• Journal of the Korean Institute of Electrical and Electronic Material Engineers
• /
• v.27 no.12
• /
• pp.767-775
• /
• 2014

New material design has obtained tremendous attention in material science community as the performance of new materials, especially in nano length scale, could be greatly improved to applied in modern industry. In certain conditions limiting experimental synthesis of these new materials, new approach by computer simulation has been proposed to be applied, being able to save time and cost. Recent development of computer systems with high speed, large memory, and parallel algorithms enables to analyze individual atoms using first principle calculation to predict quantum phenomena. Beyond the quantum level calculations, mesoscopic scale and continuum limit can be addressed either individually or together as a multi-scale approach. In this article, we introduced current endeavors on material design using analytical theory and computer simulations in multi-length scales and on multi-physical properties. Some of the physical phenomena was shown to be interconnected via a cross-link rule called 'cross-property relation'. It is suggested that the computer simulation approach by multi-physics analysis can be efficiently applied to design new materials for multi-functional characteristics.

• Proceedings of the Korean Institute of Building Construction Conference
• /
• 2021.11a
• /
• pp.133-134
• /
• 2021

Limestone-calcined clay-Cement (LC3) concrete provides a solution for sustainability, durability, and profitability of concrete industry. This study shows experimental studies of the macro properties (residual compressive strength), the meso properties (mesoscopic images), and micro properties (thermogravimetric (TG) analysis, X-ray powder diffraction (XRD), FTIR spectra, Raman spectra, Mercury intrusion porosimetry, and SEM) of LC3 paste with various mixtures and at high elevated temperatures (20 ℃, 300 ℃, 550 ℃ and 900 ℃). We find (1) Regarding to macro properties, LC3 cementitious materials are at a disadvantage in compressive strength when the temperature is higher than 300 ℃. (2) Regarding to meso properties, when the temperature reached 550 ℃, all samples generated more meso cracks. (3) Regarding to micro properties, first, as the substitution amount increases, its CH content decreases significantly; second, at 900 ℃, for samples with calcined clay, a large amount of gehlenite crystalline phase was found; third, at elevated temperatures (20 ℃, 300 ℃, 550 ℃ and 900 ℃), there is a linear relationship between the residual compressive strength and the cumulative pore volume; fourth, at 900 ℃, a large amount of dicalcium silicate was generated, and damage cracks were more pronounced. The experimental results of this study are valuable of material design of fire resistance of LC3 concrete.

• Computers and Concrete
• /
• v.8 no.2
• /
• pp.125-142
• /
• 2011

In the present paper, a numerical simulation method based on mesoscopic composite structure of concrete, the truss network model, is developed to evaluate the diffusivity of concrete in order to account for the microstructure of concrete, the binding effect of chloride ions and the chloride concentration dependence. In the model, concrete is described as a three-phase composite, consisting of mortar, coarse aggregates and the interfacial transition zones (ITZs) between them. The advantage of the current model is that it can easily represent the movement of mass (e.g. water or chloride ions) through ITZs or the potential cracks within concrete. An analytical method to estimate the chloride diffusivity of mortar and ITZ, which are both treated as homogenious materials in the model, is introduced in terms of water-to-cement ratio (w/c) and sand volume fraction. Using the newly developed approaches, the effect of cracking of concrete on chloride diffusion is reflected by means of the similar process as that in the test. The results of calculation give close match with experimental observations. Furthermore, with consideration of the binding capacity of chloride ions to cement paste and the concentration dependence for diffusivity, the one-dimensional nonlinear diffusion equation is established, as well as its finite difference form in terms of the truss network model. A series of numerical analysises performed on the model find that the chloride diffusion is substantially influenced by the binding capacity and concentration dependence, which is same as that revealed in some experimental investigations. This indicates the necessity to take into account the binding capacity and chloride concentration dependence in the durability analysis and service life prediction of concrete structures.

• Computers and Concrete
• /
• v.9 no.4
• /
• pp.257-273
• /
• 2012

Based on the heterogeneous characterization of concrete at mesoscopic level, Realistic Failure Process Analysis ($RFPA^{3D}$) code is used to simulate the failure process of concrete-filled tubular (CFT) stub columns. The results obtained from the numerical simulations are firstly verified against the existing experimental results. An extensive parametric study is conducted to investigate the effects of different concrete strength on the behaviour and load-bearing capacity of the CFT stub columns. The strength of concrete considered in this study ranges from 30 to 110 MPa. Both the load-bearing capacity and load-displacement curves of CFT columns are evaluated. In particular, the crack propagation during the deformation and failure processes of the columns is predicted and the associated mechanisms related to the increased load-bearing capacity of the columns are clarified. The numerical results indicate that there are two mechanisms controlling the failure of the CFT columns. For the CFT columns with the lower concrete strength, they damage when the steel tube yields at first. By contrast, for the columns with high concrete strength it is the damage of concrete that controls the overall loading capacity of the CFT columns. The simulation results also demonstrate that $RFPA^{3D}$ is not only a useful and effective tool to simulate the concrete-filled steel tubular columns, but also a valuable reference for the practice of engineering design.

• Geomechanics and Engineering
• /
• v.7 no.4
• /
• pp.375-401
• /
• 2014

It is generally accepted that material heterogeneity has a great influence on the deformation, strength, damage and failure modes of rock. This paper presents numerical simulation on rock failure process based on the characterization of rock heterogeneity by using a digital image processing (DIP) technique. The actual heterogeneity of rock at mesoscopic scale (characterized as minerals) is retrieved by using a vectorization transformation method based on the digital image of rock surface, and it is imported into a well-established numerical code Rock Failure Process Analysis (RFPA), in order to examine the effect of rock heterogeneity on the rock failure process. In this regard, the numerical model of rock could be built based on the actual characterization of the heterogeneity of rock at the meso-scale. Then, the images of granite are taken as an example to illustrate the implementation of DIP technique in simulating the rock failure process. Three numerical examples are presented to demonstrate the impact of actual rock heterogeneity due to spatial distribution of constituent mineral grains (e.g., feldspar, quartz and mica) on the macro-scale mechanical response, and the associated rock failure mechanism at the meso-scale level is clarified. The numerical results indicate that the shape and distribution of constituent mineral grains have a pronounced impact on stress distribution and concentration, which may further control the failure process of granite. The proposed method provides an efficient tool for studying the mechanical behaviors of heterogeneous rock and rock-like materials whose failure processes are strongly influenced by material heterogeneity.

• Tribology and Lubricants
• /
• v.36 no.6
• /
• pp.371-377
• /
• 2020

In In this study, we compared the results of a ball bearing life prediction model based on rolling element loads with the results of fatigue life prediction of ball bearings when a stress-based contact fatigue life prediction technique is applied to the ball bearing. We calculate the load acting on each rolling element by the external load of the bearing and apply the result to the Lundberg-Palmgren (LP) theory to calculate ball bearing life based on the rolling element. We also calculate stress-based ball bearing life through contact and fatigue analyses based on contact modeling of the ball and raceway while considering the fatigue test results of AISI 52100 steel. In stress-based life prediction, we use three high-cycle fatigue-determination equations that can predict the fatigue life when multi-axis proportional loads such as rolling-slide contact conditions are applied. These equations are derived from the stress invariant and critical plane methods and the mesoscopic approach. Life expectancy results are compared with those of the LP model. Results of the analysis indicated that the fatigue life was predicted to be lower in the order of the Crossland, Dang Van, and Matake models. Of the three, the Dang Van fatigue model was found to be the closest to the LP life.

• The Journal of The Korea Institute of Intelligent Transport Systems
• /
• v.15 no.2
• /
• pp.36-49
• /
• 2016

A subway system is one of the major transportation modes at a metropolitan area. When it meets the other lines, the metro station, so-called transferring station, is usually threatened by severe pedestrian congestion and safety issue of transit users including the transportation vulnerable. Although transportation planners forecast travel demand at the beginning, it is not easy to predict pedestrian flows precisely for a long term if land use plans have dramatically changed. Due to expensive costs, structural extension of metro stations is limited. Therefore, it requires efficient and technical improvements as meeting the demand of pedestrian and physical characteristics. In this study, the core mechanism of pedestrian movement-based simulation model was introduced and evacuation scenarios were analyzed with the developed model. As a result, the multiple optimal routes for unexpected events at the solid space of the multiple stories are easily searched through the simulator and in the case of Sadang Station, travel time can be reduced by 60% when the evacuation information and intuitive design are provided.

• Bulletin of the Korean Chemical Society
• /
• v.24 no.6
• /
• pp.864-880
• /
• 2003

A unified picture for magnetism, superconductivity, quantum optics and other properties of molecule-based materials has been presented on the basis of effective model Hamiltonians, where necessary parameter values have been determined by the first principle calculations of cluster models and/or band models. These properties of the matetials are qualitatively discussed on the basis of the spin and pseudo-spin Hamiltonian models, where several quantum operators are expressed by spin variables under the two level approximation. As an example, ab initio broken-symmetry DFT calculations are performed for cyclic magnetic ring constructed of 34 hydrogen atoms in order to obtain effective exchange integrals in the spin Hamiltonian model. The natural orbital analysis of the DFT solution was performed to obtain symmetry-adapted molecular orbitals and their occupation numbers. Several chemical indices such as information entropy and unpaired electron density were calculated on the basis of the occupation numbers to elucidate the spin and pair correlations, and bonding characteristic (kinetic correlation) of this mesoscopic magnetic ring. Both classical and quantum effects for spin alignments and singlet spin-pair formations are discussed on the basis of the true spin Hamiltonian model in detail. Quantum effects are also discussed in the case of superconductivity, atom optics and quantum optics based on the pseudo spin Hamiltonian models. The coherent and squeezed states of spins, atoms and quantum field are discussed to obtain a unified picture for correlation, coherence and decoherence in future materials. Implications of theoretical results are examined in relation to recent experiments on molecule-based materials and molecular design of future molecular soft materials in the intersection area between molecular and biomolecular materials.

• Journal of the Korean earth science society
• /
• v.21 no.4
• /
• pp.437-448
• /
• 2000

The Middle Carboniferous Gabsan Formation is distributed in the Cheongrim area of southern Yeongwol and the Mt. Gachang area of Chungbuk Province. This study was carried out to investigate the lithological characters and geochemical composition of the limestones and to find out controlling structures of the limestones of the formation. The limestones of the Gabsan Formation are characterized by the light gray to light brown in color and fine and dense textures. The limestone grains are composed of crinoid fragments, small foraminfers, fusulinids, gastropods, ostracods, etc. Due to the recrystallization, some limestones consist of fine crystalline calcites. The chemical analysis of limestones of the formation was conducted to find out the contents of CaO, MgO, Al$_2$O$_3$, Fe$_2$O$_3$ and SiO$_2$. The content of CaO ranges from 49.78-60.63% and the content of MgO ranges from 0.74 to 4.63% The contents of Al$_2$O$_3$ and Fe$_2$O$_3$ are 0.02-0.55% and 0.02${\sim}$0.84% , respectively. The content of SiO$_2$ varies from 1.55 to 4.80%, but some samples contain more than 6.0%. The limestones of the formation can be grouped into two according to the CaO content: One is a group of which CaO content ranges from 49.78 to 56.26% and the other is a group of which CaO content varies from 59.36 to 60.38%. In the first group, the contents of Al$_2$O$_3$, Fe$_2$O$_3$ and SiO$_2$ range very irregularly according to the CaO content. In the second group, the values of MgO, Al$_2$O$_3$, Fe$_2$O$_3$ and SiO$_2$ are nearly same. Detailed structural analysis of mesoscopic structures and microstructures indicates the five phase of deformation in the study area. The first phase of deformation(D$_1$) is characterized by regional scale isoclinal folds, and bedding parallel S$_1$ axial plane foliation which is locally developed in the mudstone and sandstone. Based on the observations of microstructures, S$_1$ foliations appear to be developed by grain preferred orientation accompanying pressure-solution. During second phase of deformation, outcrop scale E-W trending folds with associated foliations and lineations are developed. Microstructural observations indicate that crenulation foliations were formed by pressure-solution, grain boundary sliding and grain rotation. NNW and SSE trending outcrop scale folds, axial plane foliations, crenulation foliations, crenulation lineations, intersection lineations are developed during the third phase of deformation. On the microscale F$_3$ fold, axial plane foliations which are formed by pressure solution are well developed. Fourth phase of deformation is characterized by map scale NNW trending folds. The pre-existing planar and linear structures are reoriented by F$_4$ folds. Fifth phase of deformation developed joints and faults. The distribution pattern of the limestones is mostly controlled by F$_1$ and F$_4$ folds.