• Title/Summary/Keyword: interaction curves

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Study of the Valence and Rydberg States of a Lithium Dimer by the Multi-reference Configuration-interaction Method

  • Lee, Chun-Woo
    • Bulletin of the Korean Chemical Society
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    • v.35 no.5
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    • pp.1422-1432
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    • 2014
  • Convergent all-electron multi-reference configuration-interaction (MRCI) calculations are performed for a lithium dimer with Kaufmann's Rydberg basis functions. A comparison of the results of these calculations with those of the effective core potential/core polarization potential (ECP/CPP) method and experimental data reveals the deficiency of the all-electron ab initio method. The deficiency is related to the mere 51.9% attainment of electron correlation for the ground state. The percent attainment of electron correlation for the first excited state is slightly better than that for the ground state, preventing us from obtaining better agreements with experimental data by means of increasing the size of basis sets. The Kaufmann basis functions are then used with the ECP/CPP method to obtain the accurate convergent potential energy curves for the $^1\prod_u$ states correlated to Li(2p) + Li(2p) and Li(2s) + Li(n = 2, 3, 4). Quantum defect curves (QDCs) calculated for both the $X^2\sum_g$ and 1 $^2\prod_u$ states of the $Li{_2}^+$ ion and the Lu-Fano plot reveal a strong series-series interaction between the two $2snp{\pi}$ and $2pnp{\pi}$ Rydberg series. The QDCs are then used to resolve assignment problems in the literature. The reassignments, performed by Jedrzejewski-Szemek et al., of the dissociation product of the D $^1\prod$ state from (2s+3d) to (2s+3p) and that of the 6 $^1\prod_u$ from (2s+4d) to (2s+4p) are found to be incorrect. It may be more natural to assign their $2snp{\pi}$ Rydberg series as a $2snd{\pi}$ series. The state, assigned as 5p $^1\prod_u$ by Ross et al. and 4d $^1\prod$ by Jedrzejewski-Szemek et al., is assigned as the 7 $^1\prod_u$ state, correlated to the Li(2s) + Li(4f) limit.

Phase Equilibrium Study on the Ternary System of SBR/EPDM/Solvent (SBR, EPDM 및 Solvent로 이루어진 삼성분계의 상 평형에 관한 연구)

  • Go, Jin-Hwan;Park, Byung-Ho
    • Elastomers and Composites
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    • v.37 no.4
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    • pp.211-216
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    • 2002
  • The polymer-polymer interaction parameter, x 23t, of the styrene-butadiene polymer (SBR) and ethylene-propylene-diene terpolymer (EPDM) was investigated by observing the phase behavior of the ternary system of SBR/EPDM/solvent. The solvent used in this study was benzene acting as a good solvent for SBR but as a poor solvent for EPDM. Ternary solutions with various concentrations and mixing ratios of the two component polymers were separated into two phases by temperature change The cloud point curves (CPC) showed that the differerence of solvent affinities toward each polymer and the repulsive interaction between two polymers considerably affect the shape of CPC near 15℃. In the temperature range of 5℃ ~ 25℃, incompatible behaviours arised from both the difference of mixing ratios and concentration were clearly observed. Also the phase separation temperature greatly influenced on the composition of each separated phase. The calculated x 23t values from Flory-Huggins theory were in the range of 0.6301 ~ 1.0775, which suggest that the SBR/EPDM systems are incompatible.

Investigation and Analysis of the Occurrence of Rail Head Checks

  • Jin, Ying;Aoki, Fusayoshi;Ishida, Makoto;Namura, Akira
    • International Journal of Railway
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    • v.2 no.2
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    • pp.43-49
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    • 2009
  • Wear and rolling contact fatigue (RCF) defects are most important causes of rail damage, and often interaction competitive at present railway track. Head check is one of rolling contact fatigue (RCF) defects, and generally occurs in mild circular curves and transition curves that are set at both ends of sharp circular curves. Wear tends to limit the crack growth of head checks by removing the material from the RCF surface. In order to clarify the conditions of the occurrence and growth of head checks, the authors measured the interacting forces between wheels and rails and the angle of attack of wheelset, and carried out contact analyses using the actual profile data of wheels and rails. The effects of the lateral force, the contact geometry, and the wear rate at rail gauge comer on the formation of head checks were also analyzed by using the worn profiles of actual wheels and rails and the data obtained by a track inspection car. Some specific range of wear rate at the gauge comer was identified as having close relation with occurrence of head checks.

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Analytical fragility curves of a structure subject to tsunami waves using smooth particle hydrodynamics

  • Sihombing, Fritz;Torbol, Marco
    • Smart Structures and Systems
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    • v.18 no.6
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    • pp.1145-1167
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    • 2016
  • This study presents a new method to computes analytical fragility curves of a structure subject to tsunami waves. The method uses dynamic analysis at each stage of the computation. First, the smooth particle hydrodynamics (SPH) model simulates the propagation of the tsunami waves from shallow water to their impact on the target structure. The advantage of SPH over mesh based methods is its capability to model wave surface interaction when large deformations are involved, such as the impact of water on a structure. Although SPH is computationally more expensive than mesh based method, nowadays the advent of parallel computing on general purpose graphic processing unit overcome this limitation. Then, the impact force is applied to a finite element model of the structure and its dynamic non-linear response is computed. When a data-set of tsunami waves is used analytical fragility curves can be computed. This study proves it is possible to obtain the response of a structure to a tsunami wave using state of the art dynamic models in every stage of the computation at an affordable cost.

Effect of biaxial stress state on seismic fragility of concrete gravity dams

  • Sen, Ufuk;Okeil, Ayman M.
    • Earthquakes and Structures
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    • v.18 no.3
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    • pp.285-296
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    • 2020
  • Dams are important structures for management of water supply for irrigation or drinking, flood control, and electricity generation. In seismic regions, the structural safety of concrete gravity dams is important due to the high potential of life and economic loss if they fail. Therefore, the seismic analysis of existing dams in seismically active regions is crucial for predicting responses of dams to ground motions. In this paper, earthquake response of concrete gravity dams is investigated using the finite element (FE) method. The FE model accounts for dam-water-foundation rock interaction by considering compressible water, flexible foundation effects, and absorptive reservoir bottom materials. Several uncertainties regarding structural attributes of the dam and external actions are considered to obtain the fragility curves of the dam-water-foundation rock system. The structural uncertainties are sampled using the Latin Hypercube Sampling method. The Pine Flat Dam in the Central Valley of Fresno County, California, is selected to demonstrate the methodology for several limit states. The fragility curves for base sliding, and excessive deformation limit states are obtained by performing non-linear time history analyses. Tensile cracking including the complex state of stress that occurs in dams was also considered. Normal, Log-Normal and Weibull distribution types are considered as possible fits for fragility curves. It was found that the effect of the minimum principal stress on tensile strength is insignificant. It is also found that the probability of failure of tensile cracking is higher than that for base sliding of the dam. Furthermore, the loss of reservoir control is unlikely for a moderate earthquake.

Analysis of soil resistance on drilled shafts using proposed cyclic p-y curves in weathered soil

  • Jeong, Sangseom;Park, Jeongsik;Ko, Junyoung;Kim, Byungchul
    • Geomechanics and Engineering
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    • v.12 no.3
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    • pp.505-522
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    • 2017
  • A fundamental study of drilled shafts-soil systems subjected to lateral cyclic loading in weathered soil was conducted using numerical analyses. The emphasis was on quantifying the soil resistance of laterally cyclic loaded pile using 3D finite element analysis. The appropriate parametric studies needed for verifying the cyclic p-y characteristic are presented in this paper. A framework for determining the cyclic lateral load transfer curve (p-y curves) on the basis of numerical analyses is proposed. Through comparisons with results of field load tests, the three-dimensional numerical methodology in the present study is in good agreement with the general trend observed by in situ measurements and thus, represents a realistic soil-pile interaction for laterally loaded piles in soil than that of existing p-y method. It can be said that a rigorous present analysis can overcome the limitations of existing cyclic p-y methods to some extent by considering the effect of realistic three-dimensional combination of pile-soil forces. The proposed cyclic p-y curve is shown to be capable of predicting the behavior of the drilled shafts in weathered soil.

Determination of the Distribution of the Preisach Density Function With Optimization Algorithm

  • Hong Sun-Ki;Koh Chang Seop
    • KIEE International Transaction on Electrical Machinery and Energy Conversion Systems
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    • v.5B no.3
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    • pp.258-261
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    • 2005
  • The Preisach model needs a distribution function or Everett function to simulate the hysteresis phenomena. To obtain these functions, many experimental data obtained from the first order transition curves are usually required. In this paper, a simple procedure to determine the Preisach density function using the Gaussian distribution function and genetic algorithm is proposed. The Preisach density function for the interaction field axis is known to have Gaussian distribution. To determine the density and distribution, genetic algorithm is adopted to decide the Gaussian parameters. With this method, just basic data like the initial magnetization curve or saturation curves are enough to get the agreeable density function. The results are compared with experimental data and we got good agreements comparing the simulation results with the experiment ones.

$T^{3/2}$ Temperature Dependence of Magnetization of Amorphous $Fe_{80-x}Co_xB_{20}$ (비정질합금 $Fe_{80-x}Co_xB_{20}$ 자화값의 $T^{3/2}$ 온도 의존성)

  • Yu, Byeong-Du;Kim, Jong-O;Kim, Gyeong-Seop;Yu, Seong-Cho
    • Journal of the Korean Magnetics Society
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    • v.2 no.3
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    • pp.211-215
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    • 1992
  • The temperature-dependent saturation magnetization curves of amorphous $Fe_{80-x}Co_xB_{20}$ (8 ${\le}$ x ${\le}$ 40, the step of x is 8) alloys were measured using a vibrating sample magnetometer from 77 K up to 1000 K. Curie temperature and the Bloch coefficient were estimated from the saturation magnetization curves. The low temperature dependence of magnetization is in good agreement with Bloch relation, $M_s(T)$=$M_s(O)$ (1-$BT^{3/2}$ - ${\cdots}.$). The spin wave stiffness constant, tne range of the exchange interaction, and the probable atomic spin were calculated from the saturation magnetization values.

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Thixotropic Properties of Polyacrylamide Hydrogels with Various Synthetic Conditions (합성조건에 따른 Polyacrylamide 수화 겔의 흐름변성 성질)

  • Kim, Nam-Jeong
    • Journal of the Korean Chemical Society
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    • v.50 no.6
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    • pp.447-453
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    • 2006
  • of synthetic conditions and water content on rheological properties of polyacrylamide hydrogels were studied. The non-Newtonian flow curves of polyacrylamide hydrogels were obtained by using a cone-plate rheometer. The rheological parameters were obtained by applying non-Newtonian equation to the flow curves for polyacrylamide hydrogels. The polyacrylamide hydrogels are shear thinning under increasing shear rate modes which result in thixotropic behavior. These flow properties are controlled by the characteristics of flow units and the interaction among the flow segments.

THE PHOTOMETRIC STUDY FOR THE LONG PERIOD INTERACTION CLOSE BINARY AQ CAS (상호작용이 심한 장주기 근접 쌍성계 AQ Cas의 측광학적 연구)

  • 이용삼;전용우
    • Journal of Astronomy and Space Sciences
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    • v.8 no.1
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    • pp.73-83
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    • 1991
  • UBV light curves of an early type close binary AQ Cas are made with the observations obtained at Yonsei University from 1982 to 1989. Light losses in U are shown at the phase around 0.55 and 0.90 which might be produced by the stream of mass transfer. Four times of minimum light derived from our observations. With the collected minima including ours, new light elements are determined. Phtometric solution with B and V light curves is made by using Wilson-Devinney codes.

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