorphous fractions (RAF). A remarkable increase of RAF, to a detriment of MAF was observed, while the percen…