• Nuclear Engineering and Technology
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• v.36 no.3
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• pp.229-236
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• 2004

Radiation hardening is a multiscale phenomenon involving various processes over a wide range of time and length. We present a multiscale model for estimating the amount of radiation hardening in pressure vessel steel in the environment of a light water reactor. The model comprises two main parts: molecular dynamics (MD) simulation and a point defect cluster (PDC) model. The MD simulation was used to investigate the primary damage caused by displacement cascades. The PDC model mathematically formulates interactions between point defects and their clusters, which explains the evolution of microstructures. We then used a dislocation barrier model to calculate the hardening due to the PDCs. The key input for this multiscale model is a neutron spectrum at the inner surface of reactor pressure vessel steel of the Younggwang Nuclear Power Plant No.5. A combined calculation from the MD simulation and the PDC model provides a convenient tool for estimating the amount of radiation hardening.

• Journal of the Korean Magnetic Resonance Society
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• v.2 no.2
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• pp.152-157
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• 1998

The diversity of RNA functions ranges from storage and propagation of genetic information to enzymatic activity during RNA processing and protein synthesis. This diversity of functions requires an equally diverse arrays of structures, and, very often, the formation of functional RNA-protein complexes. Recognition of specific RNA signals by RNA-binding proteins is central to all aspects of post-transcriptional regulation of gene expression. We will describe how NMR is being used to understand at the atomic level how these important biological processes occur.

• Proceedings of the Korean Vacuum Society Conference
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• 2015.08a
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• pp.64-64
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• 2015

Control of plasma processing methodologies can only occur by obtaining a thorough understanding of the physical and chemical properties of plasmas. However, all plasma processes are currently used in the industry with an incomplete understanding of the coupled chemical and physical properties of the plasma involved. Thus, they are often 'non-predictive' and hence it is not possible to alter the manufacturing process without the risk of considerable product loss. Only a more comprehensive understanding of such processes will allow models of such plasmas to be constructed that in turn can be used to design the next generation of plasma reactors. Developing such models and gaining a detailed understanding of the physical and chemical mechanisms within plasma systems is intricately linked to our knowledge of the key interactions within the plasma and thus the status of the database for characterizing electron, ion and photon interactions with those atomic and molecular species within the plasma and knowledge of both the cross-sections and reaction rates for such collisions, both in the gaseous phase and on the surfaces of the plasma reactor. The compilation of databases required for understanding most plasmas remains inadequate. The spectroscopic database required for monitoring both technological and fusion plasmas and thence deriving fundamental quantities such as chemical composition, neutral, electron and ion temperatures is incomplete with several gaps in our knowledge of many molecular spectra, particularly for radicals and excited (vibrational and electronic) species. However, the compilation of fundamental atomic and molecular data required for such plasma databases is rarely a coherent, planned research program, instead it is a parasitic process. The plasma community is a rapacious user of atomic and molecular data but is increasingly faced with a deficit of data necessary to both interpret observations and build models that can be used to develop the next-generation plasma tools that will continue the scientific and technological progress of the late 20th and early 21st century. It is therefore necessary to both compile and curate the A&M data we do have and thence identify missing data needed by the plasma community (and other user communities). Such data may then be acquired using a mixture of benchmarking experiments and theoretical formalisms. However, equally important is the need for the scientific/technological community to recognize the need to support the value of such databases and the underlying fundamental A&M that populates them. This must be conveyed to funders who are currently attracted to more apparent high-profile projects.

• Proceedings of the Korean Society of Precision Engineering Conference
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• 2005.10a
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• pp.77-80
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• 2005

Local probe techniques such as scanning probe microscopy (SPM) or atomic force microscopy (AFM) extended our perception into ultra small world. Specially, the sense of touching was extended by AFM into the micro- and nanoworld and has provided complementary new insights of the microscopic world. In addition, touching objects is an essential step before trying to manipulate things. SPM as a touch sensor not only measure the mechanical properties but also detect different properties such as magnetic, electrical, ionic, thermal, chemical and biophysical properties in nanoscale and even less. Obtaining biophysical measurements, monitoring dynamics and processes together with high-resolution imaging of the biomolecules and cells with rather simpler sample preparation than any other techniques give great attractions to the scientists experimenting with biological samples. Among the many AFM capabilities we will specifically introduce the force plot which is used to measure tip-sample interactions and its application this time.

• Interaction and multiscale mechanics
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• v.1 no.4
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• pp.437-448
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• 2008

This paper examined the stability of high-dense dislocation substructures (HDDSs) associated with martensite laths in High Cr steels supposed to be used for FBR, based on a series of dislocation dynamics (DD) simulations. The DD simulations considered interactions of dislocations with impurity atoms and precipitates which substantially stabilize the structure. For simulating the dissociation processes, a point defect model is developed and implemented into a discrete DD code. Wall structure composed of high dense dislocations with and without small precipitates were artificially constructed in a simulation cell, and the stability/instability conditions of the walls were systematically investigated in the light of experimentally observed coarsening behavior of the precipitates, i.e., stress dependency of the coarsening rate and the effect of external stress. The effect of stress-dependent coarsening of the precipitates together with application of external stress on the subsequent behavior of initially stabilized dislocation structures was examined.

• Proceedings of the Korean Society for Noise and Vibration Engineering Conference
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• 2004.11a
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• pp.125-128
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• 2004

AFM(Atomic Force Microscope) becomes a versatile tool in the nanoscale measurements and processes. Especially the tapping mode is a very useful mode in AFM operation to measure and process at the nanoscale. Although the tapping mode has a great potential for the novel techniques such as phase imaging, however, it is not clearly known the fundamental mechanics affected by complex tip-sample interactions. This paper shows the various nonlinear dynamic features in tapping mode AFM microcantilevers including hysteretic jumps and period doublings of the microcantilevers. Also it is discussed the complex dynamics of CNT(Carbon Nanotube) probes and the opportunities on the nanoscale nonlinear dynamics.

• Publications of The Korean Astronomical Society
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• v.19 no.1
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• pp.17-20
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• 2004

In this paper, the intensity ratio of [O I] $\lambda6300$ and $H_\alpha$ lines, which plays an important role in the study of warm (or diffuse) ionized interstellar medium, is calculated assuming collisional ionization equilibrium (or coronal equilibrium). The calculated ratio is compared with the previous works, and with the observations, obtained by Reynolds (1989) and Reynolds et al. (1998) with the Wisconsin Ha Mapper facility, toward the directions that sample the faint interstellar emission-line background. The comparison confirms that most of the Ha originates from nearly fully ionized regions along the lines of sight rather than from partially ionized H I clouds or layers of H II on the surfaces of H I clouds.

• Biomolecules & Therapeutics
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• v.25 no.1
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• pp.4-11
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• 2017

Heterotrimeric G proteins are key intracellular coordinators that receive signals from cells through activation of cognate G protein-coupled receptors (GPCRs). The details of their atomic interactions and structural mechanisms have been described by many biochemical and biophysical studies. Specifically, a framework for understanding conformational changes in the receptor upon ligand binding and associated G protein activation was provided by description of the crystal structure of the ${\beta}2$-adrenoceptor-Gs complex in 2011. This review focused on recent findings in the conformational dynamics of G proteins and GPCRs during activation processes.

• Bulletin of the Korean Chemical Society
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• v.29 no.3
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• pp.627-640
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• 2008

The geometrical structures, atomic charges, and relative energies of tetracoordinated Pd complexes [PdCl3Z (Z = Cl-, Br-, OH?-, H2O, NH3, PH3), PdCl2Z2 (Z = Br-, OH?-, H2O, NH3, PH3), PdZ?2X (Z = Cl-, OH?-, H2O, NH3, PH3; X = oxalate, O2-?CCO2-), and PdZ2Y (Z = Cl?-, OH?-, H2O, NH3, PH3; Y = succinate, CO2-?CHCHCO2-?)] and the ligand exchange reactions of the Pd complexes were investigated using the ab initio second order Mller-Plesset perturbation (MP2) and Density Functional Theory (DFT) methods. The geometrical characteristics of the tetracoordinated Pd(II) complexes with mono- and bidentate ligands, the effects of the atomic charges for the charged and uncharged ligands, the (dz2-p ) interactions between the dz2-orbital of Pd(II) and the p -orbital of bidentates, and the relative stabilities between the isomers of PdCl2Z2 and PdZ2Y were investigated in detail. The potential energy surfaces for the ligand exchange reactions used for the conversions of {[PdCl2(NH3)2] + H2O} to {[PdCl(NH3)2(H2O)]+ + Cl?-?} and {[PdCl2(PH3)2] + H2O} to {[PdCl(PH3)2(H2O)]+ + Cl?-?]} were investigated. The geometrical structure variations, molecular orbital variations (HOMO and LUMO), and relative stabilities for the ligand exchange processes were also examined quantitatively.

• Tunnel and Underground Space
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• v.32 no.1
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• pp.30-58
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• 2022

The deep geological repository for high-level radioactive waste disposal is a multi barrier system comprised of engineered barriers and a natural barrier. The long-term integrity of the deep geological repository is affected by the coupled interactions between the individual barrier components. Erosion and piping phenomena in the compacted bentonite buffer due to buffer-rock interactions results in the removal of bentonite particles via groundwater flow and can negatively impact the integrity and performance of the buffer. Rapid groundwater inflow at the early stages of disposal can lead to piping in the bentonite buffer due to the buildup of pore water pressure. The physiochemical processes between the bentonite buffer and groundwater lead to bentonite swelling and gelation, resulting in bentonite erosion from the buffer surface. Hence, the evaluation of erosion and piping occurrence and its effects on the integrity of the bentonite buffer is crucial in determining the long-term integrity of the deep geological repository. Previous studies on bentonite erosion and piping failed to consider the complex coupled thermo-hydro-mechanical-chemical behavior of bentonite-groundwater interactions and lacked a comprehensive model that can consider the complex phenomena observed from the experimental tests. In this technical note, previous studies on the mechanisms, lab-scale experiments and numerical modeling of bentonite buffer erosion and piping are introduced, and the future expected challenges in the investigation of bentonite buffer erosion and piping are summarized.