• Bulletin of the Korean Chemical Society
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• v.32 no.10
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• pp.3614-3617
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• 2011

A density functional theory method with the local basis set was employed to perform slab calculations to study thiolate-induced surface reconstruction structures of butylthiolates (ButS) with c($4{\times}2$) superlattice of the Au(111) surface. The slab calculations indicate that the most stable adsorption structure is the ButS-Au (adatom)-SBut complex form, which is in good agreement with the reported experiments and theoretical results for thiolates with shorter alkyl chains. The cis form of ButS-Au (adatom)-SBut motifs is preferred by 0.11 eV with respect to the trans form, and by 0.15 eV over the mixed cis-trans configurations due to the steric hindrance between adjacent butyl groups. It appears that the motif of Au adatom on the Au(111) surface is favored even for butylthiolate.

• Proceedings of the Korean Institute of Electrical and Electronic Material Engineers Conference
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• 1995.05a
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• pp.73-76
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• 1995

In this study, the slab waveguide was fabricated using potassium-nitride(KNO$_3$) or silver-nitride (AgNO$_3$) molten sources by ion-exchange process. The effective refractive indices of waveguide were measured by Prism-Coupling method. and The characteristics of waveguide(mode dispersion, effective diffusion depth. surface refractive index, diffusion coefficient, and refractive index profile etc,) were investigated by WKB method, In the case of potassium ion-exchange, the computer calculation showed that the refractive index profile of waveguide followed Gaussian function, the surface refractive index increased with ion-exchange time and the effective diffusion depth increased a little as ion-exchange time increased, while the surface refractive index of silver ion-exchanged waveguide decreased with ion-exchange time because of the ion depletion on the surface of waveguide, and the effective diffusion depth seriously with ion-exchange tim. Double ion-exchanged waveguide was fabricated by performing silver ion-exchange after potassium ion-exchange. Double ion-exchanged waveguide had a tight mode binding force since the surface refractive index was larger than single step ion-exchanged waveguide.

• Proceedings of the Korean Vacuum Society Conference
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• 2000.02a
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• pp.142-142
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• 2000

We performed a total energy calculation of clean alumunum surfaces of three low indices based on a density functional theory with a local density approximation, using the Ceperly-Alder exhange correlation parametrized by Perdew and Zunger. Pseudopotentials were generated for Al of which the plane wave cut-off was 15Ry. We used Gaussian broadening of a Fermi level to accelerate the convergence of our calculation with the Gaussian energy smearing parameter of 0.005Ry. First, we determine the lattice constant of the aluminum of an face-centered-cubic structure to be 3.96 which is comparable to the experimental data of 4.05 . The cohesive energy of 4.20eV/atom and the bulk modulus of 0.775$\times$1012dyne/cm2 are also comparable to the experimental values of 3.39eV/atom and 0.772$\times$1012dyne/cm2, respectively. Then we investigated the surface relaxation of (100), (110) and (111) surfaces using a 9-layer slab separated by 6-layer thick vacuum. The results are consistent with the existing experimental results.

• Journal of the Korea Concrete Institute
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• v.11 no.5
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• pp.33-40
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• 1999

An improved finite element modeling technique is proposed for the assessment of load carrying capacity of partially prestressed concrete girder bridges. Based on the finite element method of analysis, shell and frame elements are used to model the slab and girders of the superstructure, respectively. In the modeling of superstructure, the emphasis is placed on the use of rigid link between the middle surface of slab an mid-plane of girder. This paper also includes the comparision of three different equations that are used in the calculation of effective moment of inertia for the partially prestressed concrete girders. Numerical analysis is performed for the unstrengthened and strengthened bridges. The obtained results are compared with those of load test for a prototype bridge. A good agreement is achieved between the numerical solutions by using the proposed method load test results.

• Proceedings of the Korea Concrete Institute Conference
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• 1999.04a
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• pp.399-404
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• 1999

An improved finite element modeling technique is proposed for the assessment of load carrying capacity partilly prestressed concrete beam bridges. Based on the finite element method of analysis, shell and frame elements are utilized to model the slab and beams of the superstructure, respectively. In the modeling of superstructure, the emphasis is placed on the use of rigid link between the middle surface of slab and mid-plane of beam. This paper also includes the comparision of three different equations that used in the calculation of effective moment of inertia for the partially prestressed concrete beams. Numerical analysis is performed for the unstrengthened and strengthened bridges. The obtained results are compared with those of load test for a prototype bridge. Agreement with the numerical solutions by using the proposed method and load test results is generally excellent.

• The Transactions of the Korean Institute of Electrical Engineers
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• v.38 no.4
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• pp.307-315
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• 1989

In this paper, we have analyzed the temperature variation trend of a slab on between the process of reheating furnace and the termination of roughing mill process during hot rolling process. 1) cooling by radiation and convection current in the air, 2) plastic deformation heat, 3) cooling by descaling water, 4) cooling by contact with rolling rolls and/or transmitting rolls. For the analysis, the factors have been adopted as the problems of the rolling process to be solved such that we have established an application technique in relation to the determination of boundary conditions on the slab surface. We have presented a procedure for an analysis of the cooling phenomenon treated as a problem of two-dimensional transient heat flow using finite difference equation and suggested techniques of implementing sequentialized rolling tasks in correlation with the procedure. From the result of simulation, it is shown that the difference between calculation value and measurement value is within the range of the industrial measurement error. Also, it is proved that the assumptions, conditions, and properties used in the computer simulation is appropriate by showing that the pattern of a drop in temperature at each rolling event is in accord with real circumstances.

• Korean Chemical Engineering Research
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• v.57 no.5
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• pp.652-665
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• 2019

Analytical solutions of the reactant concentration inside porous spherical catalytic particles were obtained from unsteady reaction-diffusion equation by applying eigenfunction expansion method. Various surface concentrations as exponentially decaying or oscillating function were considered as boundary conditions to solve the unsteady partial differential equation as a function of radial distance and time. Dirac delta function was also used for the instantaneous injection of the reactant as the surface boundary condition to calculate average reactant concentration inside the particles as a function of time by Laplace transform. Besides spherical morphology, other geometries of particles, such as cylinder or slab, were considered to obtain the solution of the reaction-diffusion equation, and the results were compared with the solution in spherical coordinate. The concentration inside the particles based on calculation was compared with the bulk concentration of the reactant molecules measured by photocatalytic decomposition as a function of time.

• Steel and Composite Structures
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• v.36 no.4
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• pp.481-492
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• 2020

To study the rail mapped deformation caused by the pier settlement of simply - supported bridges with China Railway Track System III (CRTS III) slab ballastless track (SBT) system under the mode of non-longitudinal connection ballastless track slab, this study derived an analytical solution to the mapped relationships between pier settlement and rail deformation based on the interlayer interaction mechanism of rail-pier and principle of stationary potential energy. The analytical calculation results were compared with the numerical results obtained by ANSYS finite element calculation, thus verifying the accuracy of analytical method. A parameter analysis was conducted on the key factors in rail mapped deformation such as pier settlement, fastener stiffness, and self-compacting concrete (SCC) stiffness of filling layer. The results indicate that rail deformation is approximately proportional to pier settlement. The smaller the fastener stiffness, the smoother the rail deformation curve and the longer the rail deformation area is. With the increase in the stiffness of SCC filling layer, the maximum positive deformation of rail gradually decreases, and the maximum negative deformation gradually increases. The deformation of rail caused by the pier settlement of common-span bridge structures will generate low-frequency excitation on high-speed trains.

• Steel and Composite Structures
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• v.46 no.4
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• pp.539-551
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• 2023

In order to study the fire resistance of castellated composite beams with ortho-hexagonal holes and different beam-end restraints, temperature rise tests with constant load were conducted on full-scale castellated composite beams with ortho-hexagonal holes and hinge or rigid joint constraints to investigate the temperature distribution, displacement changes and failure patterns of castellated composite beams with two different beam-end constraints during the whole course of fire. The results show that (1) During the fire, the axial pressure and horizontal expansion deformation generated in the rigid joint constrained composite beam were larger than those in the hinge joint constrained castellated composite beam, and their maximum horizontal expansion displacements were 30.2 mm and 17.8 mm, respectively. (2) After the fire, the cracks on the slab surface of the castellated composite beam with rigid joint constraint were more complicated than hinge restraint, and the failure more serious; the lower flange and web at the ends of the castellated steal beams with hinge and rigid joint constraint produced serious local buckling, and the angles of the ortho-hexagonal holes at the support cracked; the welds at both ends of the castellated composite beam with rigid joint constraint cracked. (3) Based on the simplified calculation method of solid-web composite beam, considering the effect of holes on the web, this paper calculated the axial force and displacement of the beam-end constrained castellated composite beams under fire. The calculation results agreed well with the test results.

• Computers and Concrete
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• v.13 no.6
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• pp.709-737
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• 2014

Fibre-reinforced self-compacting concrete (FRSCC) is a high-performance building material that combines positive aspects of fresh properties of self-compacting concrete (SCC) with improved characteristics of hardened concrete as a result of fibre addition. To produce SCC, either the constituent materials or the corresponding mix proportions may notably differ from the conventional concrete (CC). These modifications besides enhance the concrete fresh properties affect the hardened properties of the concrete. Therefore, it is vital to investigate whether all the assumed hypotheses about CC are also valid for SCC structures. In the present paper, the experimental results of short-term flexural load tests on eight reinforced SCC and FRSCC specimens slabs are presented. For this purpose, four SCC mixes - two plain SCC, two steel, two polypropylene, and two hybrid FRSCC slab specimens - are considered in the test program. The tests are conducted to study the development of SCC and FRSCC flexural cracking under increasing short-term loads from first cracking through to flexural failure. The achieved experimental results give the SCC and FRSCC slabs bond shear stresses for short-term crack width calculation. Therefore, the adopted bond shear stress for each mix slab is presented in this study. Crack width, crack patterns, deflections at mid-span, steel strains and concrete surface strains at the steel levels were recorded at each load increment in the post-cracking range.