Reduced coupled flapping wing-fluid computational model with unsteady vortex wake

Insect flight research is propelled by their unmatched flight capabilities. However, complex underlying aerodynamic phenomena make computational modeling of insect-type flapping flight a challenging task, limiting our ability in understanding insect flight and producing aerial vehicles exploiting same aerodynamic phenomena. To this end, novel mid-fidelity approach to modeling insect-type flapping vehicles is proposed. The approach is computationally efficient enough to be used within optimal design and optimal control loops, while not requiring experimental data for fitting model parameters, as opposed to widely used quasi-steady aerodynamic models. The proposed algorithm is based on Helmholtz–Hodge decomposition of fluid velocity into curl-free and divergence-free parts. Curl-free flow is used to accurately model added inertia effects (in almost exact manner), while expressing system dynamics by using wing variables only, after employing symplectic reduction of the coupled wing-fluid system at zero level of vorticity (thus reducing out fluid variables in the process). To this end, all terms in the coupled body-fluid system equations of motion are taken into account, including often neglected terms related to the changing nature of the added inertia matrix (opposed to the constant nature of rigid body mass and inertia matrix). On the other hand—in order to model flapping wing system vorticity effects—divergence-free part of the flow is modeled by a wake of point vortices shed from both leading (characteristic for insect flight) and trailing wing edges. The approach is evaluated for a numerical case involving fruit fly hovering, while quasi-steady aerodynamic model is used as benchmark tool with experimentally validated parameters for the selected test case. The results indicate that the proposed approach is capable of mid-fidelity accurate calculation of aerodynamic loads on the insect-type flapping wings.

     

The influence of water molecule coordination to a metal ion on water hydrogen bonds

The geometry of hydrogen bonds in the crystal structures from the Cambridge Structural Database and calculated data show that water coordination to a metal ion has a remarkable influence on hydrogen bonds. The calculated energies of hydrogen bonds of coordinated water are much stronger, even if the aqua complex is neutral.     

Theoretical calculations of CH4 and H2 associative desorption from Ni(111): could subsurface hydrogen play an important role?

The results of theoretical calculations of associative desorption of CH(4) and H(2) from the Ni(111) surface are presented. Both minimum-energy paths and classical dynamics trajectories were generated using density-functional theory to estimate the energy and atomic forces. In particular, the recombination of a subsurface H atom with adsorbed CH(3) (methyl) or H at the surface was studied. The calculations do not show any evidence for enhanced CH(4) formation as the H atom emerges from the subsurface site. In fact, there is no minimum-energy path for such a concerted process on the energy surface. Dynamical trajectories started at the transition state for the H-atom hop from subsurface to surface site also did not lead to direct formation of a methane molecule but rather led to the formation of a thermally excited H atom and CH(3) group bound to the surface. The formation (as well as rupture) of the H-H and C-H bonds only occurs on the exposed side of a surface Ni atom. The transition states are quite similar for the two molecules, except that in the case of the C-H bond, the underlying Ni atom rises out of the surface plane by 0.25 A. Classical dynamics trajectories started at the transition state for desorption of CH(4) show that 15% of the barrier energy, 0.8 eV, is taken up by Ni atom vibrations, while about 60% goes into translation and 20% into vibration of a desorbing CH(4) molecule. The most important vibrational modes, accounting for 90% of the vibrational energy, are the four high-frequency CH(4) stretches. By time reversibility of the classical trajectories, this means that translational energy is most effective for dissociative adsorption at low-energy characteristic of thermal excitations but energy in stretching modes is also important. Quantum-mechanical tunneling in CH(4) dissociative adsorption and associative desorption is estimated to be important below 200 K and is, therefore, not expected to play an important role under typical conditions. An unexpected mechanism for the rotation of the adsorbed methyl group was discovered and illustrated a strong three-center C-H-Ni contribution to the methyl-surface bonding.     

Quantum collective field and 1N correction

The collective field method and the large-N limit are applied to go beyond the Hartree-Fock approximation. The correction to the ground-state energy is presented and explicit results are calculated for interacting oscillators and the Bose gas with the δ interaction.     

Determination of coupling constants from superconvergence sum rules in vector meson — Vector meson scattering

Dynamical relations between masses and coupling constants have been studied using the superconvergent sum rule technique in vector meson — vector meson scattering. Unessential complications due to the spin have been removed by defining a set of 25 KSF invariant amplitudes. Commonly accepted analyticity properties and asymptotics estimated arguing along the line of unitarity then lead to superconvergent sum rules for three amplitudes. Their saturation by one-intermediate-particle contributions in the processesωρ→ ωρ, ωB→ωB andωA ₁→ωA ₁ results in a system of nine coupled equations which have been approximately solved for coupling constants and aρ-ω-B- A ₁ mass sum rule.     

Thermal Properties of Poly(L-lactide)/Calcium Carbonate Nanocomposites

Summary: Thermal properties of nanocomposites prepared of poly(L-lactide) (PLLA) and CaCO₃ applying differential scanning (DSC) calorimetry and thermogravimetry (TG) were studied. Nanocomposites were prepared by extrusion process at 170 °C. DSC measurements show that CaCO₃ has no influence on glass transition and melting point of PLLA but lowers its cold crystallization temperature. There is no difference in glass transition temperature of PLLA before and after extrusion. High temperature thermal stability of the PLLA in the composites is poorer than neat PLLA. Kinetic parameters also indicate greater reactivity of the system upon CaCO₃ addition.     

On the large-N limit in symplectic matrix models

We study the large-N behavior of SP(N) invariant quantum mechanical matrix models. We establish a saddle-point method through the standard collective field technique and find that it produces the correct large-N behavior. We exhibit, therefore, the semiclassical origin at the large-N limit in this model.     

New methods for the direct determination of dissolved inorganic, organic and total carbon in natural waters by Reagent-Free Ion Chromatography and inductively coupled plasma atomic emission spectrometry

New methods have been developed and applied successfully for the determination of dissolved inorganic, organic and total carbon in water samples. The new methods utilize two instrumental setups, Reagent-Free™ Ion Chromatography (RF™-IC) and inductively coupled plasma atomic emission spectrometry (ICP-AES). Dissolved inorganic carbon (DIC) was measured in untreated samples along with Cl⁻, F⁻ and SO₄²⁻ using RF™-IC and by in-line mixing with 0.1 M HNO₃ to enhance CO₂ removal in the nebulizer, followed by ICP-AES analysis. Total dissolved carbon (TDC) was measured by in-line mixing with 0.1 M NaOH following ICP-AES analysis. Dissolved organic carbon (DOC) was obtained as the difference between DIC and TDC. Only non-volatile organic carbon could be detected by the present method. The workable limits of detection obtained in the present study were 0.5 mM (RF™-IC) and 0.1 mM (ICP-AES) for dissolved inorganic and organic carbon, respectively. The power of the new methods lies in routine analysis of DIC and DOC in samples of natural waters of variable composition and salinity using analytical techniques and facilities available in most laboratories doing water sample analysis. The techniques are sensitive and precise, can be automated using gas-tight sample vials and auto-samplers, and are independent of most elemental interferences with the exception of chloride overload by saline samples when using RF™-IC. The new methods were successfully applied for analysis of DIC and DOC in selected samples of natural and synthetic waters.     

Model Simulations of the Hengill Area,Southwestern Iceland

The Hengill Area is an important energy source for Reykjavík and surrounding area, both for electricity and district space heating. Two production fields are located in the area: Nesjavellir and Hellisheiei. Two other potential production fields are believed to be in the area. We present a new conceptual model supported by numerical calculations for the entire Hengill Area. Calculations were performed using the TOUGH2{{\tt TOUGH2}} software suite. The model contains nine layers consisting of 966 elements each (total of 8,964). Geological survey data, down-hole measurements, and production histories from the fields have been used to calibrate the model. The model has been used to predict how production will affect the geothermal fields. Information gathered throughout the production history, such as drawdown and changes in enthalpy, have been used to re-evaluate the size and the production capacity of the production fields. Different production scenarios, such as different energy throughput, have been simulated. The model simulations have also been used to estimate the capacity of potential future production fields.