相关论文: XRD and micro-Raman study of structural transforma…
The effects of plasticization of poly(methyl methacrylate) glass on the boson peaks observed by Raman and neutron scattering are compared. In plasticized glass the cohesion heterogeneities are responsible for the neutron boson peak and…
Absorption spectra of liquid water at 300 K are calculated from both classical and density functional theory molecular dynamics simulation data, which together span from 1 MHz to hundreds of THz, agreeing well with experimental data…
We resort to first-principles molecular dynamics, in synergy with experiments, to study structural evolution and Na$^+$ cation diffusion inside (TeO$_2$)$_{1-x}$-(Na$_2$O)$_{x}$ (x = 0.10-0.40) glasses. Experimental and modeling results…
Glass forming liquids exhibit structural relaxation behaviors, reflecting underlying atomic rearrangements on a wide range of timescales. These behaviors play a crucial role in determining many material properties. However, the relaxation…
We use ab initio simulations to study the static and dynamic properties of a sodium borosilicate liquid with composition 3Na_2O-B_2O_3-6SiO_2, i.e. a system that is the basis of many glass-forming materials. In particular we focus on the…
Glasses are nonequilibrium solids with properties highly dependent on their method of preparation. In vapor-deposited molecular glasses, structural organization could be readily tuned with deposition rate and substrate temperature. Herein,…
We control the anisotropic molecular packing of vapor-deposited glasses of ABH113, a deuterated anthracene derivative with promise for future OLED materials, by changing the deposition rate and substrate temperature at which they are…
We introduce a Raman profiling method to track homogenization of Ge$_x$Se$_{100-x}$ melts in real time, and show that 2 gram melts reacted at 950{\deg}C in high vacuum homogenize in 168 hours on a scale of 10{\mu}m. Homogenization of melts…
We present a series of ab-initio calculations of spectroscopic properties of liquid water at ambient conditions. Our results show that all available theoretical and experimental evidence is consistent with the standard model of the liquid…
We measure the flow of water through mixed packings of glass spheres and soft swellable hydrogel grains, at constant sample volume. Permeability values are obtained at constant sample volume and at porosities smaller than random close…
Solid State Nuclear Magnetic Resonance (NMR) experiments allow characterizing the local structure and dynamics of oxide glasses and melts. Thanks to the development of new experiments, it now becomes possible to evidence not only the…
Accurate measurements of the dependence of low-frequency Raman scattering on the scattering angle were performed in two silica glasses. By a comparison of spectra measured at a large scattering angle (close to back scattering) and a small…
The lattice dynamics of preferentially aligned nanocrystals formed upon drying of aqueous Ba(NO$_3$)$_2$ solutions in a mesoporous silica glass traversed by tubular pores of approximately 12 nm are explored by Raman scattering. To interpret…
Grazing incidence x-ray surface scattering has been used to investigate liquid surfaces down to the molecular scale. The free surface of water is well described by the capillary wave model (<z(q)z(-q)> ~ q-2 spectrum) up to wavevectors >…
We present the rest-frame 200--320 \mm\ spectrum of the z=3.91 quasar \apm, obtained with Z-Spec at the Caltech Submillimeter Observatory. In addition to the \jeight\ to \jthirteen\ CO rotational transitions which dominate the CO cooling,…
We have performed dielectric spectroscopy on the molecular glass-formers glycerol, propylene carbonate (PC) and the ionic melts CKN and CRN. The frequency range covers almost 20 decades from some micro-Hz to some THz. The meausrement…
The local structure of liquid water as a function of temperature is a source of intense research. This structure is intimately linked to the dynamics of water molecules, which can be measured using Raman and infrared spectroscopies. The…
An open question is whether the liquid and glassy phases of water are thermodynamically distinct or continuous. Here we address this question using molecular dynamics simulations in comparison with neutron scattering experiments to study…
Raman scattering, IR reflectance and modulated DSC measurements are performed on specifically prepared dry (AgI)x(AgPO3)1-x glasses over a wide range of compositions 0 < x < 0.60. A reversibility window is observed in the 0.095< x < 0.378…
Melt-quenched AsxGexSe1-2x glasses over the composition range, 0 < x < 0.26, are examined in Raman scattering, T-modulated Differential Scanning Calorimetry (MDSC), and 119Sn Mossbauer spectroscopy measurements. The non-reversing enthalpy…