• Title/Summary/Keyword: Formation free energy

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Measurement of Formation Free Energy of $Y_2Cu_2O_5$ by EMF Method (EMF 방법에 의한 $Y_2Cu_2O_5$의 생성자유에너지 측정)

  • 김수권
    • Journal of the Korean Ceramic Society
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    • v.32 no.9
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    • pp.1040-1046
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    • 1995
  • The formation free energy of Y2Cu2O5 was measured by the partial ion exchanged (Cu2+, Na+)-$\beta$/$\beta$"-Al2O3 as solid state electrolyte. The formation cell was built as follows: Pt(O2)/Y2Cu2O5+Y2O3//(Cu2+, Na+)-$\beta$/$\beta$"-Al2O3//CuO/(O2)Pt The virtual formation formation formula, and the calculated formation free energy of Y2Cu2O5 as a function of temperature are as follows: 2CuO+Y2O3=Y2Cu2O5 ΔfG0/kJ.mol-1=13.19-16.25*10-3T/K.5*10-3T/K.

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Chip Forming Characteristics of Bi-S Free Machining Steel (Bi-S 쾌삭강의 칩생성특성)

  • 조삼규
    • Journal of the Korean Society of Manufacturing Technology Engineers
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    • v.9 no.3
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    • pp.48-54
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    • 2000
  • In this study the characteristics of chip formation of the cold drawn Bi-S free machining steels were assessed. And for comparison those of the cold drawn Pb-S free machining steel the hot rolled low carbon steel which has MnS as free machining inclusions and the conventional steels were also investigated. During chip formation the cold drawn free machining steels show relatively little change in thickness and width of chip compare to those of the conventional carbon steels. And a single parameter which indicates the degree of deformation during chip formation chip cross-section area ratio is introduced. The chip cross-section area ratio is defined as chip cross-section area is divided by undeformed chip cross-section area. The variational patters of the chip cross-section area ratio of the materials cut are similar to those of the shear strain values. The shear stress however seems to be dependent on the carbon content of the materials. The cold drawn Bi-S and Pb-S steels show nearly the same chip forming behaviors and the energy consumed during chip formation is almost same. A low carbon steel without free machining aids shows poor chip breakability due to its high ductility. By introducing a small amount of free machining inclusions such as MnS Bi, Pb or merely increasing carbon content the chip breakability improves significantly.

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Chip Forming Characteristics of Bi-S Free Machining Steel (Bi-S 쾌삭강의 칩생성특성)

  • 이영문
    • Proceedings of the Korean Society of Machine Tool Engineers Conference
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    • 1999.10a
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    • pp.351-356
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    • 1999
  • In this study, the characteristics of chip formation of the cold drawn Bi-S free machining steels were assessed. And for comparison, those of the cold drawn Pb-S free machining steel, the hot rolled low carbon steel which has MnS as free machining inclusions and the conventional steels were also investigated. During chip formation, the cold drawn free machining steels show relatively little change in thickness and width of chip compare to those of the conventional carbon steels. And a single parameter which indicates the degree of deformation during chip formation, 'chip cross-section area ratio' is introduced. The chip cross-section area. The variational patterns of cross-section area is divided by undeformed chip cross-section area. The variational patterns of the chip cross-section area ratio of the materials cut are similar to those of the shear strain values. The shear stress, however, seems to be dependent on the carbon content of the materials. The cold drawn BiS and Pb-S steels show nearly the same chip forming behaviors and the energy consumed during chip formation is almost same. A low carbon steel without free machining aids shows poor chip breakability due to its high ductility. By introducing a small amount of non-metallic inclusions such as MnS, Bi, Pb or merely increasing carbon content the chip breakability improves significantly.

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Computational Study on Oligomer Formation of Fibril-forming Peptide of α-Synuclein

  • Park, Seong-Byeong;Yoon, Je-Seong;Jang, Soon-Min;Lee, Kyung-Hee;Shin, Seok-Min
    • Bulletin of the Korean Chemical Society
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    • v.33 no.3
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    • pp.848-854
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    • 2012
  • We have studied the oligomerization of a fibril-forming segment of ${\alpha}$-Synulcein using a replica exchange molecular dynamics (REMD) simulation. The simulation was performed with trimers and tetramers of a 12 amino acid residue stretch (residues 71-82) of ${\alpha}$-Synulcein. From extensive REMD simulations, we observed the spontaneous formation of both trimer and tetramer, demonstrating the self-aggregating and fibril-forming properties of the peptides. Secondary structure profile and clustering analysis illustrated that antiparallel ${\beta}$-sheet structures are major species corresponding to the global free energy minimum. As the size of the oligomer increases from a dimer to a tetramer, conformational stability is increased. We examined the evolution of simple order parameters and their free energy profiles to identify the process of aggregation. It was found that the degree of aggregation increased as time passed. Tetramer formation was slower than trimer formation and a transition in order parameters was observed, indicating the full development of tetramer conformation which is more stable than that of the trimer. The shape of free energy surface and change of order parameter distributions indicate that the oligomer formation follows a dock-and-lock process.

Free Energy of Formation of BaThO3 from E.M.F. Measurement

  • Park, S. H.;H. D. Baek;J. S. Hwang;Park, C. O.
    • The Korean Journal of Ceramics
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    • v.4 no.3
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    • pp.204-206
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    • 1998
  • The Gibbs free energy of formation of $BaThO_3$ from elemental oxides has been measured at temperatures between 853 and 903 K using a $CaF_2$ solid electrolyte galvanic cell. The galvanic cell consisted of Pt, $O_2, CaO+CaF_2 \parallel CaF_2 \parallelBaThO_3+ThO_2+BaF_2, O_2$, Pt EMF gave the standard Gibbs free energy for the reaction $CaF_2+BaThO_3=CaO+BaF_2+ThO_3$ as $\DeltaG^o$,/TEX>=124111.031-117.597 T(J/mol).

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The Gas Liquid Partition Coefficients of Eleven Normal, Branched and Cyclic Alkanes in Sixty Nine Common Organic Liquids II: The Effect of Solvent Structure

  • Cheong, Won-Jo
    • Bulletin of the Korean Chemical Society
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    • v.24 no.8
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    • pp.1207-1210
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    • 2003
  • The effect of solvent structure on the slope in the plot of ln K vs. solute carbon number was examined. It was found that the free energy of methylene group transfer from the gas phase into a solvent was always negative and that the absolute magnitude of interaction free energy between the methylene group and the solvent was always larger than the absolute magnitude of cavity formation free energy of the methylene group in the solvent. Thus, the slope in the plot of ln K vs. solute carbon number was always positive and its value decreases with increase of solvent polarity since the cavity formation energy of the CH₂ unit increases with increase of solvent polarity while the dispersive interaction energy of the CH₂ unit is virtually invariant. We also examined the effect of sequential addition of CH₂ unit to a solvent molecule upon ln K for three homologous series of solvents: n-alkanes, n-alcohols, and n-nitriles. Characteristic trends in the plots of ln K vs. solvent carbon number were observed for individual solvent groups. A decrease of ln K with solvent carbon number was observed for n-alkanes. An abrupt increase in ln K followed by levelling off was observed for n-alcohols while a final slight decrease in ln K after an abrupt increase followed by rapid levelling off was noted for n-nitriles. All of theses phenomena were found related to variation in cavity formation energy. It was clearly shown that a structural change of a polar solvent by sequential addition of CH₂ units causes an abrupt polarity decrease initially, then gradual levelling off, and finally, conversion to a virtually nonpolar solvent if enough CH₂ units are added.

Reinvestigation on the silicide formation process (실리사이드 형성 과정에 대한 재 조명)

  • Nam, Hyoung-Gin
    • Journal of the Semiconductor & Display Technology
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    • v.7 no.2
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    • pp.1-5
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    • 2008
  • Silicide formation process and the formation sequence were investigated in this study. It was postulated that the formation of the second silicide phase involves glass formation between the first silicide phase and Si given that a thin metal film is deposited on a Si substrate. The concentration of glass was assumed to be located where the free energy of the liquid alloy with respect to the first nucleated compound and solid Si (${\Delta}$G') is most negative. It was also mentioned that the glass concentration is close to the composition of the second phase in order to achieve the maximum energy degradation. It was shown that the minimum ${\Delta}$G' concentration can be estimated by interpolating the portion of the liquidus where the liquid alloy is in equilibrium with the two solid constituents, namely the first compound phase and Si, thereby forming a hypothetical eutectic.

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SYNTHESIS OF METASTABLE ALLOYS BY ION MIXING IN THE BINARY METAL SYSTEMS AND THEORETICAL MODELLING

  • Liu, B.X.;Zhang, Z.J.;Jin, O.;Pan, F.
    • Journal of the Korean Vacuum Society
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    • v.4 no.S2
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    • pp.148-155
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    • 1995
  • (1) The metastable crystalline(MX) phases formed by ion mixing are classified into 5 types, i.e. the super-saturated solid solutions and the enlarged HCP-I phases reported earlier, and the newly observed FCC-I phases in hcp-based alloys, The FCC-ll and HCP-ll phases in bcc-based alloys. The growth kinetics of the MX phases is discussed. (2) The interfacial free energy in the multilayered films was found to play an important role in ion beam mixing(IM) induced amorphization. By adding sufficient interfaces, amorphous alloys were obtained even in the systems with rather positive heat of formation. (3) Gibbs free energy diagrams of some representative systems were constructed, by calculating the free energy curves of all the competing phases. Steady-state thermal annealing was conducted and the results confirmed the relevance of the constructed diagrams, which were inturn employed to interpret the MX phase formation as well as the glass forming ability upon IM in the binary metal systems.

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Proposal of the Stress Wave Concept and Its Applied Study as a Theory for the Dislocation Formation (전위생성에 대한 이론으로서의 응력파 개념에 대한 제안 및 적용 연구)

  • 서정현
    • Transactions of Materials Processing
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    • v.10 no.6
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    • pp.449-456
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    • 2001
  • The concept of stress wave was introduced through the quantized kinetic energy which is related to the potentional energy change of atom, molecular bond energy. Differentiated molecular bond energy $\varphi$() by the lst order displacement u becomes force F(F = d$\varphi$($u_i$)/du), if resversely stated, causing physically atomic displacement $u_i$. Such physical phenomena lead stress(force/area of applied force) can be expressed by wave equation of linearly quantized physical property. Through the stress wave concept, formation of dislocation, which could not explained easily from a theory of continuum mechanics, can be explained. Moreover, this linearly quantized stress wave equation with a stress concept for grains in a crystalline solid was applied to three typical metallic microstructures and a simple shape. The result appears to be a product from well treated equations of a quantized stress wave. From this result, it can be expected to answer the reason why the defect free and very fine diameters of long crystalline shapes exhibit ideal tensile strength of materials.

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Defect Formation in Epitaxially Grown Silver Films (배향 성장시킨 은박막중의 결함생성)

  • Lee Ki-Seon;Kim Key-Soo
    • Applied Microscopy
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    • v.6 no.1
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    • pp.33-38
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    • 1976
  • Formation of crystal defects which may occur during and after the vacuum deposition of silver films on rocksalt substrates were studied by electron microscopy. To obtain defect free films, various evaporation conditions, such as evaporation rate, substrate temperature, substrate treatments and annealing of films were examined. Stacking faults and micro-twins are dominant defects in silver films.

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