• Bulletin of the Korean Chemical Society
• /
• v.17 no.5
• /
• pp.452-457
• /
• 1996

The effects caused by the ionization on the electronic structure and geometry on C60 are studied by the modified Su-Schriffer-Heeger (SSH) model Hamiltonian. After the ionization of C60, the bond structure of the singly charged C60 cation is deformed from Ih symmetry of the neutral C60 to D5d, C1, and C2, which is dependent upon the change of the electron-phonon coupling strength. The electronic structure of the C60+ cation ground state undergoes Jahn-Teller distortion in the weak electron-phonon coupling region, while self-localized states occur in the intermediate electron-phonon region, but delocalized electronic states appear again in the strong electron-phonon region. In the realistic strength of the electron-phonon coupling in C60, the bond structure of C60+ shows the layer structure of the bond distortion and a polaron-like state is formed.

• Advances in Computational Design
• /
• v.4 no.1
• /
• pp.33-41
• /
• 2019

In this study, 2-mm Al/Cu bimetallic laminates were produced using asymmetric roll bonding (RB) process. The asymmetric RB process was carried out with thickness reduction ratios of 10%, 20% and 30% and mismatch rolling speeds 1:1, 1:1.1 and 1:1.2, separately. For various experimental conditions, finite element simulation was used to model the deformation of bimetallic Al/Cu laminates. Specific attention was focused on the bonding strength and bonding quality of the interface between Al and Cu layers in the simulation and experiment. The optimization of mismatch rolling speed ratios was obtained for the improvement of the bond strength of bimetallic laminates during the asymmetric RB process. During the finite element simulation, the plastic strain of samples was found to reach the maximum value with a high quality bond for the samples produced with mismatch rolling speed 1:1.2. Moreover, the peeling surfaces of samples around the interface of laminates after the peeling test were studied to investigate the bonding quality by scanning electron microscopy.

• Applied Chemistry for Engineering
• /
• v.33 no.4
• /
• pp.425-430
• /
• 2022

L-alanine (LA, as an amino acid residue) pentamer model was used to investigate changes in the dihedral angle, intramolecular hydrogen bonding and formation energies during structural optimization. LA pentamers having four conformation types [𝛽: 𝜑/𝜓=t-/t+, 𝛼: 𝜑/𝜓=g-/g-, PP_II: 𝜑/𝜓=g-/t+ and P-like: 𝜑/𝜓= g-/g+] were carried out by quantum chemical calculations (QCC) [B3LYP/6-31G(d,p)]. In LA, 𝛽, 𝛼, and P-like types did not change by optimization, having an intra-molecular hydrogen bond: NH⋯OC (H-bond), and PP_II types in the absence of H-bond were transformed into P-like at the designated 𝜓 of 140°, and to 𝛽 at that of 160° or 175°. P-like and 𝛼 were about 0.5 kcal/mol/mu more stable than 𝛽. In order to understand the processes of the transformations, the changes of 𝜑/𝜓, distances of NH-OC (d_NH/CO) and formation energies (𝜟E, kcal/mol/mu) were examined.

• Journal of the Computational Structural Engineering Institute of Korea
• /
• v.19 no.1 s.71
• /
• pp.1-13
• /
• 2006

An analytical procedure to analyze reinforced concrete(RC) beams and columns subject to monotonic and cyclic loadings is proposed on the basis of the layered section method. In contrast to the classical nonlinear approaches adopting the perfect bond assumption, the bond slip effect along the reinforcing bar is quantified with the force equilibrium and compatibility condition at the post cracking stage and its contribution is implemented into the reinforcing. The advantage of the proposed analytical procedure, therefore, will be on the consideration of the bond slip effect while using the classical layered section method without additional consideration such as taking the double nodes. Through correlation studies between experimental data and analytical results, it Is verified that the proposed analytical procedure can effectively simulate the cracking behavior of RC beams and columns accompanying the stiffness degradation caused by the bond slip.

• Journal of the Korea Concrete Institute
• /
• v.17 no.4 s.88
• /
• pp.513-520
• /
• 2005

The uniform truss mechanism is widely accepted as a shear transfer mechanism in reinforced concrete members. However, the uniform truss action cannot be expected when the bond stress distribution is not constant along longitudinal bars. A test method in which only the truss action takes place is developed and conducted to investigate the truss actions under various bond contributions. Based on the experimental results and analysis, the following findings can be obtained: 1) The bond stress distribution depends on the axial compression force, the amount of shear reinforcement and loading conditions. 2) The analysis using the combined truss model consisting of uniform and fan-shape trusses can predict the experimental results

• Restorative Dentistry and Endodontics
• /
• v.18 no.1
• /
• pp.103-113
• /
• 1993

The purpose of this study was to evaluate the tensile bond strength of composite resin inlays according to the their internal surface treatment and types of luting cement and compared them with the conventional direct resin filling thchnique. Class II cavities were prepared in 50 extracted human molar teeth, and then equally divided into five groups. Group 1 : Cavities of control group were directly filled with P-50. Group 2 : Cavities of resin inlay group were luted with resin cement. Group 3 : Cavities of resin inlay group were luted with luting G-I cement. Group 4 : Cavities of resin inlay group were luted with resin cement after sandblasting. Group 5 : Cavities of resin inlay group were luted with luting G-I cement after sandblasting. All specimens were polished with same method and stored in normal saline for 24 hours before testing. An Universal Testing machine(Model No. AGS-100A, Shimadzu, Japan) was used to apply tensile loads in the vertical direction, and the force required for separation was recorded with a cross-head speed of 5mm/min and 100kg in full scale. The results were as follows : 1. The mean tensile bond strength was lowest in group luted with luting G-I cement, with measurements of $14.45{\pm}0.78(kg/cm^2)$ and highest in group luted with resin cement after sandblasting, with measurements of $49.6{\pm}2.74(kg/cm^2)$. 2. The tensile bond strength was greater in resin inlay groups luted with resin cement than in control group and resin inlay groups luted with luting G-I cement(P<0.05). 3. The tensile bond strength was lower in resin inlay groups luted with luting G-I cement than in control group(P<0.05). 4. The tensile bond strength was greater in resin inlay groups luted with resin cement or luting G-I cement after sandblasting than without that(P<0.05).

• Structural Engineering and Mechanics
• /
• v.41 no.2
• /
• pp.157-181
• /
• 2012

The paper presents a review of the application of the newly proposed mixed finite element model for seismic simulation of different types of composite frame structures. To evaluate the performance of the element, a comparison with displacement-based and force-based models is conducted. The study revealed that the mixed model is superior to the others in terms of both speed of convergence and numerical stability, and is therefore considered the most practical approach for modeling of composite structures. In this model, the element is derived using independent force and displacement shape functions. The nonlinear response of the frame element is based on the section discretization into fibers with uniaxial material models. The interfacial behavior is modeled using an inelastic interface element. Numerical examples to clarify the advantages of the model are presented for the following structural applications: anchored reinforcing bar problems, composite steel-concrete girders with deformable shear connectors, beam on elastic foundation elements, R/C girders strengthened with FRP sheets, R/C beam-columns with bond-slip, and prestressed concrete girders. These studies confirmed that the model represents a major advancement over existing elements in simulating the inelastic behavior of composite structures.

• Computers and Concrete
• /
• v.12 no.5
• /
• pp.585-612
• /
• 2013

The paper presents quasi-static numerical simulations of the behaviour of short reinforced concrete beams without shear reinforcement under mixed shear-tension failure using the FEM and four various constitutive continuum models for concrete. First, an isotropic elasto-plastic model with a Drucker-Prager criterion defined in compression and with a Rankine criterion defined in tension was used. Next, an anisotropic smeared crack and isotropic damage model were applied. Finally, an elasto-plastic-damage model was used. To ensure mesh-independent FE results, to describe strain localization in concrete and to capture a deterministic size effect, all models were enhanced in a softening regime by a characteristic length of micro-structure by means of a non-local theory. Bond-slip between concrete and reinforcement was considered. The numerical results were directly compared with the corresponding laboratory tests performed by Walraven and Lehwalter (1994). The advantages and disadvantages of enhanced models to model the reinforced concrete behaviour were outlined.

• Journal of the Korean Society of Safety
• /
• v.26 no.2
• /
• pp.62-69
• /
• 2011

This paper presents a new simple two-dimensional frame finite element able to accurately estimate the load-carrying capacity of reinforced concrete beams flexurally strengthened externally bonded fiber reinforced polymer (FRP) strips and plates. The proposed analysis model considers distributed plasticity with layer-discretization of the cross-sections and the bond-slip behavior of epoxy layer. The proposed model is used to predict the load-carrying capacity and the applied load-midspan deflection response of RC beams subjected to bending loading. Numerical simulations and experimental measurements are compared based on numerous tests available in the literature and published by different authors. The numerically simulated response agree remarkably well with the corresponding experimental results. Thus, the proposed model is suitable for efficient and accurate modeling and analysis of flexural strengthening of RC beams with externally bonded FRP sheets/plates and for practical use in design-oriented parametric studies.

• Computers and Concrete
• /
• v.28 no.5
• /
• pp.521-532
• /
• 2021

Present paper focuses on the modeling of size effect on the compressive strength of normal concrete with the application of Discrete Element Method (DEM). Test specimens with different size and shape were cast and uniaxial compressive strength test was performed on each sample. Five different concrete mixes were used, all belonging to a different normal strength concrete class (C20/25, C30/37, C35/45, C45/55, and C50/60). The numerical simulations were carried out by using the PFC 5 software, which applies rigid spheres and contacts between them to model the material. DEM modeling of size effect could be advantageous because the development of micro-cracks in the material can be observed and the failure mode can be visualized. The series of experiments were repeated with the model after calibration. The relationship of the parallel bond strength of the contacts and the laboratory compressive strength test was analyzed by aiming to determine a relation between the compressive strength and the bond strength of different sized models. An equation was derived based on Bazant's size effect law to estimate the parallel bond strength of differently sized specimens. The parameters of the equation were optimized based on measurement data using nonlinear least-squares method with SSE (sum of squared errors) objective function. The laboratory test results showed a good agreement with the literature data (compressive strength is decreasing with the increase of the size of the specimen regardless of the shape). The derived estimation models showed strong correlation with the measurement data. The results indicated that the size effect is stronger on concretes with lower strength class due to the higher level of inhomogeneity of the material. It was observed that size effect is more significant on cube specimens than on cylinder samples, which can be caused by the side ratios of the specimens and the size of the purely compressed zone. A limit value for the minimum size of DE model for cubes and cylinder was determined, above which the size effect on compressive strength can be neglected within the investigated size range. The relationship of model size (particle number) and computational time was analyzed and a method to decrease the computational time (number of iterations) of material genesis is proposed.