Search results for "Amorphous materials"
showing 4 items of 14 documents
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
Thermally induced structural modifications and O2 trapping in highly porous silica nanoparticles
2014
Abstract In this work we investigate by Raman spectroscopy the effect of isochronal (2 h) thermal treatments in air in the temperature range 200–1000 °C of amorphous silicon dioxide porous nanoparticles with diameters ranging from 5 up to 15 nm and specific surface 590–690 m2/g. Our results indicate that the amorphous structure changes similarly to other porous systems previously investigated, in fact superficial SiOH groups are removed, Si–O–Si linkages are created and the ring statistic is modified, furthermore these data evidence that the three membered rings do not contribute significantly to the Raman signal detected at about 495 cm−1. In addition, after annealing at 900 and 1000 °C we…
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…
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…