• Title/Summary/Keyword: Data Perturbation

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Comparative studies of density functionals in modelling hydrogen bonding energetics of acrylamide dimers

  • Lin, Yi-De;Wang, Yi-Siang;Chao, Sheng D.
    • Coupled systems mechanics
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    • v.6 no.3
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    • pp.369-376
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    • 2017
  • Intermolecular interaction energies and conformer geometries of the hydrogen bonded acrylamide dimers have been studied by using the second-order Møller-Plesset (MP2) perturbation theory and the density functional theory (DFT) with 17 density functionals. Dunning's correlation consistent basis sets (up to aug-cc-pVTZ) have been used to study the basis set effects. The DFT calculated interaction energies are compared to the reference energy data calculated by the MP2 method and the coupled cluster method at the complete basis set (CCSD(T)/CBS) limit in order to determine the relative performance of the studied density functionals. Overall, dispersion-energy-corrected density functionals outperform uncorrected ones. The ${\omega}B97XD$ density functional is particularly effective in terms of both accuracy and computational cost in estimating the reference energy values using small basis sets and is highly recommended for similar calculations for larger systems.

기하양상을 고려한 균열 내 투수계수 산정

  • ;Ichikawa Y.
    • Proceedings of the Korean Society of Soil and Groundwater Environment Conference
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    • 2004.09a
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    • pp.159-163
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    • 2004
  • This study was conducted to calculate the permeability coefficient in a single fracture while taking the true fracture geometry into consideration. The fracture geometry was measured using the confocal laser scanning microscope (CLSM). The CLSM geometry data were used to reconstruct a fracture model for numerical analysis using a homogenization analysis (HA) method. The HA is a new type of perturbation theory developed to characterize the behavior of a micro-inhomogeneous material that involves periodic microstructures. The HA permeability was calculated based on the local geometry and local material properties (water viscosity in this case). The results show that the permeability coefficients do not follow the theoretical relationship of the cubic law.

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Comparative characteristics of the PV system according to the MPPT control Method (MPPT 제어기법에 따른 PV 시스템의 특성 비교)

  • Seo, Tae-Young;Ko, Jae-Sub;Kang, Sung-Min;Kim, Yu-Tak;Chung, Dong-Hwa
    • Proceedings of the KIEE Conference
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    • 2015.07a
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    • pp.956-957
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    • 2015
  • This paper analyzes a operating characteristic for maximum power point tracking (MPPT) of photovoltaic generation system. MPPT methods are used to maximize PV array output power by tracking maximum power point(MPP) continuously. To increase the output efficiency of PV system, it is important to have more efficient MPPT. MPPT algorithm is widely used the control method such as the perturbation and observation(PO) method, incremental conductance(IC) method and constant voltage(CV) method. In case of the radiation is changed, this paper proposes a response characteristic with MPPT control algorithms. Also, it proposes the direct for a novel MPPT control algorithm development through the analyzed data, hereby proves the effectiveness of this paper.

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ON STABILITY OF A TRANSFMISSION PROBLEM

  • Kang, Hyeon-Bae;Seo, Jin-Keun
    • Journal of the Korean Mathematical Society
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    • v.34 no.3
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    • pp.695-706
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    • 1997
  • We investigate the bahivor of the gradient of solutions to the refraction equation $div(( 1+ (k - 1)_\chi D)\nabla u) = 0$ under perturbation of domain D. If $u_h$ are solutions to the refraction equation corresponding to subdomains D and $D_h$ of a domain $\Omega$ in 2 dimensional plane with the same Neumann data on $\partial\Omega$, respectively, we prove that $\left\$\mid$ \nabla(u - u_h) \right\$\mid$_{L^2(\Omega)} \leq C\sqrt{dist(D, D_h)}$ where $dist(D, D_h)$ is the Hausdorff distance between D and $D_h$. We also show that this is the best possible result.

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THE DELTA STANDING WAVE SOLUTION FOR THE LINEAR SCALAR CONSERVATION LAW WITH DISCONTINUOUS COEFFICIENTS USING A SELF-SIMILAR VISCOUS REGULARIZATION

  • LI, XIUMEI;SHEN, CHUN
    • Bulletin of the Korean Mathematical Society
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    • v.52 no.6
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    • pp.1945-1962
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    • 2015
  • This paper is mainly concerned with the formation of delta standing wave for the scalar conservation law with a linear flux function involving discontinuous coefficients by using the self-similar viscosity vanishing method. More precisely, we use the self-similar viscosity to smooth out the discontinuous coefficient such that the existence of approximate viscous solutions to the delta standing wave for the Riemann problem is established and then the convergence to the delta standing wave solution is also obtained when the viscosity parameter tends to zero. In addition, the Riemann problem is also solved with the standard method and the instability of Riemann solutions with respect to the specific small perturbation of initial data is pointed out in some particular situations.

Laser Thomson Scattering for Measuring Plasma Temperature and Density in ICP

  • Seo, Byeong-Hun;Yu, Sin-Jae;Kim, Jeong-Hyeong;Jang, Hong-Yeong
    • Proceedings of the Korean Vacuum Society Conference
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    • 2011.08a
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    • pp.144-144
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    • 2011
  • Diagnostics of plasma density and temperature play an important role for monitoring plasma processing and Laser Thomson scattering is a one of the most accurate diagnostic technique for measuring plasma density and temperature because of none-perturbation to plasma among various diagnostic techniques invented to measure plasma density and temperature. I will briefly review Laser Thomson scattering experiment performed in KRISS and difficulties for measuring the electron velocity distribution such as Gaussian due to low signal-to-noise ratio with showing results that we got until now. This work is an intermediate step in a process that we will get a reliable data which shows physical phenomenon of plasma compared with other diagnostic techniques and results.

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Damage Assessment and A seismic Capacity Evaluation of Existing Structures (기설구조물의 손상도추정 및 내진능력평가 방법에 관한 연구)

  • 윤정방;송종걸;김유진
    • Proceedings of the Computational Structural Engineering Institute Conference
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    • 1998.04a
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    • pp.414-421
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    • 1998
  • The content of this paper consists of two related subjects. One is the assessment of damages in the existing structure and the other is the evaluation of seismic capacity of the structure with damage. A method is presented for damage assessment of existing structures using the modal data measured at limited points by the inverse medal perturbation technique. For efficient damage assessment, the number of the unknown probable damaged members is reduced for each damage identification by grouping the members in the large structure. The aseismic capacity is evaluated for the structure using the results of damage assessment. An example analysis is carried out for a building structure subjected to different earthquake excitations.

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Ab initio Effective Hamiltonian Calculations on the Valence States of SiH, $SiH^+$, PH and $PH^+$

  • Park Jong Keun;Sun Hosung
    • Bulletin of the Korean Chemical Society
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    • v.13 no.4
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    • pp.429-440
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    • 1992
  • The second order ab initio effective valence shall Hamiltonian ($H^v$) which is based on quasidegenerate many-body perturbation theory is applied to the SiH, PH, and their positive ions. A singie Hv computation for the neutral molecule is used for a whole set of valence states of a molecule and its ion simultaneously. The low-lying valence state potential energy curves of SiH, PH and their positive ions are computed. And various spectroscopic constants of the low-lying bound valence states are determined from the potential energy curves. The $H^v$ results are found to be in good agreement with other theoretical and experimental data.

Constraints on scalar field models of dark energy.

  • Lee, Da-hee;Park, Chan-Gyung;Hwang, Jai-chan
    • The Bulletin of The Korean Astronomical Society
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    • v.44 no.1
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    • pp.41.1-41.1
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    • 2019
  • We consider dynamical dark energy models based on a minimally coupled scalar field with three different potentials: the inverse power-law, SUGRA and double exponential potentials. For each model, we derived perturbation initial conditions in the early epoch and performed the Markov Chain Monte Carlo (MCMC) analysis to explore the parameter space that is favored by the current cosmological observations like Planck CMB anisotropy, type Ia supernovae, and baryon acoustic oscillation data. The analysis has been done by using the modified CAMB/COSMOMC code in which the dynamical evolution of the scalar field perturbations are fully considered. The MCMC constraints on the cosmological as well as potential parameters are derived. In the talk we will present a progress report.

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Computer Aided Bondgraphs Modeling and Simulation of Hydrostatic Transmission (유압 트랜스미션의 본드선도 모델링 및 시뮬레이션)

  • Woo, Seongwoo;Park, Raeseok;Lee, Jongkil
    • Journal of the Korean Society for Precision Engineering
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    • v.13 no.12
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    • pp.54-62
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    • 1996
  • To get the time response characteristics of the hydrostatic transmission, seaborne winch is modelde by using bond graphs. After modeling of its basic elements, it is represented as power flow, and the determination of variable causality. The state equations are derived by using CAMP. As dynamic stabilites and solutions are investigated by perturbation method and direct integration, winch system is stable. Simulations are performed under the conditions of low speed, high speed, and maximum tension. The pressure and flow rate of the hydrostatic transmission have a big overshoot. But when it is comparaed to the empirical data with simulation results, it is similar to each other. When a lead compensator is applied to improve response characteristics of the hydrostatic transmission, rise time and overshoot of the system are improved.

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