• Bulletin of the Korean Chemical Society
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• 제34권1호
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• pp.179-187
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• 2013

We describe newly developed software named KPACK for relativistic electronic structure computation of molecules containing heavy elements that enables the two-component ab initio calculations in Kramers restricted and unrestricted formalisms in the framework of the relativistic effective core potential (RECP). The spin-orbit coupling as relativistic effect enters into the calculation at the Hartree-Fock (HF) stage and hence, is treated in a variational manner to generate two-component molecular spinors as one-electron wavefunctions for use in the correlated methods. As correlated methods, KPACK currently provides the two-component second-order M${\o}$ller-Plesset perturbation theory (MP2), configuration interaction (CI) and complete-active-space self-consistent field (CASSCF) methods. Test calculations were performed for the ground states of group-14 elements, for which the spin-orbit coupling greatly influences the determination of term symbols. A categorization of three procedures is suggested for the two-component methods on the basis of spin-orbit coupling manifested in the HF level.

• 한국자기학회지
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• 제22권4호
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• pp.121-124
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• 2012

Cubane-type $Mn_4$ 클러스터의 전기구조 및 자기적 성질을 제1원리의 범밀도함수법을 이용하여 계산하였다. 그 결과, 전자구조는 벌크 MnO와 비슷한 Mn 주위의 팔면체 산소 원자에 의해 $t_{2g}$, $e_g$ 에너지 준위로 분리되어 있었다. 총에너지계산에서는 초교환작용으로 인해 반강자성적 상호작용이 가장 낮은 에너지를 가지고 있었고, Mn 원자 사이의 교환 상호작용 크기를 얻었다. Mn 사이의 교환 상호작용은 스핀이 평행인 원자사이보다 반평행인 원자사이에서 더 큰 값을 가지고 있었다.

• Journal of Magnetics
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• 제5권2호
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• pp.44-49
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• 2000

Computer simulation of sensing current effects on the magnetic and magnetoresistance properties of a crossed spin-valve head is carried out. The spin-valve head has the following layer structure: Ta (8.0 nm)/NiMn (25 nm)/NiFe (2.5 nm)/Cu (3.0 nm)/NiFe (5.5 nm)/Ta (3.0 nm), and it is 1500 nm long and 600 nm wide. Even with a high pinning field of 300 Oe and a high hard-biased field of 50 Oe, the ideal crossed spin-valve structure, which is essential to the symmetry of the output signal and hence high density recording, is not realized mainly due to large interlayer magnetostatic interactions. This problem is solved by applying a suitable magnitude of sensing currents along the length direction generating magnetic fields in the width direction. The ideal spin-valve head is expected to show good symmetry of the output signal. This has not been shown explicitly in the present simulation, however, The reason for this is possibly related to the simple assumption used in this calculation that each magnetic layer consists of a single domain.

• Journal of Applied and Pure Mathematics
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• 제5권3_4호
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• pp.187-196
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• 2023

This study is about spin half add operations in 𝓑₂ and 𝓑₃. The burden of technological structures has increased due to the increase in the use of today's technological applications or the processes in the digital systems used. This has increased the importance of fast transactions and storage areas. For this, less transactions, more gain and storage space are foreseen. We have handle tit (triple digit) system instead of bit (binary digit). 729 is reached in 3⁶ in 𝓑₃ while 256 is reached with 2⁸ in 𝓑₂. The volume and number of transactions are shortened in 𝓑₃. The limited storage space at the maximum level is storaged. The logic connectors and the complement of an element in 𝓑₂ and the course of the connectors and the complements of the elements in 𝓑₃ are examined. "Carry" calculations in calculating addition and "borrow" in calculating difference are given in 𝓑₃. The logic structure 𝓑₂ is seen to embedded in the logic structure 𝓑₃. This situation enriches the logic structure. Some theorems and lemmas and properties in logic structure 𝓑₂ are extended to logic structure 𝓑₃.

• 한국항공운항학회지
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• 제19권4호
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• pp.51-57
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• 2011

The spin-up and the spring-back are most severe load cases in the aircraft landing gear design. These load cases are caused by reciprocal action of complex physical phenomenon such as the friction between a tire and ground, inertia of the rotation of a tire and the flexibility of a landing gear structure. Generally, the empirical formula or the theoretical formula is used to calculate the spin-up and spring-back load in the early stage of the development program of the aircraft landing gear. After the materialization of the design of a landing gear, spin-up and spring-back load are acquired by the free drop test. In this study, the spin-up and the spring-back load of the rubber shock absorber type KC-100 nose landing gear are calculated by the explicit finite element analysis. Through this analysis, more accurate and realistic spin-up and spring back loads could be applied to the early phase of the development of the aircraft landing gear.

• 한국IT서비스학회지
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• 제11권sup호
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• pp.51-60
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• 2012

In this paper, we provide the analysis of device model and method between device models for compatible M&S V&V of the NetSPIN. First of all, we analysis features, structure, and classification of the NetSPIN. The second, as a part of reliable V&V process, we analysis network system modeling process, correlation between device modeling process for M&S of the NetSPIN. The third, we suggest making a kind of pool of reference model and module of devices for the increase factor of reuse between device model. We also, at the point view of M&S V&V, conclude that there is the validity of the fidelity in device modeling process. Through the analysis of the NetSPIN device model and suggestion of the method for higher compatibility between device modes, the development process of device model be clearly understood. Also we present the effective method of the development for reliable device mode as the point of V&V.

• 한국진공학회지
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• 제6권S1호
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• pp.53-58
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• 1997

It is well known that the equiatomic FeAl alloy crystallizes in a paramagnetic CsCl structure and is very stable in a wide temperature range owing to a significant charge transfer from Al to Fe. A presence of structural defects normally enhances the magnetic and magneto-optical properties of this alloy. In this study spin-resolved photoemission and magnetic circular dichroism (MCD) were carried out on both ordered and disordered $Fe_{0.52}Al_{0.48}$ alloy films. The disordered state in the alloy films was obtained by a vapor quenching deposition on cooled substrates. It is shown that the order-disorder transition in the Fe0.52Al0.48 alloy films leads to a significant change in the spin polarization. Form the MCD results the orbital and spin magnetic moments of the constituent atoms are obtained. According to the sum rule the spin and orbital magnetic moments of Fe in the disordered FeAl film are $\mu\frac{SR}{spin}=0.8\mu_B$ and $\mu\frac{SR}{orb}=0.14\mu_B$ respectively. The spin magnetic moment is also evaluated to be $\mu\frac{BR}{spin}=0.77\mu_B$ by the branching ration method employing a photon polarization of 90%.

• 생명과학회지
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• 제8권6호
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• pp.681-686
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• 1998

이상의 결과로부터 spin lavel의 영향은 IASL, MSL은 이완상태 myosin head의 규칙적인 나선 배열은 흐트러진다. 특히 IASL은 효과가 크다. 적도반사의 변화로부터 myosin head는 spin label하는 것에 의해 actin filament 근방에 이동해 있다는 것을 알 수 있었다. 215 $\AA$ 반사의 감소는 spin lavel에 의한 myosin의 143 $\AA$주기성을 더욱 강하게 해 준다. 143 $\AA$, 72 $\AA$의 거동은 filament축으로부터 투영한 구조를 반영하기 때문에 IASL에는 143 $\AA$ 주기의 밀도분포가 완만하게 되어 있다는 것을 나타내고, MSL에는 143 $\AA$ 분포가 올라와 있다는 것을 나타낸다. actin 반사변화에서 MSL의 actin반사의 증가는 이동한 myosin head가 어떤 actin과 결합하였거나, spin lavel의 영향으로 actin의 구조가 변화되었다. 한편, IASL은 actin반사를 감소 시키기 때문에 myosin head의 결합을 하지 않았다. 결론적으로, 이것은 actin의 SH기에도 spin label되어 actin의 나선 구조가 크게 흐트러짐을 알 수 있었다

• Journal of Magnetics
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• 제18권4호
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• pp.380-385
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• 2013

We find a metastable vortex state of the perpendicular magnetic anisotropy free layer in spin transfer torque magnetic tunneling junctions by using micromagnetic simulations. The metastable vortex state does not exist in a single layer, and it is only found in the trilayer structure with the perpendicular magnetic anisotropy polarizer layer. It is revealed that the physical origin is the non-uniform stray field from the polarizer layer.

• 한국자기학회지
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• 제27권4호
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• pp.140-144
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• 2017

Co 원자 4개를 포함한 cubane 구조의 분자자성체의 전자구조 및 자기적 성질을 제1원리의 범밀도함수법을 이용하여 계산하였다. 계산된 결과, Co 원자는 +2가를 가지며, 강한 내부 원자의 교환상호작용으로 high-spin 상태를 보여주었다. 스핀배열에 따른 총 에너지 계산에서 수직을 이루는 Co 원자 사이는 강자성, 더 큰 각도를 이루는 Co 원자 사이는 반강자성 교환상호작용이 일어남을 보여주었다. 이러한 원인은 $Co^{+2}(3d^7)$ 원자 사이의 초교환상호작용으로 설명할 수 있었었고, Co 분자자성체는 AFM1 = [${\uparrow}{\uparrow}{\downarrow}{\downarrow}$] 스핀구조를 가지고 있었다.