Effect of the free surface and the rigid plane on structural vibration and acoustic radiation

The coupled fluid-structure interaction equation is estabhshed for bodies in the half-space fluid domain, especially sitting on the infinite plane, based on the BEM (Boundary Element Method) theory. Then, the natural frequencies, vibration responses and the acoustic radiation for a box are calculated, and the effect of the free surface and the rigid plane is discussed. Finally, several relative factors including the plate thickness, the structure damping and the distance between the body and the infinite plane are studied. The results show that the effect of the free surface and the rigid plane on the structural natural frequencies, vibration responses and the acoustic radiation cannot be ignored.     

Effects of ultrasound frequency and acoustic amplitude on the size of sonochemically active bubbles – Theoretical study

Numerical simulation of chemical reactions inside an isolated spherical bubble of oxygen has been performed for various ambient bubble radii at different frequencies and acoustic amplitudes to study the effects of these two parameters on the range of ambient radius for an active bubble in sonochemical reactions. The employed model combines the dynamic of bubble collapse with the chemical kinetics of single cavitation bubble. Results from this model were compared with some experimental results presented in the literature and good apparent trends between them were observed. The numerical calculations of this study showed that there always exists an optimal ambient bubble radius at which the production of oxidizing species at the end of the bubble collapse attained their upper limit. It was shown that the range of ambient radius for an active bubble increased with increasing acoustic amplitude and decreased with increasing ultrasound frequency. The optimal ambient radius decreased with increasing frequency. Analysis of curves showing optimal ambient radius versus acoustic amplitude for different ultrasonic frequencies indicated that for 200 and 300 kHz, the optimal ambient radius increased linearly with increasing acoustic amplitude up to 3 atm. However, slight minima of optimal radius were observed for the curves obtained at 500 and 1000 kHz.     

Effect of the mesons σ* and Φ and the variety of U(N)Σ on the transition density of hyperon stars

The effect of the mesons σ* and φ and the variety of U(N)Σ on the transition density of hyperon stars is examined within the framework of relativistic mean field theory for the baryon octet {n,p,∧,∑-,∑0,∑+,Ξ- and Ξ0} system.It is found that,compared with that without considering the mesons δ* and φ,the transition density of hyperon stars decreases,the critical baryon density that hyperons Σ-,Σ0,Ξ+,Ξ- and Ξ0 appears to decrease too,but for A the effect is not obvious.As U(N)Σ goes up,the critical baryon density of Σ+,Σ0 and Σ- increases,that of Ξ0 decreases and that of A and Ξ- is fixed.In addition,it is found that the variety of U(N)Σ almost does not influence the transition density.     

Numerical study of friction-induced instability and acoustic radiation – Effect of ramp loading on the squeal propensity for a simplified brake model

This paper presents a numerical study of the influence of loading conditions on the vibrational and acoustic responses of a disc brake system subjected to squeal. A simplified model composed of a circular disc and a pad is proposed. Nonlinear effects of contact and friction over the frictional interface are modelled with a cubic law and a classical Coulomb?s law with a constant friction coefficient. The stability analysis of this system shows the presence of two instabilities with one and two unstable modes that lead to friction-induced nonlinear vibrations and squeal noise. Nonlinear time analysis by temporal integration is conducted for two cases of loadings and initial conditions: a static load near the associated sliding equilibrium and a slow and a fast ramp loading. The analysis of the time responses shows that a sufficiently fast ramp loading can destabilize a stable configuration and generate nonlinear vibrations. Moreover, the fast ramp loading applied for the two unstable cases generates higher amplitudes of velocity than for the static load cases. The frequency analysis shows that the fast ramp loading generates a more complex spectrum than for the static load with the appearance of new resonance peaks. The acoustic responses for these cases are estimated by applying the multi-frequency acoustic calculation method based on the Fourier series decomposition of the velocity and the Boundary Element Method. Squeal noise emissions for the fast ramp loading present lower or higher levels than for the static load due to the different amplitudes of velocities. Moreover, the directivity is more complex for the fast ramp loading due to the appearance of new harmonic components in the velocity spectrum. Finally, the sound pressure convergence study shows that only the first harmonic components are sufficient to well describe the acoustic response.     

A density functional theory study on the adsorption of CO and O2 on Cu-terminated Cu2O （111） surface

The adsorptions of CO and 02 molecules individually on the stoichiometric Cu-terminatcd Cu20 （111） surface are investigated by first-principles calculations on the basis of the density functional theory. The calculated results indicate that the CO molecule preferably coordinates to the Cu2 site through its C atom with an adsorption energy of-1.69 eV, whereas the 02 molecule is most stably adsorbed in a tilt type with one O atom coordinating to the Cu2 site and the other O atom coordinating to the Cul site, and has an adsorption energy of -1.97 eV. From the analysis of density of states, it is observed that Cu 3d transfers electrons to 2π orbital of the CO molecule and the highest occupied 5σ orbital of the CO molecule transfers electrons to the substrate. The sharp band of Cu 4s is delocalized when compared to that before the CO molecule adsorption, and overlaps substantially with bands of the adsorbed CO molecule. There is a broadening of the 2π orbital of the 02 molecule because of its overlapping with the Cu 3d orbital, indicating that strong 3d-2π interactions are involved in the chemisorption of the 02 molecule on the surface.     

Co-adsorption of O_2 and H_2O on α-uranium(110) surface:A density functional theory study

First-principles calculations based on density functional theory corrected by Hubbard parameter U(DFT+U) are applied to the study on the co-adsorption of O2 and H_2O molecules to α-U(110) surface. The calculation results show that DFT+U method with Ueff= 1.5 e V can yield the experimental results of lattice constant and elastic modulus of α-uranium bulk well. Of all 7 low index surfaces of α-uranium, the(001) surface is the most stable with lowest surface energy while the(110) surface possesses the strongest activity with the highest surface energy. The adsorptions of O_2 and H_2O molecules are investigated separated. The O_2 dissociates spontaneously in all initial configurations. For the adsorption of H_2O molecule,both molecular and dissociative adsorptionsoccur. Through calculations of co-adsorption, it can be confirmed that the inhibition effect of O_2 on the corrosion of uranium by water vapor originates from the preferential adsorption mechanism,while the consumption of H atoms by O atoms exerted little influence on the corrosion of uranium.     

Effect of Substituents and Dopants on the Structure–Property Relationship of Poly(Aniline)—A Comparative Study

Effects of substituents and dopants on the structure–property relationships of poly(aniline) (PANI)-type homopolymers are analyzed. The gravimetric method was used for the estimation of rate of polymerization (R_p). FTIR spectroscopy was used for the calculation of relative intensities (RI) of benzenoid (RI_[B/CH]), quinonoid (RI_[Q/CH]), and their internal conversion (RI_[B/Q]). Thermogravimetric analysis (TGA) characterized the thermal stability of PANIs. A standard four probe method was employed for the conductivity measurements. The results are analyzed and critically compared.     

Effect of ultrasound on the supercritical CO2 extraction of bioactive compounds from dedo de moça pepper (Capsicum baccatum L. var. pendulum)

Extracts with bioactive compounds were obtained from the red pepper variety “dedo de moça” (Capsicum baccatum L. var. pendulum) through supercritical fluid extraction with carbon dioxide assisted by ultrasound (SFE-US). The process was tested at pressures of 15, 20 and 25 MPa; temperatures of 40, 50 and 60 °C, and ultrasonic powers of 200, 400 and 600 W applied during 40, 60 and 80 min of extraction. The CO₂ mass flow rate was fixed at 1.7569 × 10⁻⁴ kg/s. Global yield, phenolic content, antioxidant capacity and capsaicinoid concentration were evaluated in the extracts. The application of ultrasound raised the global extraction yield of SFE up to 45%. The phenolic content of the extract increased with the application of higher ultrasound power and radiation time. The capsaicinoid yield was also enhanced with ultrasound up to 12%. However, the antioxidant capacity did not increase with the ultrasound application. The BET-based model and the broken and intact cell model fitted well to the kinetic SFE curves. The BET-based model with three adjustable parameters resulted in the best fits to the experimental data. Field emission scanning electron microscopy (FESEM) images showed that SFE disturbed the vegetable matrix, releasing particles from the inner region of the plant cells to their surface. When the ultrasound was applied this effect was more pronounced. On the other hand, cracks, fissures or any sign of rupture were not identified on the sample surface.     

A study on the spectral,microstructural, and magnetic properties of Eu–Nd double-substituted Ba0.5Sr0.5Fe12O19 hexaferrites synthesized by an ultrasonic-assisted approach

In this study, an examination on the spectral, microstructural, and magnetic characteristics of Eu–Nd double-substituted Ba_0.5Sr_0.5Fe₁₂O₁₉ hexaferrites (Ba_0.5Sr_0.5Nd_xEu_xFe_12−2xO₁₉ (x = 0.00–0.05) HFs) fabricated by an ultrasonic-assisted approach has been presented. An UZ SONOPULS HD 2070 ultrasonic homogenizer with frequency of 20 kHz and power of 70 W was used. The chemical bonding, structure and the morphology of the products were evaluated by Fourier-Transform Infrared (FT-IR) Spectroscopy, XRD (X-ray diffraction), scanning and transmission electron microscopy and techniques. The textural properties of the prepared nanomaterials were examined by using the Brunauer-Emmett-Teller (BET) method. The magnetic properties were studied using a vibrating sample magnetometer (VSM) at room temperature (RT) and low temperature 10 K. The magnitudes of various magnetic parameters including M_s (saturation magnetization), M_r (remanence) and H_c (coercivity) were estimated and evaluated. The M-H loops revealed the hard ferrimagnetic nature for all products at both temperatures. The M_s and M_r values showed a decreasing tendency with increasing degree of Eu³⁺ and Nd³⁺ substitutions whereas H_c values displayed an increasing trend. At RT, M_s, M_r and H_c values lie in the ranges of 63.0–68.8 emu·g⁻¹, 24.6–39.2 emu·g⁻¹ and 2252.4–2782.1 Oe, respectively. At 10 K, the values of M_s, M_r and H_c lie between 87.5–97.1 emu·g⁻¹, 33.5–40.1 emu·g⁻¹ and 2060.6–2417.2 Oe, respectively. The observed magnetic properties make the prepared products promising candidates to be applied in the recording media.     

The Effect of Diet Quality on δ(13)C and δ(15)N in the Tissues of Locusts, Locusta migratoria L

Abstract Locust nymphs were raised from hatching to adult locusts on either seedling wheat (C(3)) or maize (C(4)), to determine whether relative enrichments/depletions of (15)N and (13)C within body tissues are influenced by diet. The maize contained less hexose sugars and protein per gram than wheat. The isotopic spacing between the food and the whole insect was found to differ between the two diets. The lower quality maize diet showed an overall +5.1‰ enrichment in δ(15)N compared to + 2.8‰ for wheat, possibly due to increased fractionation due to protein recycling. The maize diet resulted in increased depletion in lipid and trehalose and depletion in chitin relative to diet. The results for both δ(15)N and δ(13)C suggest that substrate recycling was occurring on the low quality maize diet. Therefore diet quality determines the enrichment/depletion in δ(15)N and δ(13)C within organisms.     

Adsorption and dissociation of molecular oxygen on α-Pu (0 2 0) surface: A density functional study

Molecular and dissociative oxygen adsorptions on the α-Pu (0 2 0) surface have been systematically studied using the full-potential linearized augmented-plane-wave plus local orbitals (FP-LAPW+lo) basis method and the Perdew-Burke-Ernzerhof (PBE) exchange-correlation functional. Chemisorption energies have been optimized for the distance of the admolecule from the Pu surface and the bond length of O-O atoms for four adsorption sites and three approaches of O₂ admolecule to the (0 2 0) surface. Chemisorption energies have been calculated at the scalar relativistic level with no spin-orbit coupling (NSOC) and at the fully relativistic level with spin-orbit coupling (SOC). Dissociative adsorptions are found at the two horizontal approaches (O₂ is parallel to the surface and perpendicular/parallel to a lattice vector). Hor2 (O₂ is parallel to the surface and perpendicular to a lattice vector) approach at the one-fold top site is the most stable adsorption site, with chemisorption energies of 8.048 and 8.415 eV for the NSOC and SOC cases, respectively, and an OO separation of 3.70 Å. Molecular adsorption occurs at the Vert (O₂ is vertical to the surface) approach of each adsorption site. The calculated work functions and net spin magnetic moments, respectively, increase and decrease in all cases upon chemisorption compared to the clean surface. The partial charges inside the muffin-tins, the difference charge density distributions, and the local density of states have been used to investigate the Pu-admolecule electronic structures and bonding mechanisms.     

A first principles study of the adsorption and dissociation of CO<Subscript>2</Subscript> on the δ-Pu (111) surface

A complete understanding of the nature of the 5f electrons has been and continues to be a major scientific problem in condensed matter physics. Bulk and surface electronic structure studies of the actinides as also atomic and molecular adsorptions on the actinide surfaces provide a path towards this understanding. In this work, ab initio calculations within the framework of density functional theory have been used to study the adsorption of molecular CO₂ and the corresponding partially dissociated (CO + O) and completely dissociated (C + O + O) products on the δ-Pu (111) surface. The completely dissociated C + O + O configurations exhibit the strongest binding with the surface (7.92 eV), followed by partially dissociated products CO + O (5.08 eV), with molecular CO₂ adsorption having the lowest binding energies (2.35 eV). For all initial vertically upright orientations, the CO₂ molecule physisorbs or do not bind to the surface and the geometry and orientation do not change. For all initial flat lying orientations chemisorption occurs, with the final state corresponding to a bent CO₂ molecule with bond angles of 117°–130° and the elongation of the CO bond. For CO + O co-adsorption, the stable configurations corresponded to CO dipole moment orientations of 100°–172° with respect to the surface normal and the elongation of the CO bond. The most stable chemisorption cases correspond to anomalously large rumpling of the top Pu layer. The interactions of the CO₂ and CO with the Pu surface have been analyzed using the energy density of states and difference charge density distributions. The nature and the behavior of the 5f electrons have also been discussed in detail in the context of this study.     

The effect of Ag adsorption on the structural,electronic, and optical properties of the ZnO(101̅0) surface: A first-principles study

The effect of the Ag adsorption on the structural, electronic and optical properties of the clean ZnO$(10\bar{1}0)$ surface was investigated using the first principles method. The obtained results show that adsorbed Ag atoms transfer charge to the surface which results in a charge accumulation in near-surface region accompanied with a decrease of the work function. On the other hand, our results show that the adsorption of Ag atoms leads also to the new optical absorption peaks in the visible region which could improve ZnO photocatalytical properties.     

Comments on ‘‘Effect of the surface free energy on the behaviour of surface and guided waves”, by V. Vlasie Belloncle,M. Rousseau,Ultrasonics, 45 (2006) 188–195

In this short communication, it is demonstrated that the main results obtained by the authors of the commented paper, ‘‘Effect of the surface free energy on the behaviour of surface and guided waves”, by V. Vlasie Belloncle, M. Rousseau Ultrasonics, 45 (2006) 188–195, have been well-established long before publication of this paper. Therefore, the claim to novelty asserted by the authors is incorrect.     

The (2 × 2) reconstructions on the SrTiO3 (001) surface: A combined scanning tunneling microscopy and density functional theory study

Scanning tunneling microscopy study showed that the (2 × 2) reconstruction on the (001) surface of SrTiO₃ should have a surface structure with a 4-fold symmetry. The previously proposed solution for the (2 × 2) reconstruction with the p2gm symmetry only has a 2-fold symmetry. In this study density functional theory study was carried out to propose a possible surface structure with the p4mm surface symmetry which matches the scanning tunneling microscopy images and suggests that two different (2 × 2) surface structures exist. The formation of the (2 × 2) reconstruction with the p4mm symmetry may be due to the kinetics as it has slightly higher surface energy than the one with the p2gm symmetry.     

Sum frequency generation (SFG) – surface vibrational spectroscopy studies of buried interfaces: catalytic reaction intermediates on transition metal crystal surfaces at high reactant pressures; polymer surface structures at the solid–gas and solid–liquid interfaces

SFG spectra of polyethylene and polypropylene show monolayer sensitivity and reveal temperature-dependent changes of surface structure. For polymer blends, the hydrophobic component segregates to the solid–air interface, and the hydrophilic component segregates at the solid–water interface. Changes in SFG spectra of polymer blends as a function of bulk concentration correlate with changes of contact angle. SFG is an excellent probe of surface-structure and surface-composition changes as the polymer interface is altered. Received: 20 September 1998     

Effect of γ-irradiation and semiconducting oxide (tio2) on the thermal decomposition of mgc2o4: A comparative study

The simultaneous rising temperature (DTA-TG) technique and the gas evolution method are adopted for studying the thermal decomposition of unirradiated and irradiated MgC₂O₄ and MgC₂O₄ + TiO₂ mixtures. The data are applied to theories of different solid state reaction models and the best fit is obtained for the Avrami-Erofeev mechanism (n=2) suggesting that both the nucleation and growth processes occur at the reactant product interface in a two dimensional chain branching manner. Low irradiation doses decrease the rate of reaction remarkably whereas the reverse phenomenon takes place at higher doses. The n-type semiconducting oxide, TiO₂ (5-40 mol%) enhances the rate of decomposition which increases with increasing concentration of the catalyst. The influence of n -irradiation is explained in the light of defects, dislocations and electron-hole (e^?, h⁺) pairs generated in the lattice, whereas the influence of TiO₂ is understood on the basis of electron transfer process involved in the reaction.     

Tautomerization and solvent effects on the absorption and emission properties of the Schiff base N,N′-bis(salicylidene)-p-phenylenediamine – A TDDFT study

Time-dependent density functional theory combined with a polarized continuum model has been applied to study solvent effects on the geometrical and energetic properties, as well as the absorption and emission properties, of three tautomeric forms of N,N′-bis(salicylidene)-p-phenylenediamine (BSP). The calculated properties are in agreement with the available experimental data. It was observed that the solvent environment does not affect the vertical excitation energies significantly, whereas tautomerization strongly affects both the absorption and emission spectra of BSP.     

A density functional theory study on the adsorption of CO and O₂ on Cu-terminated Cu₂O（111） surface

The adsorptions of CO and O2 molecules individually on the stoichiometric Cu-terminated Cu2O(111) surface are investigated by first-principles calculations on the basis of the density functional theory.The calculated results indicate that the CO molecule preferably coordinates to the Cu2 site through its C atom with an adsorption energy of -1.69 eV,whereas the O2 molecule is most stably adsorbed in a tilt type with one O atom coordinating to the Cu2 site and the other O atom coordinating to the Cu1 site,and has an adsorption energy of -1.97 eV.From the analysis of density of states,it is observed that Cu 3d transfers electrons to 2π orbital of the CO molecule and the highest occupied 5σ orbital of the CO molecule transfers electrons to the substrate.The sharp band of Cu 4s is delocalized when compared to that before the CO molecule adsorption,and overlaps substantially with bands of the adsorbed CO molecule.There is a broadening of the 2π orbital of the O2 molecule because of its overlapping with the Cu 3d orbital,indicating that strong 3d-2π interactions are involved in the chemisorption of the O2 molecule on the surface.