Effect of nanostructures on evaporation and explosive boiling of thin liquid films: a molecular dynamics study

Molecular dynamics simulations have been employed to investigate the boiling phenomena of thin liquid films adsorbed on a nanostructured solid surface. The molecular system was comprised of the following: solid platinum wall, liquid argon, and argon vapor. A few layers of the liquid argon were placed on the nanoposts decorated solid surface. The nanoposts height was varied keeping the liquid film thickness constant to capture three scenarios: (i) liquid-film thickness is higher than the height of the nanoposts, (ii) liquid-film and nanoposts are of same height, and (iii) liquid-film thickness is less than the height of the nanoposts. The rest of the simulation box was filled with argon vapor. The simulation was started from its initial configuration, and once the equilibrium of the three phase system was established, the wall was suddenly heated to a higher temperature which resembles an ultrafast laser heating. Two different jump temperatures were selected: a few degrees above the boiling point to initiate normal evaporation and far above the critical point to initiate explosive boiling. Simulation results indicate nanostructures play a significant role in both cases: Argon responds very quickly for the nanostructured surface, the transition from liquid to vapor becomes more gradual, and the evaporation rate increases with the nanoposts height.     

Cardy-Verlinde Formula for an Axially Symmetric Dilaton-axion Black Hole

It is shown that the Bekenstein-Hawking entropy of an axially symmetric dilaton-axion black hole can be expressed as a Cardy-Verlinde formula. By utilizing first order correction in the Bekenstein-Hawking entropy we find the modified the expressions for the Casimir energy and pure extensive energy. The first order correction to the Cardy-Verlinde formula in the context of dilaton-axion black hole are obtained with the use of modified cosmic and pure extensive energies.     

Fourier Transform Infrared Spectroscopic Investigation of the Binary and Ternary Cyanide Adducts of the Oxidized Horseradish Peroxidase: Identification of a Second Stretching Mode for the Carbon-Nitrogen Bond of the Bound Cyanide Ion

The binary and ternary cyanide adducts of the ferric horseradish peroxidase were investigated by Fourier transform infrared spectroscopy. The carbon-nitrogen bond of the bound cyanide ion in the binary ferric cyanohorseradish peroxidase exhibits two stretching vibrations at 2130 cm^?1 and 2127 cm^?1 with the latter mode being observed in this work for the first time. This finding supports the results of the resonance Raman study of cyanohorseradish peroxidase, which identified two iron-carbon-nitrogen bending vibrations and two iron-carbon stretching vibrations, proving the existence of two conformational states. The identification of the latter carbon-nitrogen stretching frequency allowed the assignment of all of the vibrational modes of the iron-carbon-nitrogen groups of the two conformational states of the ferric cyanohorseradish peroxidase. The first conformer is characterized by a carbon-nitrogen stretch at 2130 cm^?1, an iron-carbon stretch at 453 cm^?1, and an iron-carbon-nitrogen bending mode at 405 cm^?1. The second state has a carbon-nitrogen stretch at 2127 cm^?1, an iron-carbon stretch at 360 cm^?1, and an iron-carbon-nitrogen bending mode at 422 cm^?1. The iron-carbon stretching band is weakly sensitive to pH changes, but it is sensitive to H₂O/D₂O substitution, indicating that the bound cyanide ion in cyanohorseradish peroxidase is hydrogen bonded to the surrounding protein. The two states were attributed to variation in the extent of hydrogen bonding of the iron-carbon-nitrogen groups in the two states. The carbon-nitrogen stretching vibrations of the ternary complexes of cyanohorseradish peroxidase with ferulic acid, benzamide, and benzhydroxamic acid have been investigated for the first time. The binding of the substrate to cyanohorseradish peroxidase does not always lead to the vanishing of one of the conformational states as in the carbon monoxide adducts of the ferrous horseradish peroxidase, but can cause shifts in the νC-N frequency and in the relative population of both conformational states.     

Crystal and molecular structure of chlorotris(triphenylarsine)Cu(1),C54H45As3CuCl

The title compound crystallizes in the monoclinic space groupP2₁/n, witha=28.494(2),b=10.148(5),c=32.172(2) Å,=94.57(1)°, andZ=8 (with two independent molecules in the asymmetric unit). The structure was solved by direct methods and refined by block-diagonal least-squares methods toR=0.057 for 12286 observed reflections. The dimensions and conformations of the two independent molecules are closely similar. The coordination around the copper and arsenic atoms is approximately tetrahedral, although distortion is considerable. Some important mean bond distances and angles with their rms standard deviations are: Cu-Cl=2.270(4), Cu-As=2.419(4), As-C=1.953(2) Å, Cl-Cu-As=105.4(1.2), and As-Cu-As=113.3(8)°.     

FTIR investigation of the conformational properties of the cyanide bound human hemoglobin

Infrared spectra at 4 cm⁻¹ resolution of the cyanide ligated human methemoglobin (Hb-CN) were examined in the C---N stretching region. The FTIR spectra of hemoglobin ligated with the various isotopomeric forms of the cyanide ion support the existence of three conformational states for Hb-CN. In potassium phosphate buffer at pH of 7.5, the three bands were observed at 2116, 2122 and 2127 cm⁻¹ for natural abundance Hb-CN. These bands shift to 2086, 2091 and 2095 cm⁻¹ for Hb-¹²C¹⁵N and 2073, 2077 and 2081 cm⁻¹ for Hb-¹³C¹⁴N. Two extra bands have been identified in the IR spectra of solid Hb-CN in KBr pellets. The peaks persist in the pH range between 3.5 and 10.5 with small changes in frequency and intensity. The appearance of several C---N stretching bands is consistent with C---N vibrators residing in different environment and support the hypothesis that Hb-CN assumes multiple conformers under the conditions studied.     

Mortar spectral element discretization of the stokes problem in axisymmetric domains

The Stokes problem in a tri‐dimensional axisymmetric domain results into a countable family of two‐dimensional problems when using the Fourier coefficients with respect to the angular variable. Relying on this dimension reduction, we propose and study a mortar spectral element discretization of the problem. Numerical experiments confirm the efficiency of this method. © 2013 Wiley Periodicals, Inc. Numer Methods Partial Differential Eq 30: 44–73, 2014     

Some new exact analytical solutions for helical flows of second grade fluids

The helical flow of a second grade fluid, between two infinite coaxial circular cylinders, is studied using Laplace and finite Hankel transforms. The motion of the fluid is due to the inner cylinder that, at time t = 0⁺ begins to rotate around its axis, and to slide along the same axis due to hyperbolic sine or cosine shear stresses. The components of the velocity field and the resulting shear stresses are presented in series form in terms of Bessel functions J₀(•), Y₀(•), J₁(•), Y₁(•), J₂(•) and Y₂(•). The solutions that have been obtained satisfy all imposed initial and boundary conditions and are presented as a sum of large-time and transient solutions. Furthermore, the solutions for Newtonian fluids performing the same motion are also obtained as special cases of general solutions. Finally, the solutions that have been obtained are compared and the influence of pertinent parameters on the fluid motion is discussed. A comparison between second grade and Newtonian fluids is analyzed by graphical illustrations.     

The hyper-Zagreb index and some graph operations

Let G be a simple connected graph. The Hyper-Zagreb index is defined as \(\textit{HM}(G)=\sum _{uv\in E_{G}}(d_{G}(u)+d_{G}(v))^2\). In this paper some exact expressions for the hyper-Zagreb index of graph operations containing cartesian product and join of n graphs, splice, link and chain of graphs will be presented. We also apply these results to some graphs to chemical and general interest, such as \(C_4\) nanotube, rectangular grid, prism, complete n-partite graph.     

Developing a Conceptual Model of STEAM Teaching Practices

STEAM, where the “A” represents arts and humanities, is considered a transdisciplinary learning process that has the potential to increase diverse participation in science, technology, engineering, and math (STEM) fields. However, a well‐defined conceptual model that clearly articulates essential components of the STEAM approach is needed to conduct empirical research on STEAM's efficacy–in particular, the teaching content that should be considered when enacting STEAM teaching practices. This paper proposes a conceptual model of STEAM, providing educators with the opportunity to teach effectively using transdisciplinary inquiry. The instructional content domain of the model includes problem‐based delivery, discipline integration, and problem‐solving skills.