• Bulletin of the Korean Chemical Society
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• 제32권10호
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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.

• 한국전기전자재료학회:학술대회논문집
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• 한국전기전자재료학회 1995년도 춘계학술대회 논문집
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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.

• 한국진공학회:학술대회논문집
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• 한국진공학회 2000년도 제18회 학술발표회 논문개요집
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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.

• 콘크리트학회논문집
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• 제11권5호
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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.

• 한국콘크리트학회:학술대회논문집
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• 한국콘크리트학회 1999년도 봄 학술발표회 논문집(I)
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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.

• 대한전기학회논문지
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• 제38권4호
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• pp.307-315
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• 1989

본 논문에서는 열간압연공정중 소재가 가열로에서 추출되어 조압연 공정을 마치기 까지 소재인 slab의 온도변화추이를 해석키 위하여 rolling process 상에서 온도에 영얄을 미치는 인자인 1) 대기중 복사 및 대류에 의한 냉각 2) 소성가공발열 3) descaling water에 의한 수냉각 4) rolling roll, 운반 roll과의 접촉냉각등 제요인에 관한 사항을 rolling process 상에서의 문제로 평가도입하여 해석하고저 하는 slab 표면에서의 경계조건 설정과 관련한 적용기법을 정립하였고 소재의 냉각 현상을 two dimensional transient heat flow문제로 취급, 유한차분방정식을 이용하여 해석하는 과정과 관련 rollinh작업을 sequence화 하여 적용하는 기법을 제시하였다. simulation 결과 계산치와 실계측편차 (${\pm}18^{\circ}C$)범위내에서 일치함을 제시하였고 또한 rolling event 별로 나타나는 온도하강 pattern이 실제의 압연상황과 잘 일치함을 제시하므로서 본 computer simulation 과정에서 적용한 가정, 조건, 물성치 등의 적정성 등을 입증하였다.

• Korean Chemical Engineering Research
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• 제57권5호
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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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• 제36권4호
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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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• 제46권4호
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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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• 제13권6호
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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.