• Title/Summary/Keyword: 구조 오차

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Two Crystal Structures of the Vacuum-Dehydrated Fully $Ag^+$-Exchanged Zeolite X ($Ag^+$ 이온으로 완전히 치환되고 탈수된 두개의 제올라이트 X의 결정구조)

  • Jang, Se Bok;Park, Sang Yun;Song, Seong Hwan;Jeong, Mi Suk;Kim, Yang
    • Journal of the Korean Chemical Society
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    • v.40 no.7
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    • pp.474-482
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    • 1996
  • Two crystal structures of the vacuum dehydrated $Ag^+$-exchanged zeolite X have been determined by single-crystal X-ray diffraction techniques in the cubic space group Fd3 at 21(1)$^{\circ}C$ (a=24.922(1)${\AA}$ and a=24.901(1)${\AA}$, respectively). Each crystal was ion exchanged in flowing streams of aqueous $AgNO_3$ for three days. The first crystal was dehydrated at 300$^{\circ}C$ and $2{\times}10^{-6$torr for two days. The second crystal was similarly dehydrated at 350$^{\circ}C$. Their structures were refined to the final error indices, $R_1=0.095\;and\;R_2=0.092$ with 227 reflections, and $R_1=0.096\;and\;R_2=0.087$ with 334 reflections, respectively, for which I > 3${\sigma}$(I). In the first crystal, Ag species are found at five different crystallographic sites: sixteen $Ag^+$ ions fill the site I, the center of the double 6-ring, thirty-two Ag0 atoms fill the I' site in the sodalite cavities opposite double six-rings, seventeen $Ag^+$ ions lie at the 32-fold site II' inside the sodalite cavity at the single six-oxygen ring in the supercage, fifteen Ag+ ions lie at the 32-fold site II, in the supercage, and the remaining twelve $Ag^+$ ions lie at site III' in the supercage at a little off two-fold axes. In the second crystal, all Ag species are located similarly as crystal 1; 16 at site I, 28 at site I', 16 at site II, 16 at site II', 6 at site III and 6 at site III'. Total 88 silver species were found per unit cell. The remaining four Ag atoms were migrated out of the zeolite framework to form small silver crystallites on the surface of the zeolite single crystal. In the first structure, the numbers of Ag atoms per unit cell are approximately 32.0 and these may form tetrahedral $Ag_4$ clusters at the centers of the sodalite cavities. The probable four-atom cluster is stabilized by coordination to two $Ag^+$ ions. The Ag-Ag distance in the cluster, ca. 3.05 ${\AA}$, is a little longer than 2.89 ${\AA}$, Ag-Ag distance in silver metal. At least two six-ring $Ag^+$ ions on sodalite cavity (site II') must necessarily approach this cluster and this cluster may be viewed as a distorted octahedral silver cluster, (Ag6)2+.

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Response of Structural, Biochemical, and Physiological Vegetation Indices Measured from Field-Spectrometer and Multi-Spectral Camera Under Crop Stress Caused by Herbicide (마늘의 제초제 약해에 대한 구조적, 생화학적, 생리적 계열 식생지수 반응: 지상분광계 및 다중분광카메라를 활용하여)

  • Ryu, Jae-Hyun;Moon, Hyun-Dong;Cho, Jaeil;Lee, Kyung-do;Ahn, Ho-yong;So, Kyu-ho;Na, Sang-il
    • Korean Journal of Remote Sensing
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    • v.37 no.6_1
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    • pp.1559-1572
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    • 2021
  • The response of vegetation under the crop stress condition was evaluated using structural, biochemical, and physiological vegetation indices based on unmanned aerial vehicle (UAV) images and field-spectrometer data. A high concentration of herbicide was sprayed at the different growth stages of garlic to process crop stress, the above ground dry matter of garlic at experimental area (EA) decreased about 46.2~84.5% compared to that at control area. The structural vegetation indices clearly responded to these crop damages. Spectral reflectance at near-infrared wavelength consistently decreased at EA. Most biochemical vegetation indices reflected the crop stress conditions, but the meaning of physiological vegetation indices is not clear due to the effect of vinyl mulching. The difference of the decreasing ratio of vegetation indices after the herbicide spray was 2.3% averagely in the case of structural vegetation indices and 1.3~4.1% in the case of normalization-based vegetation indices. These results meant that appropriate vegetation indices should be utilized depending on the types of crop stress and the cultivation environment and the normalization-based vegetation indices measured from the different spatial scale has the minimized difference.

Crystal Structures of $Cd_6-A$ Dehydrated at $750^{\circ}C$ and Dehydrated $Cd_6-A$ Reacted with Cs Vapor ($750^{\circ}C$ 에서 탈수한 $Cd_6-A$의 결정구조와 이 결정을 세슘 증기로 반응시킨 결정구조)

  • Se Bok Jang;Yang Kim
    • Journal of the Korean Chemical Society
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    • v.37 no.2
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    • pp.191-198
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    • 1993
  • The crystal structures of $Cd_{6-}A$ evacuated at $2{\times}10^{-6}$ torr and $750^{\circ}C$ (a = 12.204(1) $\AA$) and dehydrated $Cd_{6-}A$ reacted with 0.1 torr of Cs vapor at $250^{\circ}C$ for 12 hours (a = 12.279(1) $\AA$) have been determined by single crystal X-ray diffraction techniques in the cubic space group Pm3m at $21(1)^{\circ}C.$ Their structures were refined to final error indices, $R_1=$ 0.081 and $R_2=$ 0.091 with 151 reflections and $R_1=$ 0.095 and $R_2=$ 0.089 with 82 reflections, respectively, for which I > $3\sigma(I).$ In vacuum dehydrated $Cd_{6-}A$, six $Cd^{2+}$ ions occupy threefold-axis positions near 6-ring, recessed 0.460(3) $\AA$ into the sodalite cavity from the (111) plane at O(3) : Cd-O(3) = 2.18(2) $\AA$ and O(3)-Cd-O(3) = $115.7(4)^{\circ}.$ Upon treating it with 0.1 torr of Cs vapor at $250^{\circ}C$, all 6 $Cd^{2+}$ ions in dehydrated $Cd_{6-}A$ are reduced by Cs vapor and Cs species are found at 4 crystallographic sites : 3.0 $Cs^+$ ions lie at the centers of the 8-rings at sites of $D_{4h}$ symmetry; ca. 9.0 Cs+ ions lie on the threefold axes of unit cell, ca. 7 in the large cavity and ca. 2 in the sodalite cavity; ca. 0.5 $Cs^+$ ion is found near a 4-ring. In this structure, ca. 12.5 Cs species are found per unit cell, more than the twelve $Cs^+$ ions needed to balance the anionic charge of zeolite framework, indicating that sorption of Cs0 has occurred. The occupancies observed are simply explained by two unit cell arrangements, $Cs_{12}-A$ and $Cs_{13}-A$. About 50% of unit cells may have two $Cs^+$ ions in sodalite unit near opposite 6-rings, six in the large cavity near 6-ring and one in the large cavity near a 4-ring. The remaining 50% of unit cells may have two Cs species in the sodalite unit which are closely associated with two out of 8 $Cs^+$ ions in the large cavity to form linear $(Cs_4)^{3+}$ clusters. These clusters lie on threefold axes and extend through the centers of sodalite units. In all unit cells, three $Cs^+$ ions fill equipoints of symmetry $D_{4h}$ at the centers of 8-rings.

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Two Anhydrous Zeolite X Crystal Structures, $Ca_{18}Tl_{56}Si_{100}Al_{92}O_{384}\;and\;Ca_{32}Tl_{28}Si_{100}Al_{92}O_{384}$ (제올라이트 X의 두 개의 무수물 $Ca_{18}Tl_{56}Si_{100}Al_{92}O_{384}$$Ca_{32}Tl_{28}Si_{100}Al_{92}O_{384}$의 결정구조)

  • Choi, Eun Young;Kim, Yang
    • Journal of the Korean Chemical Society
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    • v.43 no.4
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    • pp.384-385
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    • 1999
  • Two anhydrous crystal structures of fully dehydrated, $Ca^{2+}$- and $Tl^+$-exchanged zeolite X, TEX>$Ca_{18}Tl_{56}Si_{100}Al_{92}O_{384}($Ca_{18}Tl_{56}$-X;\alpha=24.883(4)\AA)$ and TEX>$Ca_{32}Tl_{28}Si_{100}Al_{92}O_{384}($Ca_{32}Tl_{28}$-X;\alpha=24.973(4)\AA)$ per unit cell, have been determined by single-crystal X-ray diffraction techniques in the cubic space group Fd3 at $21(1)^{\circ}C.$ $Ca_{18}Tl_{56}-X$ was prepared by ion exchange in a flowing stream of 0.045 M aqueous $Ca(NO_3)_2$ and 0.005 M $TlNO_3$. $Ca_{32}Tl_{28}-X$ was prepared similarly using a mixed solution of 0.0495 M $Ca(NO_3)_2$ and 0.0005M $TlNO_3$. Each crystal was then dehydrated at 360 $^{\circ}C$ and $2{\times}10^{-6}$ Torr for 2 days. Their structures were refined to the final error indices, $R_1=0.039\;and\;R_2=0.036$ with 382 reflections for $Ca_{18}Tl_{56}-X$ , and $R_1=0.046\;and\;R_2=0.045$ with 472 reflections for $Ca_{32}Tl_{28}$-X for which $/>3\sigma(I).$ In the structures of dehydrated $Ca_{18}Tl_{56^-}X\;and\;Ca_{32}Tl_{28}$-X, $Ca^{2+}\;and\;Tl^+$ ions are located at six crystallographic sites. Sixteen $Ca^{2+}$ ions fill the octahedral sites I at the centers of double six rings ($Ca_{18}Tl_{56}$-X:Ca-O=2.42(1) and O-Ca-O=93.06(4)$^{\circ}$; $Ca_{32}Tl_{28}$-X Ca-O=2.40(1) $\AA$ and O-Ca-O=93.08(3)$^{\circ}$). In the structure of $Ca_{18}Tl_{56}$-X, another two $Ca^{2+}$ ions occupy site II (Ca-O=2.35(2) $\AA$ and O-Ca-O=111.69(2)$^{\circ}$) and twenty six $Tl^+$ ions occupy site II opposite single six-rings in the supercage; each is 1.493 $\AA$ from the plane of three oxygens $(Tl-O=2.70(8)\AA$ and O-Tl-O=92.33(4)$^{\circ}$). About four $Tl^+$ ions are found at site II',1.695 $\AA$ into sodalite cavity from their three oxygen plane (Tl-O=2.81 (1) and O-Tl-O=87.48(3)). The remaining twenty six $Tl^+$ ions are distributed over site III'(Tl-O=2.82 (1) $\AA$ and Tl-O=2.88(3)$^{\circ}$). In the structure of $Ca_{32}Tl_{28}$-X, sixteen $Ca^{2+}$ ions and fifteen $Tl^+$ ions occupy site III' (Ca-O=2.26(1) $\AA$ and O-Ca-O=119.14(4)$^{\circ}$; Tl-O=2.70(1) $\AA$ and O-Tl-O=92.38$^{\circ}$) and one $Tl^+$ ion occupies site II'. The remaining twelve $Tl^+$ ions are distributed over site III'. It appears that $Ca^{2+}$ ions prefer sites I and II in that order and $Tl^+$ ions occupy the remaining sites.

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Crystal Structures of Full Dehydrated $Ca_{35}Cs_{22}Si_{100}Al_{92}O_{384}$and $Ca_{29}Cs_{34}Si_{100}Al_{92}O_{384}$ ($Ca^{2+}$ 이온과 $Cs^+$ 이온으로 치환되고 탈수된 두개의 제올라이트 X $Ca_{35}Cs_{22}Si_{100}Al_{92}O_{384}$$Ca_{29}Cs_{34}Si_{100}Al_{92}O_{384}$의 결정구조)

  • Jang, Se Bok;Song, Seung Hwan;Kim, Yang
    • Journal of the Korean Chemical Society
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    • v.40 no.6
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    • pp.427-435
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    • 1996
  • The structures of fully dehydrated $Ca^{2+}$- and $Cs^+$-exchanged zeolite X, $Ca_{35}Cs_{22}Si_{100}Al_{92}O_{384}$($Ca_{35}Cs_{22}$-X; a=25.071(1) $\AA)$ and $Ca_{29}Cs_{34}Si_{100}Al_{92}O_{384}$($Ca_{29}Cs_{34}$-X; a=24.949(1) $\AA)$, have been determined by single-crystal X-ray diffraction methods in the cubic space group Fd3 at $21(1)^{\circ}C.$ Their structures were refined to the final error indices $R_1$=0.051 and $R_2$=0.044 with 322 reflections for $Ca_{35}Cs_{22}$-X, and $R_1$=0.058 and $R_2$=0.055 with 260 reflections for $Ca_{29}Cs_{34}$-X; $I>3\sigma(I).$ In both structures, $Ca^{2+}$ and $Cs^+$ ions are located at five different crystallographic sites. In dehydrated $Ca_{35}Cs_{22}$-X, sixteen $Ca^{2+}$ ions fill site I, at the centers of the double 6-rings(Ca-O=2.41(1) $\AA$ and $O-Ca-O=93.4(3)^{\circ}).$ Another nineteen $Ca^{2+}$ ions occupy site II (Ca-O=2.29(1) $\AA$, O-Ca-O=118.7(4)') and ten $Cs^+$ ions occupy site II opposite single six-rings in the supercage; each is $1.95\AA$ from the plane of three oxygens (Cs-O=2.99(1) and $O-Cs-O=82.3(3)^{\circ}).$ About three $Cs^+$ ions are found at site II', 2.27 $\AA$ into sodalite cavity from their three-oxygen plane (Cs-O=3.23(1) $\AA$ and $O-Cs-O=75.2(3)^{\circ}).$ The remaining nine $Cs^+$ ions are statistically distributed over site Ⅲ, a 48-fold equipoint in the supercages on twofold axes (Cs-O=3.25(1) $\AA$ and Cs-O=3.49(1) $\AA).$ In dehydrated $Ca_{29}Cs_{34}$-X, sixteen $Ca^{2+}$ ions fill site I(Ca-O=2.38(1) $\AA$ and $O-Ca-O=94.1(4)^{\circ})$ and thirteen $Ca^{2+}$ ions occupy site II (Ca-O=2.32(2) $\AA$, $O-Ca-O=119.7(6)^{\circ}).$ Another twelve $Cs^+$ ions occupy site II; each is $1.93\AA$ from the plane of three oxygens (Cs-O=3.02(1) and $O-Cs-O=83.1(4)^{\circ})$ and seven $Cs^+$ ions occupy site II'; each is $2.22\AA$ into sodalite cavity from their three-oxygen plane (Cs-O=3.21(2) and $O-Cs-O=77.2(4)^{\circ}).$ The remaining sixteen $Cs^+$ ions are found at III site in the supercage (Cs-O=3.11(1) $\AA$ and Cs-O=3.46(2) $\AA).$ It appears that $Ca^{2+}$ ions prefer sites I and II in that order, and that $Cs^+$ ions occupy the remaining sites, except that they are too large to be stable at site I.

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Structural Study of Selenium Sorption Complex of Fully Dehydrated, Partially Ca2+-exchanged Zeolite A (완전히 탈수되고 부분적으로 칼슘 이온으로 교환된 제올라이트 A의 셀레늄 수착 화합물의 구조 연구)

  • Kim, Hu Sik;Park, Jong Sam;Lim, Woo Taik
    • Korean Journal of Mineralogy and Petrology
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    • v.33 no.3
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    • pp.251-258
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    • 2020
  • Single crystal of fully dehydrated and partially Ca2+-exchanged zeolites A (|Ca4Na4|[Si12Al12O48]-LTA) was brought into contact with Se in fine pyrex capillary at 523 K for 5 days. Crystal structure of Se-sorbed |Ca4Na4|[Si12Al12O48]-LTA has been determined by single-crystal X-ray diffraction techniques at 294 K in the cubic space group $Pm{\bar{3}}m$ (a = 12.2787(13) Å). The crystal structure of yellow |Ca4Na4Se4|[Si12Al12O48]-LTA has been refined to the final error indices of R1/wR2 = 0.0960/0.3483 with 327 reflections for which Fo > 4s(Fo). In this structure, 4 Na+ and 4 Ca2+ ions fill every 6-ring site: These ions are all found at three crystallographic positions, on 3-fold axes equipoints of opposite 6-rings. Selenium atoms are found at three crystallographically distinct positions: 2 Se atoms per unit cell at Se(1) are located opposite 6-rings in the sodalite cavity (Se(1)-Na(1) = 2.53(5) Å) and 1 at Se(2) opposite 4-rings (Se(2)-O(1) = 2.76(10) Å) and 1 at Se(3) opposite 6-rings in the large cavity (Se(3)-Na(1) = 2.48(5) Å). Two molecular of Se2 (Se(1)-Se(1) = 2.37(7) or 2.90(8) Å and Se(2)-Se(3) = 2.91(5) ) Å) are found in all sodalite cavity and large cavity. Other clusters such as Se4 and Se8 could be existed in large cavity. The inter-selenium distances turned out to be longer that of gases Se2 molecule.

Inferring the Transit Trip Destination Zone of Smart Card User Using Trip Chain Structure (통행사슬 구조를 이용한 교통카드 이용자의 대중교통 통행종점 추정)

  • SHIN, Kangwon
    • Journal of Korean Society of Transportation
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    • v.34 no.5
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    • pp.437-448
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    • 2016
  • Some previous researches suggested a transit trip destination inference method by constructing trip chains with incomplete(missing destination) smart card dataset obtained on the entry fare control systems. To explore the feasibility of the transit trip destination inference method, the transit trip chains are constructed from the pre-paid smart card tagging data collected in Busan on October 2014 weekdays by tracing the card IDs, tagging times(boarding, alighting, transfer), and the trip linking distances between two consecutive transit trips in a daily sequences. Assuming that most trips in the transit trip chains are linked successively, the individual transit trip destination zones are inferred as the consecutive linking trip's origin zones. Applying the model to the complete trips with observed OD reveals that about 82% of the inferred trip destinations are the same as those of the observed trip destinations and the inference error defined as the difference in distance between the inferred and observed alighting stops is minimized when the trip linking distance is less than or equal to 0.5km. When applying the model to the incomplete trips with missing destinations, the overall destination missing rate decreases from 71.40% to 21.74% and approximately 77% of the destination missing trips are the single transit trips for which the destinations can not be inferable. In addition, the model remarkably reduces the destination missing rate of the multiple incomplete transit trips from 69.56% to 6.27%. Spearman's rank correlation and Chi-squared goodness-of-fit tests showed that the ranks for transit trips of each zone are not significantly affected by the inferred trips, but the transit trip distributions only using small complete trips are significantly different from those using complete and inferred trips. Therefore, it is concluded that the model should be applicable to derive a realistic transit trip patterns in cities with the incomplete smart card data.

Prediction of Seabed Topography Change Due to Construction of Offshore Wind Power Structures in the West-Southern Sea of Korea (서남해에서 해상풍력구조물의 건설에 의한 해저지형의 변화예측)

  • Jeong, Seung Myung;Kwon, Kyung Hwan;Lee, Jong Sup;Park, Il Heum
    • Journal of Korean Society of Coastal and Ocean Engineers
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    • v.31 no.6
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    • pp.423-433
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    • 2019
  • In order to predict the seabed topography change due to the construction of offshore wind power structures in the west-southern sea of Korea, field observations for tides, tidal currents, suspended sediment concentrations and seabed sediments were carried out at the same time. These data could be used for numerical simulation. In numerical experiments, the empirical constants for the suspended sediment flux were determined by the trial and error method. When a concentration distribution factor was 0.1 and a proportional constant was 0.05 in the suspended sediment equilibrium concentration formulae, the calculated suspended sediment concentrations were reasonably similar with the observed ones. Also, it was appropriate for the open boundary conditions of the suspended sediment when the south-east boundary corner was 11.0 times, the south-west was 0.5 times, the westnorth 1.0 times, the north-west was 1.0 times and the north-east was 1.0 times, respectively, using the time series of the observed suspended sediment concentrations. In this case, the depth change was smooth and not intermittent around the open boundaries. From these calibrations, the annual water depth change before and after construction of the offshore wind power structures was shown under 1 cm. The reason was that the used numerical model for the large scale grid could not reproduce a local scour phenomenon and they showed almost no significant velocity change over ± 2 cm/s because the jacket structures with small size diameter, about 1 m, were a water-permeable. Therefore, it was natural that there was a slight change on seabed topography in the study area.

Compact Orthomode Transducer for Field Experiments of Radar Backscatter at L-band (L-밴드 대역 레이더 후방 산란 측정용 소형 직교 모드 변환기)

  • Hwang, Ji-Hwan;Kwon, Soon-Gu;Joo, Jeong-Myeong;Oh, Yi-Sok
    • The Journal of Korean Institute of Electromagnetic Engineering and Science
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    • v.22 no.7
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    • pp.711-719
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    • 2011
  • A study of miniaturization of an L-band orthomode transducer(OMT) for field experiments of radar backscatter is presented in this paper. The proposed OMT is not required the additional waveguide taper structures to connect with a standard adaptor by the newly designed junction structure which bases on a waveguide taper. Total length of the OMT for L-band is about 1.2 ${\lambda}_o$(310 mm) and it's a size of 60 % of the existing OMTs. And, to increase the matching and isolation performances of each polarization, two conducting posts are inserted. The bandwidth of 420 MHz and the isolation level of about 40 dB are measured in the operating frequency. The L-band scatterometer consisting of the manufactured OMT, a horn-antenna and network analyzer(Agilent 8753E) was used STCT and 2DTST to analysis the measurement accuracy of radar backscatter. The full-polarimetric RCSs of test-target, 55 cm trihedral corner reflector, measured by the calibrated scatterometer have errors of -0.2 dB and 0.25 dB for vv-/hh-polarization, respectively. The effective isolation level is about 35.8 dB in the operating frequency. Then, the horn-antenna used to measure has the length of 300 mm, the aperture size of $450{\times}450\;mm^2$, and HPBWs of $29.5^{\circ}$ and $36.5^{\circ}$ on the principle E-/H-planes.

A Study on the Volatility of Global Stock Markets using Markov Regime Switching model (마코브국면전환모형을 이용한 글로벌 주식시장의 변동성에 대한 연구)

  • Lee, Kyung-Hee;Kim, Kyung-Soo
    • Management & Information Systems Review
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    • v.34 no.3
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    • pp.17-39
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    • 2015
  • This study examined the structural changes and volatility in the global stock markets using a Markov Regime Switching ARCH model developed by the Hamilton and Susmel (1994). Firstly, the US, Italy and Ireland showed that variance in the high volatility regime was more than five times that in the low volatility, while Korea, Russia, India, and Greece exhibited that variance in the high volatility regime was increased more than eight times that in the low. On average, a jump from regime 1 to regime 2 implied roughly three times increased in risk, while the risk during regime 3 was up to almost thirteen times than during regime 1 over the study period. And Korea, the US, India, Italy showed ARCH(1) and ARCH(2) effects, leverage and asymmetric effects. Secondly, 278 days were estimated in the persistence of low volatility regime, indicating that the mean transition probability between volatilities exhibited the highest long-term persistence in Korea. Thirdly, the coefficients appeared to be unstable structural changes and volatility for the stock markets in Chow tests during the Asian, Global and European financial crisis. In addition, 1-Step prediction error tests showed that stock markets were unstable during the Asian crisis of 1997-1998 except for Russia, and the Global crisis of 2007-2008 except for Korea and the European crisis of 2010-2011 except for Korea, the US, Russia and India. N-Step tests exhibited that most of stock markets were unstable during the Asian and Global crisis. There was little change in the Asian crisis in CUSUM tests, while stock markets were stable until the late 2000s except for some countries. Also there were stable and unstable stock markets mixed across countries in CUSUMSQ test during the crises. Fourthly, I confirmed a close relevance of the volatility between Korea and other countries in the stock markets through the likelihood ratio tests. Accordingly, I have identified the episode or events that generated the high volatility in the stock markets for the financial crisis, and for all seven stock markets the significant switch between the volatility regimes implied a considerable change in the market risk. It appeared that the high stock market volatility was related with business recession at the beginning in 1990s. By closely examining the history of political and economical events in the global countries, I found that the results of Lamoureux and Lastrapes (1990) were consistent with those of this paper, indicating there were the structural changes and volatility during the crises and specificly every high volatility regime in SWARCH-L(3,2) student t-model was accompanied by some important policy changes or financial crises in countries or other critical events in the international economy. The sophisticated nonlinear models are needed to further analysis.

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