• Korean Journal of Materials Research
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• v.16 no.2
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• pp.92-98
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• 2006

Molecular dynamics simulations were performed to study interface structures between an $Al_2O_3$ crystalline phase and a interface phase of $CaAl_2Si_2O_8$. We calculated atomic structures and excess interface energies in systems with different thicknesses of the interface film. It was found that excess interface energies at first readily decreased with increasing film thickness, but increased for larger thicknesses of more than 2 nm. The excess energies of $Al_2O_3/CaAl_2Si_2O_8$ interfaces exhibit a minimum at a thickness around 1 nm. In this range of film thicknesses, the atoms in the interface film show a short-range ordered structure and slow diffusion rather than the random structure and rapid diffusion expected to an observation of an equilibrium thickness for interface films in ceramics.

• Korean Journal of Materials Research
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• v.30 no.2
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• pp.99-104
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• 2020

Recent discoveries of ferroelectric properties in ultrathin doped hafnium oxide (HfO₂) have led to the expectation that HfO₂ could overcome the shortcomings of perovskite materials and be applied to electron devices such as Fe-Random access memory (RAM), ferroelectric tunnel junction (FTJ) and negative capacitance field effect transistor (NC-FET) device. As research on hafnium oxide ferroelectrics accelerates, several models to analyze the polarization switching characteristics of hafnium oxide ferroelectrics have been proposed from the domain or energy point of view. However, there is still a lack of in-depth consideration of models that can fully express the polarization switching properties of ferroelectrics. In this paper, a Zr-doped HfO₂ thin film based metal-ferroelectric-metal (MFM) capacitor was implemented and the polarization switching dynamics, along with the ferroelectric characteristics, of the device were analyzed. In addition, a study was conducted to propose an applicable model of HfO₂-based MFM capacitors by applying various ferroelectric switching characteristics models.

• Journal of Ocean Engineering and Technology
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• v.29 no.3
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• pp.255-262
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• 2015

The present study developed a numerical simulation tool for the coupled dynamic analysis of multiple turbines on a single floater (or Multiple Unit Floating Offshore Wind Turbine (MUFOWT)) in the time domain, considering the multiple-turbine aero-blade-tower dynamics and control, mooring dynamics, and platform motions. The numerical tool developed in this study was designed based on and extended from the single-turbine analysis tool FAST to make it suitable for multiple turbines. For the hydrodynamic loadings of floating platform and mooring-line dynamics, the CHARM3D program developed by the authors was incorporated. Thus, the coupled dynamic behavior of a floating base with multiple turbines and mooring lines can be simulated in the time domain. To investigate the effect of asymmetric aerodynamic loading on the global performance and mooring line tensions of the MUFOWT, one turbine failure case with a fully feathered blade pitch angle was simulated and checked. The aerodynamic interference between adjacent turbines, including the wake effect, was not considered in this study to more clearly demonstrate the influence of the asymmetric aerodynamic loading on the MUFOWT. The analysis shows that the unbalanced aerodynamic loading from one turbine in MUFOWT may induce appreciable changes in the performance of the floating platform and mooring system.

• The Bulletin of The Korean Astronomical Society
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• v.41 no.1
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• pp.47.2-47.2
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• 2016

The protons and helium ions in the solar wind are observed to possess anisotropic temperature profiles. The anisotropy appears to be limited by various marginal instability conditions. One of the efficient methods to investigate the global dynamics and distribution of various temperature anisotropies in the large-scale solar wind models may be that based upon the macroscopic quasi-linear approach. The present paper investigates the proton and helium ion anisotropy instabilities on the basis of comparison between the quasi-linear theory versus particle-in-cell simulation. It is found that the overall dynamical development of the particle temperatures is quite accurately reproduced by the macroscopic quasi-linear scheme. The wave energy development in time, however, shows somewhat less restrictive comparisons, indicating that while the quasi-linear method is acceptable for the particle dynamics, the wave analysis probably requires higher-order physics, such as wave-wave coupling or nonlinear wave-particle interaction. We carried out comparative studies of proton firehose instability, aperiodic ordinary mode instability, and helium ion anisotropy instability. It was found that the agreement between QL theory and PIC simulation is rather good. It means that the quasilinear approximation enjoys only a limited range of validity, especially for the wave dynamics and for the relatively high-beta regime.

• Ocean Systems Engineering
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• v.6 no.1
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• pp.1-21
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• 2016

The global performance of the 5 MW OC4 semisubmersible floating wind turbine in random waves with or without steady/dynamic winds is numerically simulated by using the turbine-floater-mooring fully coupled dynamic analysis program FAST-CHARM3D in time domain. The numerical simulations are based on the complete second-order diffraction/radiation potential formulations along with nonlinear viscous-drag force estimations at the body's instantaneous position. The sensitivity of hull motions and mooring dynamics with varying wave-kinematics extrapolation methods above MWL(mean-water level) and column drag coefficients is investigated. The effects of steady and dynamic winds are also illustrated. When dynamic wind is added to the irregular waves, it additionally introduces low-frequency wind loading and aerodynamic damping. The numerically simulated results for the 5 MW OC4 semisubmersible floating wind turbine by FAST-CHARM3D are also extensively compared with the DeepCWind model-test results by Technip/NREL/UMaine. Those numerical-simulation results have good correlation with experimental results for all the cases considered.

• Bulletin of the Korean Chemical Society
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• v.34 no.8
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• pp.2473-2479
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• 2013

The kinetics of the radical-polar molecule reaction $CH_3+HBr{\rightarrow}CH_4+Br$ has been studied at temperatures between 150 and 1000 K using classical dynamics procedures. Potential energy surfaces constructed using analytical forms of inter- and intramolecular interaction energies show a shallow well and barrier in the entrance channel, which affect the collision dynamics at low temperatures. Different collision models are used to distinguish the reaction occurring at low- and high-temperature regions. The reaction proceeds rapidly via a complex-mode mechanism below room temperature showing strong negative temperature dependence, where the effects of molecular attraction, H-atom tunneling and recrossing of collision complexes are found to be important. The temperature dependence of the rate constant between 400 and 1000 K is positive, the values increasing in accordance with the increase of the mean speed of collision. The rate constant varies from $7.6{\times}10^{-12}$ at 150 K to $3.7{\times}10^{-12}$ at 1000 K via a minimum value of $2.5{\times}10^{-12}\;cm^3\;molecule^{-1}\;s^{-1}$ at 400 K.

• Coupled systems mechanics
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• v.3 no.4
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• pp.329-344
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• 2014

In this work, quantum molecular dynamics simulations (QMD) are preformed to study the hydrogen molecules in three types of carbon nanostructures, $C_{60}$ fullerene, (5,5) and (9,0) carbon nanotubes and graphene layers. Interactions between hydrogen and the nanostructures is of importance to understand hydrogen storage for the development of hydrogen economy. The QMD method overcomes the difficulties with empirical interatomic potentials to model the interaction among hydrogen and carbon atoms in the confined geometry. In QMD, the interatomic forces are calculated by solving the Schrodinger's equation with the density functional theory (DFT) formulation, and the positions of the atomic nucleus are calculated with the Newton's second law in accordance with the Born-Oppenheimer approximation. It is found that the number of hydrogen atoms that is less than 58 can be stored in the $C_{60}$ fullerene. With larger carbon fullerenes, more hydrogen may be stored. For hydrogen molecules passing though the fullerene, a particular orientation is required to obtain least energy barrier. For carbon nanotubes and graphene, adsorption may adhere hydrogen atoms to carbon atoms. In addition, hydrogen molecules can also be stored inside the nanotubes or between the adjacent layers in graphite, multi-layer graphene.

• Current Applied Physics
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• v.18 no.11
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• pp.1313-1319
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• 2018

The coil-to-globule behavior of poly{${\gamma}$-2-[2-(2methoxyethoxy)ethoxy]ethoxy-3-caprolactone} (PMEEECL) as a ${\gamma}$-substituted poly (${\varepsilon}$-caprolactone) was investigated via atomistic molecular dynamics (MD) simulation. For this purpose, radius of gyration, end-to-end distance and radial distribution function of the chain in the presence of water were calculated. Consequently, the lower critical solution temperature (LCST) of PMEEECL chain at which the coil-to-globule transition takes place, was determined in each calculated parameter curve. The simulation results indicated that the LCST of PMEEECL was occurred at close to 320 K, which is in a good agreement with previous experimental results. Additionally, the appearance of sudden change in both Flory-Huggins interaction parameter (${\chi}$) and interaction energy between the PMEEECL chain and water molecules at about 320 K confirmed the calculated LCST result. The radial distribution function (RDF) results showed that the affinity of the PMEEECL side chain to water molecules is lower than its backbone.

• Journal of the Korean Institute of Electrical and Electronic Material Engineers
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• v.35 no.4
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• pp.311-321
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• 2022

The report reviews recent research efforts in demonstrating a computing system whose operation principle mimics the dynamics of biological neurons. The temporal variation of the membrane potential of neurons is one of the key features that contribute to the information processing in the brain. We first summarize the neuron models that explain the experimentally observed change in the membrane potential. The function of ion channels is briefly introduced to understand such change from the molecular viewpoint. Dedicated circuits that can simulate the neuronal dynamics have been developed to reproduce the charging and discharging dynamics of neurons depending on the input ionic current from presynaptic neurons. Key elements include volatile memristors that can undergo volatile resistance switching depending on the voltage bias. This behavior called the threshold switching has been utilized to reproduce the spikes observed in the biological neurons. Various types of threshold switch have been applied in a different configuration in the hardware demonstration of neurons. Recent studies revealed that the memristor-based circuits could provide energy and space efficient options for the demonstration of neurons using the innate physical properties of materials compared to the options demonstrated with the conventional complementary metal-oxide-semiconductors (CMOS).

• Journal of Yeungnam Medical Science
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• v.41 no.2
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• pp.61-73
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• 2024

Acute kidney ischemia-reperfusion (IR) injury is a life-threatening condition that predisposes individuals to chronic kidney disease. Since the kidney is one of the most energy-demanding organs in the human body and mitochondria are the powerhouse of cells, mitochondrial dysfunction plays a central role in the pathogenesis of IR-induced acute kidney injury. Mitochondrial dysfunction causes a reduction in adenosine triphosphate production, loss of mitochondrial dynamics (represented by persistent fragmentation), and impaired mitophagy. Furthermore, the pathological accumulation of succinate resulting from fumarate reduction under oxygen deprivation (ischemia) in the reverse flux of the Krebs cycle can eventually lead to a burst of reactive oxygen species driven by reverse electron transfer during the reperfusion phase. Accumulating evidence indicates that improving mitochondrial function, biogenesis, and dynamics, and normalizing metabolic reprogramming within the mitochondria have the potential to preserve kidney function during IR injury and prevent progression to chronic kidney disease. In this review, we summarize recent advances in understanding the detrimental role of metabolic reprogramming and mitochondrial dysfunction in IR injury and explore potential therapeutic strategies for treating kidney IR injury.