• Title/Summary/Keyword: Mixed Calculations

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Structural Characterization of the Intermetallic Phase EuZnxIn4-x (x ≈ 1.1-1.2). Zn and In Site-Preferences in the BaAl4 Structure-Type from Computational Analysis

  • You, Tae-Soo;Nam, Gnu;Kim, Youngjo;Darone, Gregory M.;Bobev, Svilen
    • Bulletin of the Korean Chemical Society
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    • v.34 no.6
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    • pp.1656-1662
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    • 2013
  • The ternary phase $EuZn_xIn_{4-x}$ has been identified as the main product of reactions of Eu, Zn, and In by using the In-flux method and characterized by both powder and single-crystal X-ray diffraction. The structure belongs to the common $BaAl_4$-type (tetragonal space group I4/mmm, Pearson code tI10) with lattice parameters of a = 4.5610(9) ${\AA}$, c = 12.049(3) ${\AA}$ for composition $EuZn_{1.10(12)}In_{2.90}$ and a = 4.5463(3) ${\AA}$, c = 12.028(2) ${\AA}$ for composition $EuZn_{1.18(2)}In_{2.82}$, respectively. In this structure, the Eu atoms are situated at the center of 18-vertex Fedorov polyhedra made of Zn and In atoms, where the 4d site is preferentially occupied by In and the 4e site is occupied by randomly mixed Zn and In atoms. Theoretical investigations using tight-binding linear muffintin orbital (TB-LMTO) method provide rationale for the observed site preferences and suggest potentially wider homogeneity range than the experimentally established for $EuZn_xIn_{4-x}$ ($x{\approx}1.1$).

Numerical and Experimental Study on the Increase of Removal Efficiency of SO2 in a Laboratory Scale Electrostatic Spray Drying Absorber (실험실 규모 정전기 분무형 반건식 세정기의 SO2 제거효율 향상에 대한 계산 및 실험적 연구)

  • Byun, Young-Cheol;Hwang, Jung-Ho
    • Transactions of the Korean Society of Mechanical Engineers B
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    • v.22 no.8
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    • pp.1111-1120
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    • 1998
  • Spray Drying Absorber(SDA) system, where the combustion product gas is mixed with atomized limestone-slurry droplets and then the chemical reaction of $SO_2$ with alkaline components of the liquid droplets forms sulfates, has been widely used to eliminate $SO_2$ gas from coal fired power plants and waste incinerators. Liquid atomization is necessary because it can maximize the reaction efficiency by increasing the total surface area and dispersion angle of the alkaline components. First, numerical calculations using FLUENT are carried out to investigate $SO_2$ concentration distribution and thus to calculate $SO_2$ removal efficiency. So to attain the optimized spray conditions, then an electrostatic spraying system is set up and spray visualization is performed to show the effect of an electric field on overall droplet size. Next, the effect of an electric field on the concentrations of $SO_2$ is experimentally examined. Field strength is varied from -10 kV to 10 kV and configurations of conduction charging and induction charging are utilized. Consequently, the electrostatic removal efficiency of 501 increases about 30% with the applied voltage of ${\pm}10kV$ but is independent of polarity of the applied voltage. It Is also found that the conduction charging configuration results in higher efficiency of $SO_2$ removal that the induction charging configuration. Finally, the effect of slurry temperature on $SO_2$ removal is studied. The temperature influences on the electrostatic removal efficiency of $SO_2$.

Stability and Characterization of the ATP-dependent Clp Protease from Escherichia coli (Excherichia coli 에 존재하는 ATP -의존성 Clp 효소의 안정성 및 특성)

  • ;Michael R. Maurizi
    • Korean Journal of Microbiology
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    • v.30 no.6
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    • pp.528-532
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    • 1992
  • The ATP-dependent protease. Clp P from Esehaichia coli has been increase the stahility with or without detergent as Triton X-100 and NP-40 in the Clp P. The C]p P proteolytic activity was remained to 0.1 M salt by $Na^{-1}$, $K^{+}$, $Li^{+}$ but was inhihited by $SO_4^{2}$. An active ATPase site in Clp A is required for A TP-dependent proteolysis by Clp protease as

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First-principles Calculations on Magnetism of 1H/1T Boundary in Monolayer MoS2 (제일원리계산에 의한 단층 MoS2의 1H/1T 경계 자성)

  • Jekal, Soyoung;Hong, Soon Cheol
    • Journal of the Korean Magnetics Society
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    • v.26 no.3
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    • pp.71-75
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    • 2016
  • Monolayer $MoS_2$ is energetically most stable when it has a 1H phase, but 1H to 1T phase transition ($1H{\rightarrow}1T$) is easily realized by various ways. Even though magnetic moment is not observed during $1H{\rightarrow}1T$, $0.049{\mu}_B/MoS_2$ is obtained in local 1T phase; 75% 2H and 25% 1T phases are mixed in ($2{\times}2$) supercell. Most magnetic moment is originated from the 1T phase Mo atom in the supercell, while the magnetic moments of other atoms are negligible. As a result, magnetic/non-magnetic boundary is created in the monolayered $MoS_2$. Our result suggests that $MoS_2$ can be applied for spintronics such as a spin transistor.

Prismatic-core advanced high temperature reactor and thermal energy storage coupled system - A preliminary design

  • Alameri, Saeed A.;King, Jeffrey C.;Alkaabi, Ahmed K.;Addad, Yacine
    • Nuclear Engineering and Technology
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    • v.52 no.2
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    • pp.248-257
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    • 2020
  • This study presents an initial design for a novel system consisting in a coupled nuclear reactor and a phase change material-based thermal energy storage (TES) component, which acts as a buffer and regulator of heat transfer between the primary and secondary loops. The goal of this concept is to enhance the capacity factor of nuclear power plants (NPPs) in the case of high integration of renewable energy sources into the electric grid. Hence, this system could support in elevating the economics of NPPs in current competitive markets, especially with subsidized solar and wind energy sources, and relatively low oil and gas prices. Furthermore, utilizing a prismatic-core advanced high temperature reactor (PAHTR) cooled by a molten salt with a high melting point, have the potential in increasing the system efficiency due to its high operating temperature, and providing the baseline requirements for coupling other process heat applications. The present research studies the neutronics and thermal hydraulics (TH) of the PAHTR as well as TH calculations for the TES which consists of 300 blocks with a total heat storage capacity of 150 MWd. SERPENT Monte Carlo and MCNP5 codes carried out the neutronics analysis of the PAHTR which is sized to have a 5-year refueling cycle and rated power of 300 MWth. The PAHTR has 10 metric tons of heavy metal with 19.75 wt% enriched UO2 TRISO fuel, a hot clean excess reactivity and shutdown margin of $33.70 and -$115.68; respectively, negative temperature feedback coefficients, and an axial flux peaking factor of 1.68. Star-CCM + code predicted the correct convective heat transfer coefficient variations for both the reactor and the storage. TH analysis results show that the flow in the primary loop (in the reactor and TES) remains in the developing mixed convection regime while it reaches a fully developed flow in the secondary loop.

POINTWISE CROSS-SECTION-BASED ON-THE-FLY RESONANCE INTERFERENCE TREATMENT WITH INTERMEDIATE RESONANCE APPROXIMATION

  • BACHA, MEER;JOO, HAN GYU
    • Nuclear Engineering and Technology
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    • v.47 no.7
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    • pp.791-803
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    • 2015
  • The effective cross sections (XSs) in the direct whole core calculation code nTRACER are evaluated by the equivalence theory-based resonance-integral-table method using the WIMS-based library as an alternative to the subgroup method. The background XSs, as well as the Dancoff correction factors, were evaluated by the enhanced neutron-current method. A method, with pointwise microscopic XSs on a union-lethargy grid, was used for the generation of resonance-interference factors (RIFs) for mixed resonant absorbers. This method was modified by the intermediate-resonance approximation by replacing the potential XSs for the non-absorbing moderator nuclides with the background XSs and neglecting the resonance-elastic scattering. The resonance-escape probability was implemented to incorporate the energy self-shielding effect in the spectrum. The XSs were improved using the proposed method as compared to the narrow resonance infinite massbased method. The RIFs were improved by 1% in $^{235}U$, 7% in $^{239}Pu$, and >2% in $^{240}Pu$. To account for thermal feedback, a new feature was incorporated with the interpolation of pre-generated RIFs at the multigroup level and the results compared with the conventional resonance-interference model. This method provided adequate results in terms of XSs and k-eff. The results were verified first by the comparison of RIFs with the exact RIFs, and then comparing the XSs with the McCARD calculations for the homogeneous configurations, with burned fuel containing a mixture of resonant nuclides at different burnups and temperatures. The RIFs and XSs for the mixture showed good agreement, which verified the accuracy of the RIF evaluation using the proposed method. The method was then verified by comparing the XSs for the virtual environment for reactor applicationbenchmark pin-cell problem, as well as the heterogeneous pin cell containing burned fuel with McCARD. The method works well for homogeneous, as well as heterogeneous configurations.

Corrosion Inhibition Performance of Two Ketene Dithioacetal Derivatives for Stainless Steel in Hydrochloric Acid Solution

  • Lemallem, Salah Eddine;Fiala, Abdelali;Ladouani, Hayet Brahim;Allal, Hamza
    • Journal of Electrochemical Science and Technology
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    • v.13 no.2
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    • pp.237-253
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    • 2022
  • The methyl 2-(1,3-dithietan -2- ylidene)-3-oxobutanoate (MDYO) and 2-(1,3-dithietan-2-ylidene) cyclohexane -1,3-dione (DYCD) were synthesized and tested at various concentrations as corrosion inhibitors for 316L stainless steel in 1 M HCl using weight loss, electrochemical impedance spectroscopy (EIS), potentiodynamic polarization (PDP), surface analysis techniques (SEM / EDX and Raman spectroscopy) and Functional Density Theory (DFT) was also used to calculate quantum parameters. The obtained results indicated that the inhibition efficiency of MDYO and DYCD increases with their concentration, and the highest value of corrosion inhibition efficiency was determined in the range of concentrations investigated (0.01 × 10-3 - 10-3 M). Polarization curves (Tafel extrapolation) showed that both compounds act as mixed-type inhibitors in 1M HCl solutions. Electrochemical impedance spectra (Nyquist plots) are characterized by a capacitive loop observed at high frequencies, and another small inductive loop near low frequencies. The thermodynamic data of adsorption of the two compounds on the stainless steel surface and the activation energies were determined and then discussed. Analysis of experimental results shows that MDYO and DYCD inhibitors adsorb to the metal surface according to the Langmuir model and the mechanism of adsorption of both inhibitors involves physisorption. SEM-EDX results confirm the existence of an inhibitor protective film on the stainless steel surface. The results derived from theoretical calculations supported the experimental observation.

Flexural performance of composite sandwich wall panels with foamed concrete

  • Lei Li;Wei Huang;Zhengyi Kong;Li Zhang;Youde Wang;Quang-Viet Vu
    • Steel and Composite Structures
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    • v.52 no.4
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    • pp.391-403
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    • 2024
  • The flexural behavior of composite sandwich wall panels with different thicknesses, numbers of holes, and hole forms, and arrangement form of longitudinal steel bar (uniform type and concealed-beam type) are investigated. A total of twelve composite sandwich wall panels are prepared, utilizing modified polystyrene particles mixed with foam concrete for the flexural performance test. The failure pattern of the composite sandwich wall panels is influenced by the extruded polystyrene panel (XPS) panel thickness and the reinforcement ratio in combination, resulting in both flexural and shear failure modes. Increasing the XPS panel thickness causes the specimens to transition from flexural failure to shear failure. An increase in the reinforcement ratio leads to the transition from flexural failure to shear failure. The hole form on the XPS panel and the steel bar arrangement form affect the loading behavior of the specimens. Plum-arrangement hole form specimens exhibit lower steel bar strain and deflection compared to linear-arrangement hole form specimens. Additionally, specimens with concealed beam-type steel bar display lower steel bar strain and deflection than uniform-type steel bar specimens. However, the hole form and steel bar arrangement form have a limited impact on the ultimate load. Theoretical formulas for cracking load are provided for both fully composite and non-composite states. When compared to the experimental values, it is observed that the cracking load of the specimens with XPS panels closely matches the calculations for the non-composite state. An accurate prediction model for the ultimate load of fully composite wall panels is developed. These findings offer valuable insights into the behavior of composite sandwich wall panels and provide a basis for predicting their performance under various design factors and conditions.

Preliminary Analysis of the CANDU Moderator Thermal-Hydraulics using the CUPID Code (2상 유동 해석코드 CUPID를 이용한 CANDU 원자로 감속재 열수력 예비해석)

  • Park, Sang Gi;Lee, Jae Ryong;Yoon, Han Young;Kim, Hyoung Tae;Jeong, Jae Jun
    • Journal of Energy Engineering
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    • v.21 no.4
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    • pp.419-426
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    • 2012
  • A transient, three-dimensional, two-phase flow analysis code, CUPID, has been developed in KAERI. In this work, we performed a preliminary analysis using the CUPID code to investigate the thermal-hydraulic behavior of the moderator in the Calandria vessel of a CANDU reactor. At first, we validated the CUPID code using the three experiments that were performed at Stern Laboratories Inc. To avoid the complexity to generate computational mesh around the Calandria tube bundles, a porous media approach was applied for the region. The pressure drop in the porous media zone was modeled by an empirical correlation. The results of the calculations showed that the CUPID code can predict the mixed flow pattern of forced and natural convection inside the Calandria vessel very well. Thereafter, the analysis was extended to a two-phase flow condition. Also, the local maximum temperature in the Calandria vessel was plotted as a function of the injection flow rate, which may be utilized to predict the local subcooling margin.

A Study in Every Possible Correlation between Daily Food Intake and Growth Rate of Primary School Students (국민학교(國民學校) 아동(兒童)의 영양섭취실태(營養攝取實態)와 성장발육(成長發育)에 관(關)한 연구(硏究))

  • Ryu, Young-Sang;Kim, Sook-He
    • Journal of Nutrition and Health
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    • v.6 no.2
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    • pp.25-33
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    • 1973
  • With the object of the study id every possible correlation between daily food intake and growth rate of primary school students, aged eleven years old, the author distributed prepared questionnaires through 200 children of 5th grade in both sexes in K private primary school, Seoul. Specific object of this study were included following three points: such as daily food intake records for six days. daily food intake records for six days. school records of sample children at the end of 4th grade. physical growth index calculated by means of weight and height of sample children at the first part of the 5th grade. CR. t. F. test as well as percentage calculations were included for statistical analysis. The result of this study were as follows: 1. For the living circumstances a) Average numbers of brother and sister in sampled family were two to three. b) Approximately 50%of the children were brought up by mother's milk at their infants and about 35% of children were weaned at the age of 7 to 12 months. c) Thirty to forty percent of the respondents revealed irregulity in their meal time due to early school time in the morning. d) Monthly average expenditure for daily food reached 20 to 29% out of total income. e) The most favorit foods reflect as follows: The most favorit main dish is boiled rice mixed with other careals and side dish beaf. Fruits and juice are more popular snack among whole children. 2. Nutrition survey a) The calcium and thiamine were the most limited factors out of daily nutrients consumption. b) The total calory intake were composed of carbohydrate 63%, protein 16% and fat 21% respectively. c) The total food intake were composed of 20 to 24% of animal source of foods and 76 to 80% of plant source of foods (vegetables, grains, fruits) d) The total protein intake were composed of 46% of animal protein and 54% of others. e) The grain stuffs consumed in the largest quantity at the level of 50% out whole food groups. f) Twenty four percent of total food intake came from snack between meal time. 3. The result of statistical analysis were as follows: a) The correlation between the calory intake and plysical growth index revealed statistical significancy at the level of p<0.001. b) The correlation between the protein intake and physical growth index revealed statistical significancy at the level of p<0.001. c) The correlation between the meal time and physical growth index revealed statistical significancy at the level of 0.02

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