• Bulletin of the Korean Chemical Society
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• v.34 no.1
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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.

• Journal of the Korean Magnetics Society
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• v.22 no.4
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• pp.121-124
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• 2012

We have studied electronic and magnetic structure of cubane-type Mn4 cluster using OpenMX method based on density functional method. The calculated density of states shows that the octahedron of O atoms split $e_g$ and $t_{2g}$ energy levels like bulk MnO with cubic structure. Total energy with antiferromagnetic spin configuration is lower than those of other spin configurations because of super exchange interaction. Calculated exchange interaction J between Mn atoms with anti-parallel spin is larger than between Mn atoms with parallel spin.

• Journal of Magnetics
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• v.5 no.2
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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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• v.5 no.3_4
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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.

• Journal of the Korean Society for Aviation and Aeronautics
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• v.19 no.4
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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.

• Journal of Information Technology Services
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• v.11 no.sup
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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.

• Journal of the Korean Vacuum Society
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• v.6 no.S1
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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%.

• Journal of Life Science
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• v.8 no.6
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• pp.681-686
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• 1998

IASL(iodo acetamide) and MSL(maleimide) disordered the orderly helix arrangement of myosin in the rest state of spin level. Especially the effect of IASL was great. Equatorial reflection(10,11) change inferred that myosin head was moved to the vicinity of actin filament by spin level. The intensity change of 143 $\AA$ and 72 $\AA$ could offer infor-mation of the mass projection of population of myosin heads along the filament axis. The slope of intensity profile of the mass projection of 143 $\AA$ and reflection of IASL is appeared and that of MSL is appeared sharply. The dec-rease of 215 $\AA$ reflection intensity the periodical characteristic of 143 $\AA$ reflection by spin label. The raise of MSL actin reflection at 51 $\AA$ and 59 $\AA$ in the actin reflection change refers that the shifted myosin head binds a certain actin or changes an actin structure by spin label effect. Because iodo acetamide has a tendency to decease the actin reflection, actin dose not bind myosin head. From this result, we could conclude that LASL and MSL are spin labeled on SH of myosin head and disordered the helix arrangement of actin.

• Journal of Magnetics
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• v.18 no.4
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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.

• Journal of the Korean Magnetics Society
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• v.27 no.4
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• pp.140-144
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• 2017

We have studied electronic and magnetic structure of cubane-type Co magnetic molecule using density functional method. The calculated density of states show $Co^{+2}$ ionic state and high-spin state because of large exchange interaction between inside Co 3d electrons. The exchange interaction J between Co atoms depends Co-O-Co angle. The calculated J is ferromagnetic with right angles. On the other hand J is antiferromagnetic with large angles since super-exchange interactions between $Co^{+2}$ atoms. It induces that Co cubane has a antiferromagnetic spin structure of AFM1 = [${\uparrow}{\uparrow}{\downarrow}{\downarrow}$]