• Title/Summary/Keyword: transition temperature

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Dynamics of a Globular Protein and Its Hydration Water Studied by Neutron Scattering and MD Simulations

  • Kim, Chan-Soo;Chu, Xiang-Qiang;Lagi, Marco;Chen, Sow-Hsin;Lee, Kwang-Ryeol
    • Proceedings of the Korean Vacuum Society Conference
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    • 2011.02a
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    • pp.21-21
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    • 2011
  • A series of Quasi-Elastic Neutron Scattering (QENS) experiments helps us to understand the single-particle (hydrogen atom) dynamics of a globular protein and its hydration water and strong coupling between them. We also performed Molecular Dynamics (MD) simulations on a realistic model of the hydrated hen-egg Lysozyme powder having two proteins in the periodic box. We found the existence of a Fragile-to-Strong dynamic Crossover (FSC) phenomenon in hydration water around a protein occurring at TL=$225{\pm}5K$ by analyzing Intermediate Scattering Function (ISF). On lowering of the temperature toward FSC, the structure of hydration water makes a transition from predominantly the High Density Liquid (HDL) form, a more fluid state, to predominantly the Low Density Liquid (LDL) form, a less fluid state, derived from the existence of a liquid?liquid critical point at an elevated pressure. We showed experimentally and confirmed theoretically that this sudden switch in the mobility of the hydration water around a protein triggers the dynamic transition (so-called glass transition) of the protein, at a temperature TD=220 K. Mean Square Displacement (MSD) is the important factor to show that the FSC is the key to the strong coupling between a protein and its hydration water by suggesting TL${\fallingdotseq}$TD. MD simulations with TIP4P force field for water were performed to understand hydration level dependency of the FSC temperature. We added water molecules to increase hydration level of the protein hydration water, from 0.30, 0.45, 0.60 and 1.00 (1.00 is the bulk water). These confirm the existence of the FSC and the hydration level dependence of the FSC temperature: FSC temperature is decreased upon increasing hydration level. We compared the hydration water around Lysozyme, B-DNA and RNA. Similarity among those suggests that the FSC and this coupling be universal for globular proteins, biopolymers.

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Electrical Properties of semiconducting $VO_2$-based Critical Temperature Sensors (반도성 $VO_2$계 급변온도센서의 전기적 특성)

  • 유광수;김종만;정형진
    • Journal of the Korean Ceramic Society
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    • v.30 no.10
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    • pp.866-870
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    • 1993
  • For VO2-based sensors applicable to temperature measurements and optical disk materials by the nature of semiconductor to metal transition, the crystallinity and temperature vs. resistance characteristics were investigated as a function of the heat treatment temperature. The bead-type sensors were prepared through typical sensor fabrication processing and heat-treated at 40$0^{\circ}C$, 50$0^{\circ}C$, and $600^{\circ}C$, respectively, for 30 minutes in H2 gas atmosphere. As results of the temperature vs. resistance measurements, the electrical resistance in the phase transition range was decreased by 102 order for the VO2 sensor and by 103 order for the V71P11Sra18 system. It was estimated that the hysteresis, temperature vs. resistance, and current vs. voltage characteristics of the V71P11Sr18 system could be utilized for commericialization as a temperature sensor.

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Improvement of Moldability for Ultra Thin-Wall Molding with Micro-Patterns (마이크로 패턴을 가진 초박육 사출성형의 성형성 개선)

  • Yun, Jae-Ho;Park, Keun;Kwon, Oh-Kyung
    • Transactions of the Korean Society of Mechanical Engineers A
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    • v.31 no.5
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    • pp.556-561
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    • 2007
  • The rapid thermal response(RTR) molding is a novel process developed to raise the temperature of mold surface rapidly in the injection stage and then cool rapidly to the ejection temperature by air or water. The objectives of this paper are to investigate the effect of mold temperature, pressure and thickness of micro pattern molding and to provide a optimization of RTR injection molding for micro pattern from Moldflow simulation. Optimal minimum temperature and pressure was found without shortcut according to thickness. Filling percentage was influenced by glass transition temperature with the kinds of resin. Optimal temperature is slightly higher than glass transition temperature irrespectively of pressure, thickness, the kinds of resin in the micro pattern molding.

Effect of PbTiO3 Concentration on the Properties of $Pb(Mg_{1/3}Nb_{2/3})O_3-PbTiO_3$ Relaxor Ferroelectrics -II. Phase Transition and Electric-field-induced Strains- ($Pb(Mg_{1/3}Nb_{2/3})O_3-PbTiO_3$계 완화형 강유전체의 특성에 미치는 PbTiO3 첨가량의 영향 -II. 상전이 및 전계인가 변위특성-)

  • 박재환;김인태;김동영;조서용;흥국선;박순자
    • Journal of the Korean Ceramic Society
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    • v.33 no.5
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    • pp.556-562
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    • 1996
  • In order to understand the electrostrictive behavior of Pb(Mg1/3Nb2/3)O3-PbTiO3 (PMN-PT) solid solutions the dielectric constants the electric-field-induced strains and the pyroelectric coefficients of (1-x)PMN-xPT (x=0.1-0.4) were investigated in the temperature range -50~20$0^{\circ}C$. For x=0.1~0.35 where the phase transi-tion is diffusive the strain has a maxima at the temperature of maximum pyroelectric coefficient (depolrizing temperature) rather than the temperature of maximum dielectric constant. For x=0.4 where the phase transition is relatively sharp the strain decreases monotonically as the temperature increases. Relationships among the above experimental results are discussed.

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Effect of Interstitial Elements on Ductile-Brittle Transition Behavior of Austenitic Fe-18Cr-10Mn-2Ni Alloys (오스테나이트계 Fe-18Cr-10Mn-2Ni 합금의 연성-취성 천이 거동에 미치는 침입형 원소의 영향)

  • Hwang, Byoungchul
    • Korean Journal of Materials Research
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    • v.23 no.11
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    • pp.649-654
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    • 2013
  • The effect of interstitial elements on the ductile-brittle transition behavior of austenitic Fe-18Cr-10Mn-2Ni alloys with different nitrogen and carbon contents was investigated in this study. All the alloys exhibited ductile-brittle transition behavior because of unusual low-temperature brittle fracture, even though they have a faced-centered cubic structure. With the same interstitial content, the combined addition of nitrogen and carbon, compared to the sole addition of nitrogen, improved the low-temperature toughness and thus decreased the ductile-brittle transition temperature (DBTT) because this combined addition effectively enhances the metallic component of the interatomic bonds and is accompanied by good plasticity and toughness due to the increased free electron concentration. The increase in carbon content or of the carbon-to-nitrogen ratio, however, could increase the DBTT since either of these causes the occurrence of intergranular fracture that lead to the deterioration of the toughness at low temperatures. The secondary ion mass spectroscopy analysis results for the observation of carbon and nitrogen distributions confirms that the carbon and nitrogen atoms were significantly segregated to the austenite grain boundaries and then caused grain boundary embrittlement. In order to successfully develop austenitic Fe-Cr-Mn alloys for low-temperature application, therefore, more systematic study is required to determine the optimum content and ratio of carbon and nitrogen in terms of free electron concentration and grain boundary embrittlement.

Characterization of Thermo-optical Properties of Ferroelectric P(VDF-TrFE) Copolymer Using Febry-Perot Interferometer (Febry-Perot 간섭계를 이용한 강유전 P(VDF-TrFE) 폴리머 열광학 특성평가)

  • Song, Hyun-Cheol;Kim, Jin-Sang;Yoon, Seok-Jin;Jeong, Dae-Yong
    • Korean Journal of Materials Research
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    • v.19 no.4
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    • pp.228-231
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    • 2009
  • Phase transition in ferroelectric polymer is very interesting behavior and has been widely studied for real device applications, such as actuators and sensors. Through the phase transition, there is structural change resulting in the change of electrical and optical properties. In this study, we fabricated the Febry-Perot interferometer with the thin film of ferroelectric P(VDF-TrFE) 50/50 mol% copolymer, and thermo-optical properties were investigated. The effective thermo-optical coefficient of P(VDF-TrFE) was obtained as $2.3{\sim}3.8{\times}10^{-4}/K$ in the ferroelectric temperature region ($45^{\circ}C{\sim}65^{\circ}C$) and $6.0{\times}10^{-4}/K$ in the phase transition temperature region ($65^{\circ}C{\sim}85^{\circ}C$), which is a larger than optical silica-fiber and PMMA. The resonance transmission peak of P(VDF-TrFE) with the variation of temperature showed hysteretic variation and the phase transition temperature of the polymer in heating condition was higher than in the cooling condition. The elimination of the hysteretic phase transition of P(VDF-TrFE) is necessary for practical applications of optical devices.

Simulation of SI-HCCI Transition in a Two-Stroke Free Piston Engine Fuelled with Hydrogen (수소 2행정 프리피스톤엔진의 SI-HCCI 변화에 관한 수치해석적 연구)

  • Hung, Nguyen Ba;Park, Kyuel;Lim, Ocktaeck
    • Journal of Hydrogen and New Energy
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    • v.24 no.6
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    • pp.472-479
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    • 2013
  • A free piston linear engine could be operated under HCCI combustion due to its variable compression ratios. To obtain HCCI combustion, the free piston linear engine needs a high compression ratio to achieve auto-ignition of the fuel/air mixture. In this study, an idea for obtaining a high compression ratio using the transition from SI combustion to HCCI combustion was proposed. The fuel used in this study is hydrogen, which is considered to be an environmentally friendly fuel. Besides, the effects of key parameters such as equivalence ratio (${\phi}$), load resistance ($R_L$) and intake temperature ($T_{in}$) on the SI-HCCI transition were numerically investigated. The simulation results show that the SI-HCCI transition is successful without any significant reduction of in-cylinder pressure as the intake temperature is increased from $T_{in}$=300K (SI mode) to $T_{in}$=450K (HCCI mode), while the load resistance and equivalence ratio are retained respectively at $R_L=120{\Omega}$ and ${\phi}$=0.6 in both SI mode and HCCI mode.

Effects of Titanium, Hafnium and Zircornium Alloying Elements on Microstructures and $D0_3{\leftrightarrow}B2$ Transition Temperature of Fe-30Al-5Cr Alloys (Fe-30Al-5Cr 합금의 미세조직 및 $D0_3{\leftrightarrow}B2$ 천이온도에 미치는 Ti, Hf 및 Zr의 첨가효과)

  • Kim, Sung-Su;Joo, Sung-Min;Oh, Seon-Hun;Kim, Kwan-Hyu;Choi, Dap-Chun
    • Journal of Korea Foundry Society
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    • v.21 no.1
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    • pp.15-23
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    • 2001
  • The changes in the microstructures and $D0_3{\leftrightarrow}B2$ transition temperature were investigated for Fe-30at.%AI-5at.%Cr alloy with the ordered $D0_3$, structure when Ti, Hf and Zr were added respectively. The addition of Cr has no effect on the microstructure. However, as the amount of Ti addition increased, the grain size became smaller. Addition of Ti+Hf, Ti+Zr and Ti+Hf+Zr also showed the similar effect. When 20at.% of Ti was added, the second phase precipitates on the substrate. The addition of Cr, Hf and Zr alone has no effect on $D0_3{\leftrightarrow}B2$ transition temperature. However, as the amount of Ti addition increased by 5, 10, 15 and 20at.%, the transition temperatures showed 929, 930, 960 and $930^{\circ}C$ respectively.

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A study on the structural and electric properties of fluorinated $YBa_2Cu_3O_{7-y}$ (불소화된 $YBa_2Cu_3O_{7-y}$ 초전도체의 구조적, 전기적 성질에 관한 연구)

  • 김재욱;김채옥
    • Electrical & Electronic Materials
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    • v.9 no.4
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    • pp.404-409
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    • 1996
  • The structural and electric properties of $Y_{1-x}$YbF$_{x}$Ba$_{2}$Cu$_{3}$O$_{7-y}$(x=0.0, 0.1, 0.2, 0.3, 0.4, 0.5 and 0.6) have been investigated by using XRD(X-ray diffraction), TMA(thennomechanical analysis), NMR(nuclear magnetic resonance) analysis and four probe method. $Y_{1-x}$YbF$_{x}$Ba$_{2}$Cu$_{3}$O$_{7-y}$ samples were prepared by conventional solid-state reaction method using $Y_{2}$O$_{3}$, BaCO$_{3}$, CuO and YbF$_{3}$ power. TMA and high temperature XRD results shows that orthorhombic to tetragonal phase transition occurs in the unfluorinated 1-2-3 sample while the phase change is not observed in the fluorinated 1-2-3 samples. Superconducting transition temperature(T$_{c}$) increases with increasing YbF$_{3}$ content ; T$_{c}$, of the sample reaching maximum of 102K for x=0.3, and then decreases with further increasing YbF$_{3}$ content. The structural analysis and T$_{c}$ results shows that the fluorine doping stabilize the orthorhombic phase, together with the increase in T$_{c}$.}$ c/.TEX> c/.

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A study on the phase transition characteristics of the $Ba(La_{1/2} Nb_{1/2})O_3-Pb(Zr, Ti)O_3$ ceramics ($Ba(La_{1/2} Nb_{1/2})O_3-Pb(Zr, Ti)O_3$ 세라믹의 상전이 특성에 관한 연구)

  • 류기원;배선기;박인길;이영희
    • Electrical & Electronic Materials
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    • v.8 no.2
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    • pp.190-195
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    • 1995
  • Temperature dependences of the dielectric constant K(T), remanent polarization $P_{r}$, (T), effective birefringence overbar .DELTA.n(T), transmitted light intensity and quadratic electro optic coefficient R(T) of the two-stage sintered xBa(L $a_{1}$2/N $b_{1}$2/) $O_{3}$-(1-x)Pb(Z $r_{y}$ $Ti_{1-y}$) $O_{3}$(x=0.085, 0.09, 0.40.leq.y.leq.0.70) ceramics were investigated. Increasing the PbZr $O_{3}$ contents, the crystal structure of a specimen was changed from a tetragonal phase to a rhombohedral and cubic phase, and the phase transition was showed a diffuse phase transition(DPT) characteristics. In the compositions which located on the PE-FE phase boundary, the discrepancy was observed between the Curie temperature and temperature which a microscopic polarization and effective birefringence were disappeared.red.d.

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