Mechanical properties of carbynes investigated by ab initio total-energy calculations

As sp carbon chains (carbynes) are relatively rigid molecular objects, can we exploit them as construction elements in nanomechanics? To answer this question, we investigate their remarkable mechanical properties by ab-initio total-energy simulations. In particular, we evaluate their linear response to small longitudinal and bending deformations and their failure limits for longitudinal compression and elongation.Comment: 6 pages, 4 figures, 1 tabl

Quantized vortices in two dimensional solid 4He

Diagonal and off-diagonal properties of 2D solid 4He systems doped with a quantized vortex have been investigated via the Shadow Path Integral Ground State method using the fixed-phase approach. The chosen approximate phase induces the standard Onsager-Feynman flow field. In this approximation the vortex acts as a static external potential and the resulting Hamiltonian can be treated exactly with Quantum Monte Carlo methods. The vortex core is found to sit in an interstitial site and a very weak relaxation of the lattice positions away from the vortex core position has been observed. Also other properties like Bragg peaks in the static structure factor or the behavior of vacancies are very little affected by the presence of the vortex. We have computed also the one-body density matrix in perfect and defected 4He crystals finding that the vortex has no sensible effect on the off-diagonal long range tail of the density matrix. Within the assumed Onsager Feynman phase, we find that a quantized vortex cannot auto-sustain itself unless a condensate is already present like when dislocations are present. It remains to be investigated if backflow can change this conclusion.Comment: 4 pages, 3 figures, LT26 proceedings, accepted for publication in Journal of Physics: Conference Serie

Some remarks on the chemical potential of a system in an external field

The chemical potential change provides a criterion for predicting the spontaneity of any physical and chemical process. If asked to calculate the chemical potential change of a system in which several forces vary, a student might find the task quite complicate at first glance. However, the chemical potential is a state function. This property permits a precise definition of the contribution of each force to the chemical potential when all other relevant parameters are kept constant. The total chemical potential change can easily be calculated by summing up the above contributions. After a brief review of the role played by some parameters of the system, like activity (a) of the components, temperature (T), pressure (p) and surface tension (gamma), as well as of external fields, i.e. gravitational (Mgh), centrifugal (Mcp) and electric field (Fz(i) Phi), an equation for the computation of the chemical potential (mu) including all the above contributes is reported:-, where refers not only to p = p degrees = 1 bar but also to a chosen value of T, h, rho, Phi and r. Finally, applicative examples are illustrated.The chemical potential change provides a criterion for predicting the spontaneity of any physical and chemical process. If asked to calculate the chemical potential change of a system in which several forces vary, a student might find the task quite complicate at first glance. However, the chemical potential is a state function. This property permits a precise definition of the contribution of each force to the chemical potential when all other relevant parameters are kept constant. The total chemical potential change can easily be calculated by summing up the above contributions. After a brief review of the role played by some parameters of the system, like activity ( of the components, temperature (T), pressure (p) and surface tension (), as well as of external fields, i.e. gravitational (ℎ, centrifugal () and electric field (Φ), an equation for the computation of the chemical potential (µ) including all the above contributes is reported: °′ ° ° ℎ Φ 2 , where ° refers not only to p = p° =1 bar but also to a chosen value of T, h, ρ, Φ and r. Finally, applicative examples are illustrated

Sorption of Metaldehyde using granular activated carbon

In this work the ability of granular activated carbon (GAC) to sorb metaldehyde was evaluated. The kinetic data could be described by an intra-particle diffusion model which indicated that the porosity of the sorbent strongly influenced the rate of sorption. The analysis of the equilibrium sorption data revealed that ionic strength and temperature did not play any significant role in the metaldehyde uptake. The sorption isotherms were successfully predicted by the Freundlich model. The GAC used in this paper exhibited a higher affinity and sorption capacity for metaldehyde with respect to other GACs studied in previous works, probably as a result of its higher specific surface area

Diclofenac sorption from synthetic water: Kinetic and thermodynamic analysis

This work investigated diclofenac sorption on 0.5g L-1 activated carbon in a range of temperature (288-318K) and of initial sorbate concentration (24-218mgL-1). Thermodynamic modelling was carried out with the Langmuir isotherm. For kinetic modelling we compared the so-called Diffusion-Controlled Langmuir Kinetics (DCLK) and the pseudo-second order (PSO) model. The maximum sorption capacity of the sorbent, equal to 180mgg-1, was independent of temperature. Experimental data fitted well with both kinetic models, yet the DCLK model was found to be more informative about the mechanism of the process. Kinetic parameters (α, β) increased with the temperature, with α value rising from 5×10-5 to 20×10-5 L mg-1min-0.5, and β value rising from 3×10-6 to 20×10-6 L mg-1min-1 in the temperature range investigated

Combined effects due to phase, intensity and contrast in electrooptic modulation. Application to ferroelectric materials

The combination of phase, intensity, and contrast effects during electrooptic modulation is theoretically and exper- imentally investigated. One consequence of this combination is the modification of the amplitude of the single-frequency signals which are commonly used as working points for electrooptic mod- ulators and for the measurements of the electrooptic coefficients. Another consequence of direct intensity modulation is to shift the double-frequency points of the transfer function from the positions they normally occupy at the intensity extrema. They can even make them disappear if the direct intensity modulation is stronger than the phase modulation. Such phenomena are expected with any ferroelectric material in which a significant part of the incident light is deflected or scattered by domain walls or grain boundaries. They can lead to considerable mistakes in the determination of the electrooptic coefficients. Appropriate procedures to extract the different contributions are explained. Experimental results in rubidium hydrogen selenate are given, and consequences of the working of electrooptic modulators are discussed

The molecular gas properties in local Seyfert 2 galaxies

Aims. We present a multiwavelength study of the molecular gas properties of a sample of local Seyfert 2 galaxies to assess if, and to what extent, the presence of an active galactic nucleus (AGN) can affect the interstellar medium (ISM) properties in a sample of 33 local Seyfert 2 galaxies. Methods. We compare the molecular gas content (MH2) derived from new and archival low-J CO line measurements of a sample of AGN and a control sample of star-forming galaxies (SFGs). Both the AGN and the control sample are characterized in terms of host-galaxy properties, for example stellar and dust masses (M* and Mdust, respectively) and the star formation rate (SFR). We also investigate the effect of AGN activity on the emission of polycyclic aromatic hydrocarbon (PAH) molecules in the mid-infrared (MIR), a waveband where the dust-reprocessed emission from the obscured AGN contributes the most. Result. The AGN hosted in less massive galaxies (i.e., M* < 1010.5 M⊙; Mdust < 107.5 M⊙) show larger molecular gas contents with respect to SFGs that have the same stellar and dust masses. When comparing their depletion times (tdep ≈ MH2/SFR), AGN show tdep ∼ 0.3-1.0 Gyr, similar to the times observed in the control sample of SFGs. Seyfert 2 galaxies show fainter PAH luminosity the larger the dominance of the nuclear activity in the MIR. Conclusions. We find no clear evidence for a systematic reduction in the molecular gas reservoir at galactic scales in Seyfert galaxies with respect to SFGs. This is in agreement with recent studies that show that molecular gas content is only reduced in sub-kiloparsec-sized regions, where emission from the accreting supermassive black hole dominates. Nonetheless, we show that the impact of AGN activity on the ISM is clearly visible as a suppression of the PAH luminosity

The SOCS3-independent expression of IDO2 supports the homeostatic generation of T regulatory cells by human dendritic cells.

Dendritic cells (DCs) are professional APCs that have a role in the initiation of adaptive immune responses and tolerance. Among the tolerogenic mechanisms, the expression of the enzyme IDO1 represents an effective tool to generate T regulatory cells. In humans, different DC subsets express IDO1, but less is known about the IDO1-related enzyme IDO2. In this study, we found a different pattern of expression and regulation between IDO1 and IDO2 in human circulating DCs. At the protein level, IDO1 is expressed only in circulating myeloid DCs (mDCs) and is modulated by PGE2, whereas IDO2 is expressed in both mDCs and plasmacytoid DCs and is not modulated by PGE2. In healthy subjects, IDO1 expression requires the presence of PGE2 and needs continuous transcription and translation, whereas IDO2 expression is constitutive, independent from suppressor of cytokine signaling 3 activity. Conversely, in patients suffering from inflammatory arthritis, circulating DCs express both IDO1 and IDO2. At the functional level, both mDCs and plasmacytoid DCs generate T regulatory cells through an IDO1/IDO2-dependent mechanism. We conclude that, in humans, whereas IDO1 provides an additional mechanism of tolerance induced by proinflammatory mediators, IDO2 is stably expressed in steady-state conditions and may contribute to the homeostatic tolerogenic capacity of DCs

Nanoselective area growth of GaN by metalorganic vapor phase epitaxy on 4H-SiC using epitaxial graphene as a mask

International audienceWe report the growth of high-quality triangular GaN nanomesas, 30-nm thick, on the C-face of 4H-SiC using nano selective area growth (NSAG) with patterned epitaxial graphene grown on SiC as an embedded mask. NSAG alleviates the problems of defective crystals in the heteroepitaxial growth of nitrides, and the high mobility graphene film can readily provide the back low-dissipative electrode in GaN-based optoelectronic devices. The process consists in first growing a 5-8 graphene layers film on the C-face of 4H- SiC by confinement-controlled sublimation of silicon carbide. The graphene film is then patterned and arrays of 75-nanometer-wide openings are etched in graphene revealing the SiC substrate. 30-nanometer-thick GaN is subsequently grown by metal organic vapor phase epitaxy. GaN nanomesas grow epitaxially with perfect selectivity on SiC, in openings patterned through graphene, with no nucleation on graphene. The up-or-down orientation of the mesas on SiC, their triangular faceting, and cross-sectional scanning transmission electron microscopy show that they are biphasic. The core is a zinc blende monocrystal surrounded with single-crystal hexagonal wurtzite. The GaN crystalline nanomesas have no threading dislocations, and do not show any V-pit. This NSAG process potentially leads to integration of high-quality III-nitrides on the wafer scalable epitaxial graphene / silicon carbide platform

Dynamical response function in sodium and aluminum from time-dependent density-functional theory

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