• Bulletin of the Korean Chemical Society
• /
• v.14 no.2
• /
• pp.255-258
• /
• 1993

Molecular dynamics (MD) calculations were carried out in order to investigate the effect of MD cell size to predict the melting phenomena of A-type zeolite. We studied two model systems: a pseudocell of $(T_2O_4Na)_n$, (L= 12.264 $^{\AA}$, N= 84) and a true-cell of (SiAlO$_4Na)_n$. (L= 24.528 $^{\AA}$, N= 672), where T is Si or Al. The radial and bond angle distribution functions of T(Si, Al)-O-T(Si, Al) and diffusion coefficients of T and O were reported at various temperatures. For the true-cell model, the melting temperature is below 1500 K and probably around 1000 K, which is about 600-700 K lower than the pseudocell model. Although it took more time (about 30 times longer) to obtain the molecular trajectories of the true-cell model than those of the pseudocell model, the true-cell model gave more realistic structural transition for the A-type zeolite, which agrees with experiment.

• Bulletin of the Korean Chemical Society
• /
• v.21 no.3
• /
• pp.310-316
• /
• 2000

Molecular dynamics simulation studies for thermotropic liquid crystalline systems conposed of rodlike molecules with 6 Lennard-Jones interaction sites wre performed in NPT ensemble. Within the range of temperature studied, the system exhibited isotropic and smectic phase. For the characterization of the smectic phase, we examined the structure of the liquid crystalline phase via the radial distribution function, its longitudinal and transverse components to the director, and other orientational correlation function, its longitudinal and transverse components to the director, and other orientational correlation functions. In the smectic A phase, our results showed a large anisotropy in translational motion (i.e.,$D_⊥ >> D_∥$), and the decay of the collective orientational correlation function of rank two became slower than that of the single particle orientational correlation function of rank one. Comments on the spontaneous growth of orientational order directly from the isotropic phase are given.

• Current Applied Physics
• /
• v.18 no.11
• /
• pp.1352-1358
• /
• 2018

In recent years, one-dimensional (1D) magnetic nanostructures, such as magnetic nanorods and chains of magnetic nanoparticles have received great attentions due to the breadth of applications. Especially, magnetic nanorods has been opened an area of active research and applications in medicine, sensors, optofluidics, magnetic swimming, and microrheology since they possess the unique magnetic and geometric features. This study focuses on the molecular dynamics (MD) simulations of an infinitely long crystal ${\beta}-Fe_2O_3$ nanorod. To elucidate the structural properties and dynamics behavior of ${\beta}-Fe_2O_3$ nanorods, MD simulation is a powerful technique. The structural properties such as equation of state and radial distribution function of bulk ${\beta}-Fe_2O_3$ are performed by lattice dynamics (LD) simulations. In this work, we consider three main mechanisms affecting on deformation characteristics of a ${\beta}-Fe_2O_3$ nanorod: 1) temperature, 2) the rate of mechanical compression, and 3) the rate of mechanical torsion.

• Journal of ILASS-Korea
• /
• v.28 no.2
• /
• pp.68-74
• /
• 2023

In this study, the thickness of the liquid sheet formed by a low speed impinging jet onto a wall was measured by the direct contact method. The spatial distribution characteristics of the sheet thickness in the radial and circumferential directions, and the effects of jet velocity and liquid viscosity were analyzed. The measurement results were compared with the theoretical predictions for two impinging jets. The wavy surface was observed for low viscosity water, but not for high viscosity glycerol solutions. The sheet thickness decreased as the circumferential angle or the distance from the impinging point increased. The sheet thickness increased as the liquid viscosity increased. Comparison with the theoretical predictions showed some differences from the measurement results.

• The Bulletin of The Korean Astronomical Society
• /
• v.45 no.1
• /
• pp.62.2-62.2
• /
• 2020

Globular clusters(GCs) are found not only around galaxies (galaxy GCs), but also between galaxies in galaxy clusters (intracluster GCs; ICGCs). The ICGCs, which are not bound to any of cluster member galaxies, are governed by the galaxy clutster potential. ICGCs have been detected in the wide field of Virgo and Fornax galaxy clusters. However, previous surveys covered only a small fraction of Coma and Perseus. In this study we present a wide field survey of these two galaxy clusters, using Subaru Hyper Suprime-Cam(HSC) archival images, covering a circular field with diameter of ~1.8 deg. We select ICGC candidates, by masking the images of bright galaxies and choosing point sources in the remaining area. We find thousands of ICGCs in each galaxy cluster. These ICGCs show a bimodal color distribution, which is dominated by blue GCs. We investigate spatial distributions and radial number density profiles of the blue and red ICGCs in each galaxy cluster. Implications of the results will be discussed.

• Advances in nano research
• /
• v.16 no.2
• /
• pp.201-215
• /
• 2024

The present research study emphasizes the utilization of mathematical simulation on a nanoelectromechanical systems (NEMS) sensor to facilitate the detection of injuries in players and equipment. Specifically, an investigation is conducted on the thermal buckling behavior of a small-scale truncated conical, cylindrical beam, which is fabricated using porous functionally graded (FG) material. The beam exhibits non-uniform characteristics in terms of porosity, thickness, and material distribution along both radial and axial directions. To assess the thermal buckling performance under various environmental heat conditions, classical and first-order nonlocal beam theories are employed. The governing equations for thermal stability are derived through the application of the energy technique and subsequently numerically solved using the extended differential quadratic technique (GDQM). The obtained results are comprehensively analyzed, taking into account the diverse range of effective parameters employed in this meticulous study.

• Journal of ILASS-Korea
• /
• v.29 no.2
• /
• pp.75-82
• /
• 2024

In this study, the thickness of the liquid sheet formed by a splash plate nozzle at low jet velocities was measured by the direct contact method. The spatial distribution characteristics of the sheet thickness in the radial and circumferential directions, and the effects of jet velocity and liquid viscosity were analyzed. The wavy surface was observed for low viscosity water, but not for high viscosity glycerol solutions. The sheet thickness decreased as the circumferential angle or the distance from the impinging point increased. The sheet thickness increased as the liquid viscosity increased. Comparison with the theoretical predictions for two impinging jets showed some differences from the measurement results.

• Geomechanics and Engineering
• /
• v.38 no.2
• /
• pp.179-189
• /
• 2024

This paper presents a geomechanical framework for designing and optimizing layout patterns of cutterheads for rock Tunnel Boring Machines (TBMs), aiming to enhance their engineering performance. By examining the forces and moments exerted by rock, the study addresses geometric constraints associated with cutter boxes in key regions of the cutterhead, including the center, face, and gage areas, as well as the three-dimensional effects of cutterhead curvature on the geometric constraints of the back of the cutter boxes in the gage area. Novel formulas are proposed for determining the center points of cutter boxes and calculating both the minimum angular spacing and distance spacing between consecutive cutter boxes along a spiral path. The paper outlines an optimized layout design process for four cutterhead configurations: random, random paired, radial, and double spiral designs. Examples are provided to illustrate the results of applying these designs. The findings underscore the efficacy of the proposed methods in achieving a uniform and symmetrical distribution of cutters and buckets on the cutterhead surface. This approach effectively eliminates boundary overlap and minimizes unbalanced forces and moments. From a geomechanical standpoint, this framework offers a robust strategy for enhancing the performance and reliability of TBM cutterheads in rock tunneling operations.

• Nuclear Engineering and Technology
• /
• v.56 no.8
• /
• pp.3255-3267
• /
• 2024

This paper presents a high-fidelity simulation of the Organization for Economic Co-operation and Development (OECD) Nuclear Energy Agency (NEA) 3D whole-core Watts Bar benchmark using the UNIST in-house STREAM3D (Steady State and Transient Reactor Analysis code with Method of Characteristics) neutronic code. The benchmark encompasses various whole-core exercises, including single physics problems, multiphysics simulations, and depletion problems. When comparing parameters during the zero-power physics tests, including ITC, DBW, CRW, and criticality tests, STREAM3D results indicate a strong agreement with the measured data and KENO-VI. The comparison with the MC21/CTF code in 3D HFP BOC condition demonstrated strong agreement, with only a 0.42% difference in the normalized radial power distribution, a 0.38 K difference in the RMS of the assembly coolant exit temperature, and a mere 4 ppm difference in CBC.

• Journal of Nuclear Fuel Cycle and Waste Technology(JNFCWT)
• /
• v.22 no.3
• /
• pp.301-311
• /
• 2024

Hydride analysis is required to assess the mechanical integrity of spent nuclear fuel cladding. Image segmentation, which is a hydride analysis method, is a technique that can analyze the orientation and distribution of hydrides in cladding images of spent nuclear fuels. However, the segmentation results varied according to the image preprocessing. Inaccurate segmentation results can make hydride difficult to analyze. This study aims to analyze the segmentation performance of the Otsu algorithm according to the morphological operations of cladding images. Morphological operations were applied to four different cladding images, and segmentation performance was quantitatively compared using a histogram, between-class variance, and radial hydride fraction. As a result, this study found that morphological operations can induce errors in cladding images and that appropriate combinations of morphological operations can maximize segmentation performance. This study emphasizes the importance of image preprocessing methods, suggesting that they can enhance the accuracy of hydride analysis. These findings are expected to contribute to the advancements in integrity assessment of spent nuclear fuel cladding.