Abstract: Empirical force fields and density functional theory
(DFT) was used to study the binding energies and structures of
methylamine on the surface of activated carbons (ACs). This is a first
step in studying the adsorption of alkyl amines on the surface of
functionalized ACs. The force fields used were Dreiding (DFF),
Universal (UFF) and Compass (CFF) models. The generalized
gradient approximation with Perdew Wang 91 (PW91) functional
was used for DFT calculations. In addition to obtaining the aminecarboxylic
acid adsorption energies, the results were used to establish
reliability of the empirical models for these systems. CFF predicted a
binding energy of -9.227 (kcal/mol) which agreed with PW91 at -
13.17 (kcal/mol), compared to DFF 0 (kcal/mol) and UFF -0.72
(kcal/mol). However, the CFF binding energies for the amine to ester
and ketone disagreed with PW91 results. The structures obtained
from all models agreed with PW91 results.
Abstract: The present work deals with the calculation of
transport properties of Hg0.8Cd0.2Te (MCT) semiconductor in
degenerate case. Due to their energy-band structure, this material
becomes degenerate at moderate doping densities, which are around
1015 cm-3, so that the usual Maxwell-Boltzmann approximation is
inaccurate in the determination of transport parameters. This problem
is faced by using Fermi-Dirac (F-D) statistics, and the non-parabolic
behavior of the bands may be approximated by the Kane model. The
Monte Carlo (MC) simulation is used here to determinate transport
parameters: drift velocity, mean energy and drift mobility versus
electric field and the doped densities. The obtained results are in
good agreement with those extracted from literature.
Abstract: Composite steel shear wall is a lateral load resisting system which consists of a steel plate with concrete wall attached to one or both sides to prevent it from elastic buckling. The composite behavior is ensured by utilizing high-strength bolts. This paper investigates the effect of distance between bolts, and for this purpose 14 one-story one-bay specimens with various bolts spacing were modeled by finite element code which is developed by the authors. To verify the model, numerical results were compared with a valid experiment which illustrate proper agreement. Results depict increasing the distance between bolts would improve the seismic ever, this increase must be limited, because of large distances will cause widespread buckling of the steel plate in free subpanels between bolts and would result in no improvement. By comparing the results in elastic region, it was observed initial stiffness is not affected by changing the distance.
Abstract: The usual method of river flow diversion involves construction of tunnels and cofferdams. Given the fact that the cost of diversion works could be as high as 10-20% of the total dam construction cost, due attention should be paid to optimum design of the diversion works. The cost of diversion works depends, on factors, such as: the tunnel dimensions and the intended tunneling support measures during and after excavation; quality and characterizes of the rock through which the tunnel should be excavated; the dimensions of the upstream (and downstream) cofferdams; and the magnitude of river flood the system is designed to divert. In this paper by use of the cost of unit prices for tunnel excavation, tunnel lining, tunnel support (rock bolt + shotcrete) and cofferdam fill the cost function was determined. The function is then minimized by the aid of PSO Algorithm (particle swarm optimization). It is found that the optimum diameter and the total diversion cost are directly related to the river flood discharge (Q). It has also shown that in addition to optimum diameter design discharge (Q), river length, tunnel length, is mainly a function of the ratios (not the absolute values) of the unit prices and does not depend on the overall price levels in the respective country. The results of optimization use in some of the case study lead us to significant changes in the cost.
Abstract: Dust acoustic solitary waves are studied in warm
dusty plasma containing negatively charged dusts, nonthermal ions
and Boltzmann distributed electrons. Sagdeev pseudopotential
method is used in order to investigate solitary wave solutions in the
plasmas. The existence of compressive and rarefractive solitons is
studied.
Abstract: Multi-site damage (MSD) has been a challenge to
aircraft, civil and power plant structures. In real life components are subjected to cracking at many vulnerable locations such as the bolt
holes. However, we do not consider for the presence of multiple cracks. Unlike components with a single crack, these components are
difficult to predict. When two cracks approach one another, their
stress fields influence each other and produce enhancing or shielding effect depending on the position of the cracks. In the present study,
numerical studies on fracture analysis have been conducted by using
the developed code based on the modified virtual crack closure integral (MVCCI) technique and finite element analysis (FEA) software ABAQUS for computing SIF of plates with multiple cracks.
Various parametric studies have been carried out and the results have
been compared with literature where ever available and also with the solution, obtained by using ABAQUS. By conducting extensive
numerical studies expressions for SIF have been obtained for collinear cracks and non-aligned cracks.
Abstract: Although many studies on the assembly technology of
the bridge construction have dealt mostly with on the pier, girder or the
deck of the bridge, studies on the prefabricated barrier have rarely been
performed. For understanding structural characteristics and
application of the concrete barrier in the modular bridge, which is an
assembly of structure members, static loading test was performed.
Structural performances as a road barrier of the three methods,
conventional cast-in-place(ST), vertical bolt connection(BVC) and
horizontal bolt connection(BHC) were evaluated and compared
through the analyses of load-displacement curves, strain curves of the
steel, concrete strain curves and the visual appearances of crack
patterns. The vertical bolt connection(BVC) method demonstrated
comparable performance as an alternative to conventional
cast-in-place(ST) while providing all the advantages of prefabricated
technology. Necessities for the future improvement in nuts
enforcement as well as legal standard and regulation are also
addressed.
Abstract: In this paper, fluid flow patterns of steady incompressible flow inside shear driven cavity are studied. The numerical simulations are conducted by using lattice Boltzmann method (LBM) for different Reynolds numbers. In order to simulate the flow, derivation of macroscopic hydrodynamics equations from the continuous Boltzmann equation need to be performed. Then, the numerical results of shear-driven flow inside square and triangular cavity are compared with results found in literature review. Present study found that flow patterns are affected by the geometry of the cavity and the Reynolds numbers used.