• Title/Summary/Keyword: FE calculation

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Aqueous U(VI) removal by green rust and vivianite at phosphate-rich environment

  • Sihn, Youngho;Yoon, In-Ho
    • Membrane and Water Treatment
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    • v.11 no.3
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    • pp.207-215
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    • 2020
  • Vivianite (Fe32+(PO4)2·8H2O) and green rust ([Fe42+Fe23+(OH)-12][SO42-·2H2O]2-), ferrous containing minerals, could remove aqueous U(VI) in 5 min. and the efficiencies of green rust were roughly 2 times higher than that of vivianite. The zeta potential measurement results implies that the better performance of green rust might be attributed to the favorable surface charge toward uranyl phosphate species. The removal behaviors of the minerals were well fitted by pseudo-second order kinetic model (R2 > 0.990) indicating the dominant removal process was chemical adsorption. Effects of Ca2+ and CO32- at pH 7 were examined in terms of removal kinetic and capacity. The kinetic constants of aqueous U(VI) were 8 and 13 times lower (0.492 × 10-3 g/(mg·min); 0.305 × 10-3 g/(mg·min)) compared to the value in the absence of the ions. The thermodynamic equilibrium calculation showed that the stable uranyl species (uranyl tri-carbonate) were newly formed at the condition. Surface investigation on the reacted mineral with uranyl phosphates species were carried out by XPS. Ferrous iron and U(VI) on the green rust surface were completely oxidized and reduced into Fe(III) and U(IV) after 7 d. It suggests that the ferrous minerals can retard U(VI) migration in phosphate-rich groundwater through the adsorption and subsequent reduction processes.

Finite Element Analysis of Sound Transfer Characteristics for Middle Ear (유한요소 모델을 이용한 중이의 소리전달 특성 해석)

  • Gal, Young-Min;Baek, Moo-Jin;Lee, Doo-Ho
    • Transactions of the Korean Society of Mechanical Engineers A
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    • v.35 no.12
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    • pp.1563-1571
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    • 2011
  • In this study, we developed a finite element model of the human middle ear has been developed to calculate itsfor sound transfer characteristics calculation. We usedThe geometric data forof ossicles, obtained byfrom micro-CT scanning, was used in order to develop the middle- ear FE model. A right- side temporal bone of a Korean cadaver was used for the micro-CT scanning. The developed FE model includes three ossicles, the tympanic membrane, ligaments, and muscles. We calculated theA sound transfer function from the tympanic membrane to the stapes footplate was calculated. The sound transfer function calculated vias of the FE model shows good agreement with measured responses over the 10- kHz frequency band. To measureidentify the sensitivityies of the middle- ear function due to material property variation, we studied several parameters studies have been fulfilled using the middle ear FE model. TAs a result the stiffness property of the incudostapedial joint had the greatest influence onwas the most influential to the middle- ear sound transfer function among the parameters.

Real-space TB-LMTO-recursion Electronic Structure Calculations for Ferromagnetic Fe, Co, and Ni (실공간 TB-LMTO-recursion 전자구조 방법에 의한 자성연구 : Fe, Co, Ni)

  • 박진호;조화석;윤석주;민병일
    • Journal of the Korean Magnetics Society
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    • v.5 no.5
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    • pp.846-853
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    • 1995
  • In order to study electronic structures for locally disordered systems, we have developed a first-principle self-con-sistent-spin-polarized real space band method (TB-LMTO-R), which combines the tight-binding(TB) linear-muffin-tin orbital(LMTO) band rrethod and the recursion(R) rrethod. The TB-LMTO-R rrethod has been applied to fer-romagnetic bec Fe, hcp Co, and fcc Ni. With varying cluster sizes, recursion coefficients, and the order of the TB-Hamiltonian, we have calculated the local density of states(LDOS) and magnetic moments. It is found that the calculation with 5,000 atoms cluster, 40 continued fractions, and the second-order TB-Hamiltonian yields a conver¬gent result in agreement with those from the conventional LMTO. In this way, we have demonstrated a physical transparency of the TB-LMTO-R method as a real space description.

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Effect of T6 heat treatment on the microstructure and mechanical properties of AA365 alloy fabricated by vacuum-assisted high pressure die casting (고진공 고압 다이캐스팅으로 제조된 AA365 합금의 미세조직과 기계적 특성에 미치는 T6 열처리의 영향)

  • Junhyub Jeon;Seung Bae Son;Seok-Jae Lee;Jae-Gil Jung
    • Journal of the Korean Society for Heat Treatment
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    • v.37 no.3
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    • pp.121-127
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    • 2024
  • We investigate the effect of T6 heat treatment on the microstructure and mechanical properties of AA365 (Al-10.3Si-0.37Mg-0.6Mn-0.11Fe, wt.%) alloy fabricated by vacuum-assisted high pressure die casting by means of thermodynamic calculation, X-ray diffraction, scanning and transmission electron microscopy, and tensile tests. The as-cast alloy consists of primary Al (with dendrite arm spacing of 10~15 ㎛), needle-like eutectic Si, and blocky α-AlFeMnSi phases. The solution treatment at 490 ℃ induces the spheroidization of eutectic Si and increase in the fraction of eutectic Si and α-AlFeMnSi phases. While as-cast alloy does not contain nano-sized precipitates, the T6-treated alloy contains fine β' and β' precipitates less than 20 nm that formed during aging at 190℃. T6 heat treatment improves the yield strength from 165 to 186 MPa due to the strengthening effect of β' and β' precipitates. However, the β' and β' precipitates reduce the strain hardening rate and accelerate the necking phenomenon, degrading the tensile strength (from 290 to 244 MPa) and fracture elongation (from 6.6 to 5.0%). Fractography reveals that the coarse α-AlFeMnSi and eutectic Si phases act as crack sites in both the as-cast and T6 treated alloys.

Investigation of the hydrogen production of the PACER fusion blanket integrated with Fe-Cl thermochemical water splitting cycle

  • Medine Ozkaya;Adem Acir;Senay Yalcin
    • Nuclear Engineering and Technology
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    • v.55 no.11
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    • pp.4287-4294
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    • 2023
  • In order to meet the energy demand, energy production must be done continuously. Hydrogen seems to be the best alternative for this energy production, because it is both an environmentally friendly and renewable energy source. In this study, the hydrogen fuel production of the peaceful nuclear explosives (PACER) fusion blanket as the energy source integrated with Fe-Cl thermochemical water splitting cycle have been investigated. Firstly, neutronic analyzes of the PACER fusion blanket were performed. Necessary neutronic studies were performed in the Monte Carlo calculation method. Molten salt fuel has been considered mole-fractions of heavy metal salt (ThF4, UF4 and ThF4+UF4) by 2, 6 and 12 mol. % with Flibe as the main constituent. Secondly, potential of the hydrogen fuel production as a result of the neutronic evaluations of the PACER fusion blanket integrated with Fe-Cl thermochemical cycle have been performed. In these calculations, tritium breeding (TBR), energy multiplication factor (M), thermal power ratio (1 - 𝜓), total thermal power (Phpf) and mass flow rate of hydrogen (ṁH2) have been computed. As a results, the amount of the hydrogen production (ṁH2) have been obtained in the range of 232.24x106 kg/year and 345.79 x106 kg/year for the all mole-fractions of heavy metal salts using in the blanket.

Dietary intakes of Fe, Zn, Cu, Mn, Se, Mo, and Cr of Korean adult women - Comparison between the data from analyzed and calculated - (성인 여성의 미량무기질(Fe, Zn, Cu, Mn, Se, Mo 및 Cr) 섭취량 - 분석치와 계산치의 비교 -)

  • Kim, Kyung-Hee;Lim, Hyeon-Sook
    • Korean Journal of Human Ecology
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    • v.9 no.3
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    • pp.69-79
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    • 2006
  • The previous studies on the intake of trace elements performed in Korea were only concerned about major elements like Fe, Zn or Cu. There is little data about the intake of minor elements like Mn, Se, Mo or Cr. And most of the data were obtained by calculation using Food Composition Tables or by analysis using atomic absorption spectrophotometers (AAS). The purpose of this study, therefore, was to evaluate the dietary intake of seven trace elements, Fe, Zn, Cu, Mn, Se, Mo, and Cr of Korean adult wonmen and to compare the data between analyzed using ICP-MS (or ICP-AES) and calculated by the CAN-Pro (or Food Composition Table). A total of nineteen adult women participated voluntarily in this study and collected one-tenth of the foods that they consumed for three consecutive days. Analyzed intake of Fe of the subjects was $6.94{\pm}2.18$ (calculated, $18.87{\pm}4.50$) mg/day, that of Ze was $9.35{\pm}4.95$ (calculated, $8.35{\pm}2.87mg/day$), that of Cu was $1.18{\pm}0.26\;(1.11{\pm}0.32mg/day)$, that of Mn was $3.69{\pm}0.69\;(2.83{\pm}1.68mg/day)$, that of Se was $41.93{\pm}9.28$ (calculated, $27.58{\pm}6.97{\mu}g/day$), that of Mo was $134.0{\pm}49.1{\mu}g/day$, and that of Cr was $136.5{\pm}147.9{\mu}g/day$. The analyzed Fe intake of the subjects did not meet Estimated Average Requirement (EAR) nor Recommended Intakes (RI) for Korean women aged 20-29 years old. However, the analyzed intakes of the other six elements, Zn, Cu, Mn, Se, Mo, and Cr, seemed to meet each of the respective RIs. The analyzed Fe intake was significantly lower than the calculated one, in fact by 2.72 times, however, the analyzed intakes of the other elements, Mn and Se, were significantly higher and those of Zn and Cu were similar than each of the calculated ones. The difference of the data between analyzed and calculated intakes indicates that it is necessary to set up database on trace element contents of foods of the Food Composition Table and the CAN-Pro so as to have accuracy.

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Design of Nickel Alloys Using the Theoretical Values Calculated from the Electronic State Energies (에너지 전자상태 계산으로 도출된 이론값을 이용한 니켈 합금 설계)

  • Baek, Min-Sook;Kang, Pub-Sung;Baek, Kyeong-Cheol;Kim, Byung-Il;Yoon, Dong-Joo
    • Korean Journal of Materials Research
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    • v.25 no.11
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    • pp.642-646
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    • 2015
  • Super alloys, which can be divided into three categories, i.e. Ni-base, Co-base, and Fe-base alloys, are widely used for high temperature applications. Since superalloys contain many alloying elements and precipitates, their chemistry and processing parameters need to be carefully designed. In this study, we designed a new Ni alloy to prevent corrosion due to water vapor and gases at high temperatures. The new alloy was designed using the theoretical value of the resulting energy electronic state calculation($DV-X{\alpha}$ method). The components that were finally used were Cr, Mo, and Ti, with Ni as a base. For these alloys, elements were selected in order to compare their values with that of the average theoretical basis for an Inconel 625 alloy. Finally, two kinds of Ni alloy were designed: Ni-28Cr-4Mo-2Ti and Ni-20Cr-10Mo-1Ti.

Hydrothermal Solution-Rhyolite Reaction and Origin of Sericitite in the Yukwang Mine (유문암-열수 반응과 유광 견운모 광상의 성인)

  • Park, Maeng-Eon;Choi, In-Sik;Kim, Jin-Sup
    • Economic and Environmental Geology
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    • v.25 no.3
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    • pp.225-232
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    • 1992
  • The hydrothermal alteration is evaluated using multicomponent equilibrium calculations with the program CHILLER for the reactions between hydrothermal water and rhyolite at the temperature of $300^{\circ}C$ and pressure of 500 bars. The chemical-reaction model on the depositional processes of the sericitite confirms that the hydrothermal water-rock interaction(hydrothermal alteration) is the main mechanism of the sericitite formation. The principal change in the aqueous phase during the reaction is the pH increase. Overall trends for the major species are the increase in total molalities of K, Ca, $SiO_2$, Al, Mg, Fe, Na, and sulfide in solid phase with hydrothermal water-rhyolite reaction and the decrease of them in aqeous solution by precipitation of hydrothermal products. Quartz and sericite are the first minerals to form. The sequence of minerals to precipitate following them is chlorite, epidote, pyrite and microcline as water/rock ratio decreases. Although calculated results cannot duplicate the complexities of natural hydrothermal alteration, the calculation provides thermodynamic constraints on the natural process. The calculation results resemble those of experimental studies. Sericitite forms where pH decreases and water/rock ratio increases.

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Effects of iron atom, substrate on two-dimensional C2N crystals

  • Noh, Min Jong;Kim, Yong Hoon
    • Proceeding of EDISON Challenge
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    • 2016.03a
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    • pp.288-291
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    • 2016
  • Recently, there has been a lot of researches related to two-dimensional (2D) materials due to their new properties and applications emerging upon 2D confinement. A new type of graphene like two-dimensional layer material, nitrogenated holey two-dimensional structure C2N-h2D, that is possession of evenly distributed holes and nitrogen atoms with proper bandgap has been synthesized. Previous calculation studies already have shown that the variance of the orbital interaction, band structure of few-layer C2N-h2D suggests that interlayer coupling does play an important role in its electronic properties. In this point, using first-principles density functional theory calculation, we here explore the effect of porous embedded iron atom and iron substrate on encapsulated few layer C2N-h2D. We show the atomic structures and the corresponding electronic structures of Fe@C2N to elucidate the effect of iron. Finally, this study demonstrates that embedded iron C2N has AA-stacking as most favorable stacked structure in contrast to pure C2N. In addition, iron substrate modifies its encapsulated C2N from semi-metallic states to metallic state.

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Reduction of Cogging Torque of BLDC Motor by Sinusoidal Air-Gap Flux Density Distribution (BLDC 전동기의 정현적 공극 자속밀도 구현에 의한 코깅 토크 저감)

  • Kim, Samuel;Jeong, Seung-Ho;Rhyu, Se-Hyun;Kwon, Byung-Il
    • The Transactions of The Korean Institute of Electrical Engineers
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    • v.56 no.1
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    • pp.57-65
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    • 2007
  • Along with the development of power electronics and magnetic materials, permanent magnet (PM) brushless direct current (BLDC) motors are now widely used in many fields of modern industry BLDC motors have many advantages such as high efficiency, large peak torque, easy control of speed, and reliable working characteristics. However, Compared with the other electric motors without a PM, BLDC motors with a PM have inherent cogging torque. It is often a principle source of vibration, noise and difficulty of control in BLDC motors. Cogging torque which is produced by the interaction of the rotor magnetic flux and angular variation in the stator magnetic reluctance can be reduced by sinusoidal air-gap flux density waveform due to reduction of variation of magnetic reluctance. Therefore, this paper will present a design method of magnetizing system for reduction of cogging torque and low manufacturing cost of BLDC motor with isotropic bonded neodynium-iron-boron (Nd-Fe-B) magnets in ring type by sinusoidal air-gap flux density distribution. An analytical technique of magnetization makes use of two-dimensional finite element method (2-D FEM) and Preisach model that expresses the hysteresis phenomenon of magnetic materials in order for accurate calculation. In addition, For optimum design of magnetizing fixture, Factorial design which is one of the design of experiments (DOE) is used.