• 제목/요약/키워드: Complex Calculations

검색결과 331건 처리시간 0.027초

An Algorithm for Calculating the RMS Value of the Non-Sinusoidal Current Used in AC Resistance Spot Welding

  • Zhou, Kang;Cai, Lilong
    • Journal of Power Electronics
    • /
    • 제15권4호
    • /
    • pp.1139-1147
    • /
    • 2015
  • In this paper, an algorithm based on a model analysis of the online calculation of the root-mean-square (RMS) value of welding current for single-phase AC resistance spot welding (RSW) was developed. The current is highly nonlinear and typically non-sinusoidal, which makes the measuring and controlling actions difficult. Though some previous methods focused on this issue, they were so complex that they could not be effectively used in general cases. The electrical model of a single-phase AC RSW was analyzed, and then an algorithm for online calculation of the RMS value of the welding current was presented. The description includes two parts, a model-dependent part and a model-independent part. Using a previous work about online measurement of the power factor angle, the first part can be solved. For the second part, although the solution of the governing equation can be directly obtained, a lot of CPU time must be consumed due to the fact that it involves a lot of complex calculations. Therefore, a neural network was employed to simplify the calculations. Finally, experimental results and a corresponding analysis showed that the proposed algorithm can obtain the RMS values with a high precision while consuming less time when compared to directly solving the equations.

다단적재 복합들기 작업에 대한 NIOSH 단순들기 수식의 적용 모형 개발 (Development of an Application Model of Simple NIOSH Lifting Equation to Multi-stacking Complex Lifting Tasks)

  • 박재희
    • 한국안전학회지
    • /
    • 제24권2호
    • /
    • pp.76-82
    • /
    • 2009
  • The NIOSH lifting equation has been used as a dominant tool in evaluating the hazard levels of lifting tasks. Although it provides two different ways for each simple and complex lifting task, the NIOSH simple lifting equation is almost used for not only simple tasks but also complex tasks. However, most of lifting tasks in industries are in the form of complex lifting. Therefore some errors occur inevitably in the evaluation of complex lifting tasks. Among complex lifting tasks, a multi-stacking task is the most popular in lifting tasks. To compensate the error in the evaluation of multi-stacking tasks by using the NIOSH simple lifting equation, a set of calculations for finding LIs(Lifting Indices) was performed for the systematically varying multi-stacking tasks. Then a regression model which finds the equivalent height in simple lifting task for multi-stacking task was established. By using this model, multi-stacking tasks can be evaluated with less error. To validate this model, some real multi-stacking tasks were evaluated as examples.

Synthesis, spectral, thermal, structural study and theoretical treatment of new complexes of mannich base with Ni(II) and study of cytotoxicity effect on (Hepa-2) cell line and antimicrobial activity

  • Omar H. Al-Obaidi
    • 분석과학
    • /
    • 제36권2호
    • /
    • pp.70-79
    • /
    • 2023
  • The synthesis of the Mannich base as a ligand (L) N-(morpholino (phenyl) methyl) acetamide is the subject of this study. Elemental analyses, FT-IR spectra, UV-vis, 1H-NMR, and magnetic measurements were used to confirm the synthesis of the [Ni(L)2]Cl2 complex, thermal analysis (TG/DTG), atomic absorption, and scanning, and structurally explained as electron microscopy (SEM), and X-ray powder diffraction (XRD) methods. The melting point of the complex and its molar conductivity were also measured. The suggested geometries of the complexes formed have a tetrahedral structure, according to the data acquired using various techniques. Theoretical approaches to the complex formation have been investigated. For molecular mechanics and semi-empirical calculations, the HYPERCHEM6 program had been used. The effect of the novel Ni(II) complex on the cancer cell Hepa-2 (human hepatocellular ademocarcinoma), that is the human laryngeal cancer, was studied. It has been found that these ligand and complex have potent effects on the cancer cell. The antibacterial activity of the free ligand and its complex was evaluated against two kinds of human pathogenic bacteria. The first category is Gram-positive (Staphylococcus aureas, epiderimids), whereas the second group is Gram-negative (Psedamonas aeruginosa, Escherichia coli) (from the diffusion method). Finally, it was discovered that various chemicals had varied growth-inhibiting effects on bacteria.

Analysis of Transport Parameters in an Interacting Two-Band Model with Application to $p^{+}$-GaAs

  • Kim, B.W.;Majerfeld, A.
    • ETRI Journal
    • /
    • 제17권3호
    • /
    • pp.17-43
    • /
    • 1995
  • We present a comprehensive derivation of the transport of holes involving an interacting two-valence-band system in terms of a generalized relaxation time approach. We sole a pair of semiclassical Boltzmann equations in a general way first, and then employ the conventional relaxation time concept to simplify the results. For polar optical phonon scattering, we develop a simple method th compensate for the inherent deficiencies in the relaxation time concept and apply it to calculate effective relaxation times separately for each band. Also, formulas for scattering rates and momentum relaxation times for the two-band model are presented for all the major scattering mechanisms for p-type GaAs for simple, practical mobility calculations. Finally, in the newly proposed theoretical frame-work, first-principles calculations for the Hall mobility and Hall factor of p-type GaAs at room temperature are carried out with no adjustable parameters in order to obtain a direct comparison between the theory and recent available experimental results, which would stimulate further analysis toward better understanding of the complex transport properties of the valence band. The calculated Hall mobilities show a general agreement with our experimental data for carbon doped p-GaAs samples in a range of degenerate hole densities. The calculated Hall factors show $r_H$=1.25~1.75 over all hole densities($2{\times}10^{17}{\sim}1{\times}10^{20}cm^{-3}$ considered in the calculations.

  • PDF

RF heating experiment to verify the design process of graphite target at the RAON µSR facility

  • Jae Young Jeong;Jae Chang Kim;Kihong Pak;Yong Hyun Kim;Yong Kyun Kim;Wonjun Lee;Ju Hahn Lee;Taek Jin Jang
    • Nuclear Engineering and Technology
    • /
    • 제55권10호
    • /
    • pp.3768-3774
    • /
    • 2023
  • The purpose of the target system for the muon spin rotation, relaxation, and resonance (µSR) facility at the Rare isotope Accelerator complex for ON-line experiments (RAON) is to induce the production of a significant number of surface muons in thermally stable experiments. The manufactured target system was installed at RAON in the Sindong area near Daejeon in 2021. The design was made conservatively with a sufficient margin of safety through ANSYS calculations; however, verification experiments had to be performed on the ANSYS calculations. Because the 600-MeV proton beam has not yet been provided, an alternative way to reproduce the calculation conditions was required. The radio frequency (RF) heating method, which has not yet been applied to the target verification experiment but has several advantages, was used. It was observed that the RF heating method has promise for testing the thermal stability of the target, and whether the target system design process was performed conservatively enough was verified by comparing the RF heating experiments with the ANSYS calculations.

Calculations of Free Energy Surfaces for Small Proteins and a Protein-RNA Complex Using a Lattice Model Approach

  • Lee, Eun-Sang;Jung, Youn-Joon
    • Bulletin of the Korean Chemical Society
    • /
    • 제32권spc8호
    • /
    • pp.3051-3056
    • /
    • 2011
  • We calculate the free energy surfaces for two small proteins and a protein-RNA complex system by using a lattice model approach. In particular, we employ the Munoz-Eaton model, which is a native-structure based statistical mechanical model for studying protein folding problem. The model can provide very useful insights into the folding mechanisms by allowing one to calculate the free energy surfaces efficiently. We first calculate the free energy surfaces of ubiquitin and BBL, using both approximate and recently developed exact solutions of the model. Ubiquitin exhibits a typical two-state folding behavior, while BBL downhill folding in our study. We then extend the method to study of a protein-RNA complex. In particular, we focus on PAZ-siRNA complex. In order to elucidate the interplay between folding and binding kinetics for this system we perform comparative studies of PAZ only, PAZ-siRNA complex and two mutated complexes. We find that folding and binding are strongly coupled with each other and the bound PAZ is more stable than the unbound PAZ. Our results also suggest that the binding sites of the siRNA may serve act as a nucleus in the folding process.

Structural Analysis of the Cu-binding Site in the [Cu·dCMP·dCMP-H]1- Complex

  • Jung, Sang-Mi;Kim, Ho-Tae
    • Mass Spectrometry Letters
    • /
    • 제4권4호
    • /
    • pp.67-70
    • /
    • 2013
  • The Cu-binding site in the $[Cu{\cdot}dCMP{\cdot}dCMP-H]^{1-}$ complex was investigated. The tandem mass (MS/MS) spectra of the [$[Cu{\cdot}dCMP{\cdot}dCMP-H]^{1-}$ parent ion showed $[dCMP{\cdot}Cu{\cdot}H_2PO_4+CONH]^{1-}$ fragment ions. Therefore, we propose that the Cu cation is simultaneously coordinated to the phosphate site and cytosine moiety in the stable geometry of the $[Cu{\cdot}dCMP{\cdot}dCMP-H]^{1-}$ complex. Three geometries for the complex were considered in an attempt to optimize the structure of the $[Cu{\cdot}dCMP{\cdot}dCMP-H]^{1-}$ complex. The ab initio calculations were performed at the $B3LYP/6-311G^{**}$ level.

Fluorescence Enhancement of 7-Diethylamino-4-methylcoumarin by Noncovalent Dipolar Interactions with Cucurbiturils

  • Park, Mee Ock;Moon, Myung Gu;Kang, T.J.
    • Bulletin of the Korean Chemical Society
    • /
    • 제34권5호
    • /
    • pp.1378-1382
    • /
    • 2013
  • We have investigated the complex forming behavior of cucurbit[6]urils(CB6) and cucurbit[7]urils(CB7) with 7-diethylamino-4-methylcoumarin(C460) in water. The electronic absorption maximum of C460 shows bathochromic shift with the addition of CB7 and fluorescence intensity is greatly increased, while CB6 has no noticeable effects on the spectroscopic properties of C460. It is noted that CB7 interacts more strongly with C460 than CB6 does. Fluorescence lifetime also significantly increased for the CB7 complex, which is attributed to reduced polarity surrounding C460 and/or C460 being in a restricted environment. The stoichiometry for the complex formation determined from the fluorescence titration measurement indicates that 2:1 complex in which two CB7 molecules bind to C460 is formed. Thus, two step equilibrium processes are suggested for the complex formation and the binding constants are estimated. The semi-empirical electronic structures calculations indicate that C460 is not included in the CB7 cavity but interacts noncovalently with the portal carbonyls of CB7.

SS-epm이 배위된 trans-dichlorocobalt(III) 착물과 라세미 propane-1,2-diamine과의 입체선택적 리간드 치환반응 (Stereoselective Ligand Exchange Reaction of trans-dichlorocobalt(III) complex contained SS-epm and racemi propane-1,2-diamine)

  • 김동엽
    • 한국산업융합학회 논문집
    • /
    • 제3권1호
    • /
    • pp.77-82
    • /
    • 2000
  • The stereoselective ligand exchange reaction of trans-$[Co(SS-epm)Cl_2]^+$ and racemic propane-1,2-diamine (rac-pn) produces the complex that is identified as $[CO(N)_6]^{3+}$ type of $[Co(SS-epm)(pn)]^{3+}$ by absorption spectrum. It is conceivable that the reaction mechanism involves substitution and isomerization. The calculated and experimentally determined ratios of the complexed enantiomeric substrates at equilibrium were as follows: $[Co(SS-epm)(pn)]^{3+}$,calcd 32 % / 68 %, exptl 19 % / 81 % R-pn / S-pn. It has been shown that the employment of molecular mechanics calculations as a predictive tool may lead to the design of chiral complexes that may be applied to the separation of racemic mixtures of simple bidentate ligands.

  • PDF

DEVELOPMENT OF AN LES METHODOLOGY FOR COMPLEX GEOMETRIES

  • Merzari, Elia;Ninokata, Hisashi
    • Nuclear Engineering and Technology
    • /
    • 제41권7호
    • /
    • pp.893-906
    • /
    • 2009
  • The present work presents the development of a Large Eddy Simulation (LES) methodology viable for complex geometries and suitable for the simulation of rod-bundles. The use of LES and Direct Numerical Simulation (DNS) allows for a deeper analysis of the flow field and the use of stochastical tools in order to obtain additional insight into rod-bundle hydrodynamics. Moreover, traditional steady-state CFD simulations fail to accurately predict distributions of velocity and temperature in rod-bundles when the pitch (P) to diameter (D) ratio P/D is smaller than 1.1 for triangular lattices of cylindrical pins. This deficiency is considered to be due to the failure to predict large-scale coherent structures in the region of the gap. The main features of the code include multi-block capability and the use of the fractional step algorithm. As a Sub-Grid-Scale (SGS) model, a Dynamic Smagorinsky model has been used. The code has been tested on plane channel flow and the flow in annular ducts. The results are in excellent agreement with experiments and previous calculations.