Energetics of oxygen species in crystalline and amorphous SiO2: a first-principles investigation
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Large numbers of Scots pine are dying in the dry inner-alpine valleys of the European Alps; in Switzerland, locally almost half the Scots pine (Pinus sylvestris L.) population has died since 1995. As Switzerland's temperature has increased at more than twi ...
On the basis of the Neyman-Scott process a model is proposed to generate rainfall at two sites simultaneously. This model takes into account the correlation, which is produced by generating bivariate correlated variates. The cross correlation between the s ...
Using a density functional approach, we determine the relative stability of various oxygen species in alpha -quartz. We considered interstitial species in the form of atomic and molecular oxygen, as well as network species, such as peroxyl and ozonyl link- ...
The correlation between the Bostwick degree and the static rheological properties of yield stress food fuids is first revisited and then reformulated in this work. The role of the yield stress in the free surface flow of the Bostwick test is studied using ...
Photoinduced phenomena are of general interest for new materials. Recently, photoinduced molecular desorption of oxygen has been reported in carbon nanotubes. Here we present, using thermopower measurements, that carbon nanotubes when exposed simultaneousl ...
We investigate at the atomic scale the oxygen diffusion process occurring during silicon oxidation. First, we address the energetics of several oxygen species in the oxide using density-functional calculations. Our results support the interstitial O-2 mole ...
Silicon dioxide (SiO2) films grown on silicon monocrystal (Si) substrates form the gate oxides in current Si-based microelectronics devices. The understanding at the atomic scale of both the silicon oxidation process and the properties of the Si(100)-SiO2 ...
Molecular-dynamics simulations are presented for two correlation functions formed with the partial density fluctuations of binary hard-sphere mixtures in order to explore the effects of mixing on the evolution of glassy dynamics upon compressing the liquid ...
Two groups of 10 Parkinson’s disease (PD) patients and 10 age-matched Normal subjects performing normal life activities were recorded using a portable recorder and 3D gyroscopes. PD patients had sub-thalamic stimulation implantation for 20±3 months. The PD ...