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티타늄 산화물과 유화물의 전지 전압을 결정하는 요소에 대한 제일원리계산
김희진(H. J. Kim),문원진(W. J. Moon),김영민(Y. M. Kim),배경서(K. S. Bae),윤재식(J. S. Yoon),이영미(Y. M. Lee),국진선(J. S. Gook),김양수(Y. S. Kim) 한국표면공학회 2009 한국표면공학회지 Vol.42 No.1
Electronic structures and chemical bonding of Li-intercalated LiTiS2 and LiTiO₂ were investigated by using discrete variational Xα method as a first-principles molecular-orbital method. α-NaFeO₂ structure is the equilibrium structure for LiCoO₂, which is widely used as a commercial cathode material for lithium secondary battery. The study especially focused on the charge state of Li ions and the magnitude of covalency around Li ions. The average voltage of lithium intercalation was calculated using pseudopotential method and the average intercalation voltage of LiTiO₂ was higher than that of LiTiS2. It can be explained by the differences in Mulliken charge of lithium and the bond overlap population between the intercalated Li ions and anions in LiTiO₂ as well as LiTiS₂. The Mulliken charge, which means the ionicity of Li atom, was approximately 0.12 in LiTiS₂ and the bond overlap population (BOP) indicating the covalency between Ti and S was about 0.339. One the other hands, the Mulliken charge of lithium was about 0.79, which means that Li is fully ionized. The BOP, the covalency between Ti and O, was 0.181 in LiTiO₂. Because of high ionicity of Li and the weak covalency between Ti and the nearest anion, LiTiO₂ has a higher intercalation voltage than that of LiTiS₂.
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ADI의 조직특성에 미치는 2단 오스테나이트화 처리조건의 영향
최석림,윤기혁,문원진,강창룡,김한군 ( S . L . Choi,K . H . Yun,W . J . Moon,C . Y . Kang,H . G . Kim ) 한국열처리공학회 1998 熱處理工學會誌 Vol.11 No.1
The variation of the mechanical properties, microstructures and the formation of retained austenite with heat treatment conditions in austempered ductile cast iron has been investigated. In the case of austempered ductile cast iron below 25㎜ diameter, it has been found that a pearlite structure are not obtained under a super cooled condition at range of 0.05℃/sec∼10℃/sec, and the matrix is precipitated in graphite, bainite and retained austenite. After austempering treatment the retained austenite is increased with decreasing cooling rate. The elongation increases with decreasing super cooling rate, and the optimum result has been shown to be the elongation of 15.6% at super cooling rate of 0.05℃/sec. The optimum result has been shown to be the tensile strength-elongation balance of 1656kgf/㎟.% and it is more than doubled to as the casting state and continuous cooling condition.
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문원진,김효정,김익수,강창용,이종남,박성부 한국열처리공학회 1998 熱處理工學會誌 Vol.11 No.4
The study was investigated on the effect of austenitiaing and austempering conditions on retained austenite amount and carbon contents in retained austenite and simultaneously the effect of these variation on hardness, tensile and impact properties. A material of as-cast condition is composed of bull's eye structure with ferrite surrounding spheroidized graphite having about 5-10㎛ size and matrix structure of pearlite. Then, the contents of spheroidized graphite was about 5%. The retained austenite and carbon contents in the retained austenite were increased with the increasing of austenitizing and austempering temperatures, while the retained austenite showed the peak value and is decreased with increasing of austempering time. With increasing of austenitizing temperature, tensile strength, elongation and impact absorb energy increased and hardness was almost not changed, while with increasing of austempering temperature, tensile strength and hardness decreased, whereas elongation and impact absorb energy was increased. With increasing of retained austenite amount, the tensile strength is slowly decreased but elongation was increased with direct proportion. Also, Impact absorb energy is shown identity value untile about 18%, but rapidly increased above it. Elongation and Impact absorb energy are strongly controlled by the amount of retained austenite, but tensile strength is affected with various factors such as retained austenite amount and bainitic morphology.
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Cu 함유 TRIP 형 고장력 강판의 잔류오스테나이트 및 인장특성에 관한 연구
강창룡,성장현,김한군,문원진,김효정 한국열처리공학회 1999 熱處理工學會誌 Vol.12 No.3
Volume fraction and morphology of retained austenite, tensile peoperties of TRIP type high strength steel sheet with Fe-C-Si-Mn-Cu chemical composition have been investigated. The retained austenite of granular, bar and film type existing in specimen was obtained after intercritical annealing and austempering. The granular type retained austenite increased with increase of intercritical annealing and austempering temperature. With increase of intercritical annealing temperature, retained austenite and carbon contents increased. Maximum contents of retained austenite was obtained by austempering at 400℃. The maximum tensile strength was obtained by austempering at 450℃ and maximum elongation was obtained at 400℃. T.S×E.L value increased with increase of retained austenite contents due to the elongation strongly controlled by contents of retained austenite, but tensile strength was affected with various factors such as bainitic structure etc.
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