Size dependent surface energy of nanoplates: Molecular dynamics and nanoscale continuum theory correlations

A nanoscale gradient continuum theory along with molecular dynamics simulations are employed to investigate the size-dependent surface energy of nanoplates. Molecular dynamics simulations reveal that upon nanoplate thickness reduction, the redistribution of surface energy density along thickness direction causes the decrease of the surface energy of nanoplate free surfaces. Via introducing a calibration benchmark, the length scale model parameter of the gradient continuum theory is methodically determined. The calibrated continuum theory is shown to well predict the size-dependent surface energy and the associated redistribution of surface energy density within nanoplates.     

Effects of QCD Vacuum and the Instanton Induced-Contributions to the Nucleon Structure Functions

The instanton induced cross section in deep inelastic kinematics is a subject which people are tendentious to investigate it. Instanton induced contributions are well defined for the nucleon structure function. The non-perturbative contribution to the quark distributions of structure function, F2 (x, Q2 ), is considered within an instanton model for the QCD vacuum. We find that the structure function may possess numerically large non-perterbative contributions which are related to the violation of chirality and correspond to the correction of parton distribution of the leading twist. It is shown that the instantons give a negative contribution to the structure function at the NLO approximation. A comparison between our results, considering instantaon effect, and the case when we do not take this effect is done. Taking into account the instanton size, ρ, via the modified running coupling constant we get to a good agreement between our results at the NLO and NNLO approximations and the available experimental data, specially at the low values of the Bjorken variable x0.1 which confirms the validity of our calculations.     

Electro-optical Kerr effect of azo-dye-doped liquid crystals using nulled intensity method

ABSTRACT

The electro-optical Kerr effect and pre-transition behavior have been investigated for different concentration of dimethyl-aminoazobenzene dye-doped nematic liquid crystal by using the nulled intensity method. Measurement results have showed that the molecular reorientation of liquid crystals induced by photoisomerization of azo dyes come about to increase an amount of Kerr constant at low percentages of dye concentration. Additionally, the results of pre-transition temperature which were obtained by extrapolating the invers Kerr constant as a function of temperature have been found to be in good agreement with predictions of the Landau-De Gennes model.     

Thermodynamics of higher dimensional topological charged AdS black branes in dilaton gravity

In this paper, we study topological AdS black branes of (n+1)-dimensional Einstein–Maxwell-dilaton theory and investigate their properties. We use the area law, surface gravity and Gauss law interpretations to find entropy, temperature and electrical charge, respectively. We also employ the modified Brown and York subtraction method to calculate the quasilocal mass of the solutions. We obtain a Smarr-type formula for the mass as a function of the entropy and the charge, compute the temperature and the electric potential through the Smarr-type formula and show that these thermodynamic quantities coincide with their values which are calculated through using the geometry. Finally, we perform a stability analysis in the canonical ensemble and investigate the effects of the dilaton field and the size of black brane on the thermal stability of the solutions. We find that large black branes are stable but for small black brane, depending on the value of dilaton field and type of horizon, we encounter with some unstable phases.     

Taub–NUT black holes in third order Lovelock gravity

We consider the existence of Taub–NUT solutions in third order Lovelock gravity with cosmological constant, and obtain the general form of these solutions in eight dimensions. We find that, as in the case of Gauss–Bonnet gravity and in contrast with the Taub–NUT solutions of Einstein gravity, the metric function depends on the specific form of the base factors on which one constructs the circle fibration. Thus, one may say that the independence of the NUT solutions on the geometry of the base space is not a robust feature of all generally covariant theories of gravity and is peculiar to Einstein gravity. We find that when Einstein gravity admits non-extremal NUT solutions with no curvature singularity at r=N$r=N$, then there exists a non-extremal NUT solution in third order Lovelock gravity. In 8-dimensional spacetime, this happens when the metric of the base space is chosen to be CP³${\mathbb{CP}}^3$. Indeed, third order Lovelock gravity does not admit non-extreme NUT solutions with any other base space. This is another property which is peculiar to Einstein gravity. We also find that the third order Lovelock gravity admits extremal NUT solution when the base space is T²×T²×T²$T^2\times T^2\times T^2$ or S²×T²×T²$S^2\times T^2\times T^2$. We have extended these observations to two conjectures about the existence of NUT solutions in Lovelock gravity in any even-dimensional spacetime.     

Noncommutative Geometry and Classical Orbits of Particles in a Central Force Potential

We investigate the effect of the noncommutative geometry on the classical orbits of particles in a central force potential The relation is implemented through the modified commutation relations [xi,xj] = iθij. Comparison with observations places severe constraints on the value of the noncommutativity parameter.     

Image-guided optical spectroscopy provides molecular-specific information in vivo: MRI-guided spectroscopy of breast cancer hemoglobin, water, and scatterer size

A multimodality instrument that integrated optical or near-infrared spectroscopy into a magnetic resonance imaging (MRI) breast coil was used to perform a pilot study of image-guided spectroscopy on cancerous breast tissue. These results are believed to be the first multiwavelength spectroscopic images of breast cancer using MRI-guided constraints, and they show the cancer tumor to have high hemoglobin and water values, decreased oxygen saturation, and increased subcellular granularity. The use of frequency-domain diffuse tomography methods at many wavelengths provides the spectroscopy required for recovering maps of absorbers and scattering spectra, but the integration with MRI allows these data to be recovered on an image field that preserves high resolution and fuses the two data sets together. Integration of molecular spectroscopy into standard clinical MRI can be achieved with this approach to spectral tomography.     

Modeling adsorption in binary associating solvents using the extended MPTA model

Application of the MPTA model has been extended to associative liquid adsorption. The MPTA model describes fluid–fluid interactions using an equation of state (EoS) term, and fluid–solid interactions using a potential equation. In order to extend the application to associative liquid adsorption, an association term has been considered for fluid–fluid interactions. Sixteen binary mixtures containing associating and non-associating components in equilibrium with various adsorbents have been studied; fluid–fluid interactions have been modeled using the Peng–Robinson, Soave–Redlich–Kwong, volume-translated SRK and CPA equations of state, while the effects of fluid–solid interactions have been taken into account using Dubinin–Radushkevich–Astakhov (DRA) and Steele potential functions. The model parameters have been obtained by fitting the model to experimental data on surface excess. For the studied systems, the accuracy of fitted isotherms has been found to be more dependent on the fluid–solid potential equation rather than the applied EoS. Calculations show that the SRK equation is a suitable choice for non-associating systems, while the CPA equation is found to be more appropriate for associating systems, as would be expected. The results also show that the Steele potential function is in better agreement with experimental data than the DRA potential function.     

Preparation and characterization of multi-walled carbon nanotubes (MWCNTs), functionalized with phosphonic acid (MWCNTs–C–PO3H2) and its application as a novel,efficient, heterogeneous,highly selective and reusable catalyst for acetylation of alcohols,phenols, aromatic amines,and thiols

A novel, efficient, heterogeneous, and reusable multi-walled carbon nanotubes (MWCNTs), functionalized with phosphonic acid (MWCNTs–C–PO₃H₂) has been synthesized. The synthesized CNTs were characterized using some electron microscopic techniques such as scanning electron microscopy (SEM), atomic force microscopy (AFM), Energy dispersive X-ray spectroscopy (EDAX), and also some thermal and spectroscopic methods such as thermogravimetry (TG). The nitrogen adsorption behavior of the MWCNTs–C–PO₃H₂ catalyst was evaluated using the TG instrumentation system at 25 °C. The catalyst was applied successfully for highly efficient and selective acetylation of alcohols, phenols, thiols and aromatic amines with acetic anhydride at room temperature under solvent-free conditions. The reusability of the catalyst was checked and the recovered catalyst was reused for five runs without significant loss in activity.