• Advances in nano research
• /
• v.15 no.3
• /
• pp.263-275
• /
• 2023

The electron transport properties of Y-type zigzag branched carbon nanotubes (CNTs) are of great significance for micro and nano carbon-based electronic devices and their interconnection. Based on the semi-empirical method combining tight-binding density functional theory and non-equilibrium Green's function, the electron transport properties between the branches of Y-type zigzag branched CNT are studied. The results show that the drain-source current of semiconducting Y-type zigzag branched CNT (8, 0)-(4, 0)-(4, 0) is cut-off and not affected by the gate voltage in a bias voltage range [-0.5 V, 0.5 V]. The current presents a nonlinear change in a bias voltage range [-1.5 V, -0.5 V] and [0.5 V, 1.5 V]. The tangent slope of the current-voltage curve can be changed by the gate voltage to realize the regulation of the current. The regulation effect under negative bias voltage is more significant. For the larger diameter semiconducting Y-type zigzag branched CNT (10, 0)-(5, 0)-(5, 0), only the value of drain-source current increases due to the larger diameter. For metallic Y-type zigzag branched CNT (12, 0)-(6, 0)-(6, 0), the drain-source current presents a linear change in a bias voltage range [-1.5 V, 1.5 V] and is symmetrical about (0, 0). The slope of current-voltage line can be changed by the gate voltage to realize the regulation of the current. For three kinds of Y-type zigzag branched CNT with different diameters and different conductivity, the current-voltage curve trend changes from decline to rise when the branch of drain-source is exchanged. The current regulation effect of semiconducting Y-type zigzag branched CNT under negative bias voltage is also more significant.

• Structural Engineering and Mechanics
• /
• v.10 no.4
• /
• pp.371-392
• /
• 2000

Application of "advanced analysis" methods suitable for non-linear analysis and design of steel frame structures permits direct and accurate determination of ultimate system strengths, without resort to simplified elastic methods of analysis and semi-empirical specification equations. However, the application of advanced analysis methods has previously been restricted to steel frames comprising only compact sections that are not influenced by the effects of local buckling. A concentrated plasticity method suitable for practical advanced analysis of steel frame structures comprising non-compact sections is presented in this paper. The pseudo plastic zone method implicitly accounts for the effects of gradual cross-sectional yielding, longitudinal spread of plasticity, initial geometric imperfections, residual stresses, and local buckling. The accuracy and precision of the method for the analysis of steel frames comprising non-compact sections is established by comparison with a comprehensive range of analytical benchmark frame solutions. The pseudo plastic zone method is shown to be more accurate and precise than the conventional individual member design methods based on elastic analysis and specification equations.

• The Korean Journal of Ceramics
• /
• v.6 no.3
• /
• pp.240-244
• /
• 2000

The three-dimensional orientation distribution function of a conical shaped tungsten liner prepared by the thermo-mechanical forming process was analyzed by 1.525$\AA$ neutrons to carry out the Rietveld refinement. The pole figure data of three reflections, (110)(220) and (211) were measured. The orientation distribution functions for the normal and radial directions were calculated by the WIMV method. The inverse pole figures of the normal and radial directions were obtained from their orientation distribution functions. The Rietveld refinement was performed with the RIETAN program that was slightly modified for the description of preferred orientation effect. We could successfully do the Rietveld refinement of the strongly textured tungsten liner by applying the pole density of each reflection obtained from the inverse pole figure to the calculated diffraction pattern. The correction method of preferred orientation effect based on the inverse pole figures showed a good improvement over the semi-empirical texture correction based on the direct usage of simple empirical functions.

• Transactions of the Korean Society of Mechanical Engineers B
• /
• v.29 no.4 s.235
• /
• pp.526-536
• /
• 2005

A heat dissipation modeling method of EEE parts, or semi-empirical heat dissipation method, is developed for thermal design and analysis an electronic equipment of geostationary satellite. The power consumption measurement value of each functional breadboard is used for the heat dissipation modeling method. For the purpose of conduction heat transfer modeling of EEE parts, surface heat model using very thin ignorable thermal plates is developed instead of conventional lumped capacity nodes. The thermal plates are projected to the printed circuit board and can be modeled and modified easily by numerically preprocessing programs according to design changes. These modeling methods are applied to the thermal design and analysis of CTU (Command and Telemetry Unit) and verified by thermal cycling and vacuum tests.

• Journal of the Korean Society for Precision Engineering
• /
• v.14 no.9
• /
• pp.90-100
• /
• 1997

A full three-dimensional thermo-coupled rigid-viscoplastic finite element method and the currently developed microstructural evolution system which includes semi-empirical equations suggested by different research groups were used together to form an integrated system of process and micro- structure simulation of hot rolling. The distribution and time histroy of the momechanical variables such as temperature, strain, strain rate, and time during pass and between passes were obtained from the finite element analysis of multipass hot rolling processes. The distribution of metallurgical variables were calculated on the basis of instantaneous thermomechanical data. For the verification of this method the evolution of microstructure in plate rolling and shape rolling was simulated and their results were compared with the data available in the literature. Consequently, this approach makes it possible to describe the realistic evolution of microstructure by avoiding the use of erroneous average value and can be used in CAE of multipass hot rolling.

• Geomechanics and Engineering
• /
• v.5 no.5
• /
• pp.379-399
• /
• 2013

In practice, analysis of laterally loaded piles is carried out using beams on non-linear Winkler springs model (often known as p-y method) due to its simplicity, low computational cost and the ability to model layered soils. In this approach, soil-pile interaction along the depth is characterized by a set of discrete non-linear springs represented by p-y curves where p is the pressure on the soil that causes a relative deformation of y. p-y curves are usually constructed based on semi-empirical correlations. In order to construct API/DNV proposed p-y curve for clay, one needs two values from the monotonic stress-strain test results i.e., undrained strength ($s_u$) and the strain at 50% yield stress (${\varepsilon}_{50}$). This approach may ignore various features for a particular soil which may lead to un-conservative or over-conservative design as not all the data points in the stress-strain relation are used. However, with the increasing ability to simulate soil-structure interaction problems using highly developed computers, the trend has shifted towards a more theoretically sound basis. In this paper, principles of Mobilized Strength Design (MSD) concept is used to construct a continuous p-y curves from experimentally obtained stress-strain relationship of the soil. In the method, the stress-strain graph is scaled by two coefficient $N_C$ (for stress) and $M_C$ (for strain) to obtain the p-y curves. $M_C$ and $N_C$ are derived based on Semi-Analytical Finite Element approach exploiting the axial symmetry where a pile is modelled as a series of embedded discs. An example is considered to show the application of the methodology.

• Journal of the Korean Society for Aeronautical & Space Sciences
• /
• v.48 no.11
• /
• pp.849-859
• /
• 2020

The semi-empirical equation and commercial computational tool were used to predict the base drag of a guided missile with free-stream Mach numbers and chamber pressures, and the results were generally agree each other. Differences in flow characteristics and base drags were observed with over/under expansion conditions by the nozzle. Under the over-expansion condition, the base pressure decreased as the expansion fan was generated at upper region of the base, and base pressure decreased further with increasing free-stream Mach number as the expansion becomes strong. Under the under-expansion conditions, a shock wave was generated around the base by the influence of the nozzle flow, which increased the base pressure, and the effect increased as the chamber pressure increased. Under the same chamber pressure condition, as the free-stream Mach number increases, the characteristic that the base pressure decreases as the shock wave generated at the base moves downstream was observed.

• Journal of the Korean Chemical Society
• /
• v.31 no.1
• /
• pp.3-13
• /
• 1987

Infrared absorption spectra of alkyl alcohols in the OH stretching region were obtained from varying the concentrations of alcohols in $CCl_4$. The OH stretching bands were broadened and shifted to lower frequencies due to the hydrogen-bond formation. Three bands were obtained from the breakdown of these bands by the simplex method. Each band was assigned to various types of hydrogen-bonded OH groups. The electronic structures and interaction energies of dimeric and trimeric alcohols were calculated by semi-empirical MO(CNDO/2, INDO) methods. These results were in good agreement with those of deconvoluted ir spectra. The EDA(electron donor-acceptor) effect of alkyl group on hydrogen-bond formation was in the decreasing order of butyl > propyl > ethyl > methyl group. On the other hand, the experimental results were in the order : propyl > ethyl > butyl > methyl group. This seemed to be ascribed to the bulkiness of butyl alcohol.

• Journal of the Korean Electrochemical Society
• /
• v.16 no.3
• /
• pp.177-183
• /
• 2013

As the development of available binder in the harsh conditions is needed, we propose the proper binder for high-voltage lithium-ion secondary batteries based on the quantum chemistry modeling. The optimized structures, HOMO (Highest Occupied Molecular Orbital) energies and ionization potentials of 4 binders, which were considered from monomer to tetramer, were investigated by the semi-empirical and DFT (Density Functional Theory) calculations. The results show that the ionization potential values by calculation tend to be close to the oxidation potentials from the measurement of linear sweep voltametry (LSV). The order of oxidative resistance from high value to low value is following: poly(hexafluropropylene), poly(vinylidene fluoride), poly(methyl acrylate) and poly(acryl amide). Also these results correspond with the experimental values. Thus, we find the reason why HOMO (Highest Occupied Molecular Orbital) energy of PHFP has the highest value than other binders by analysis of HOMO orbital structures.

• Bulletin of the Korean Chemical Society
• /
• v.23 no.1
• /
• pp.48-52
• /
• 2002

Using several molecular modeling programs we have performed computer simulations to investigate the complexation behaviors of an ester derivative of p-tert-butylcalix[5]arene (1e) toward a variety of butylammonium ions. Semi-empirical AM1 method was used for calculating the binding energies and the formation enthalpies. MM and CVFF forcefields for molecular mechanics calculations were adapted to express the complexation energies of the host. Molecular dynamics were performed to the calculated complex systems to simulate the ionophoric behavior of the host-guest complexes. The absolute Gibbs free energies of the host (1e) complexed with four kinds of butylammonium ions have been calculated using the Finite Difference Thermodynamic Integration (FDTI) method in Discover. Calculation results show that the trend in complex formation is n-$BuNH_3^+$ > iso-$BuNH_3^+$ >> sec-$BuNH_3^+$ > tert-$BuNH_3^+$, which is in good agreement with the experimental results.