• 제목/요약/키워드: dispersion method

검색결과 1,631건 처리시간 0.029초

Comparative studies of density functionals in modelling hydrogen bonding energetics of acrylamide dimers

  • Lin, Yi-De;Wang, Yi-Siang;Chao, Sheng D.
    • Coupled systems mechanics
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    • 제6권3호
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    • pp.369-376
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    • 2017
  • Intermolecular interaction energies and conformer geometries of the hydrogen bonded acrylamide dimers have been studied by using the second-order Møller-Plesset (MP2) perturbation theory and the density functional theory (DFT) with 17 density functionals. Dunning's correlation consistent basis sets (up to aug-cc-pVTZ) have been used to study the basis set effects. The DFT calculated interaction energies are compared to the reference energy data calculated by the MP2 method and the coupled cluster method at the complete basis set (CCSD(T)/CBS) limit in order to determine the relative performance of the studied density functionals. Overall, dispersion-energy-corrected density functionals outperform uncorrected ones. The ${\omega}B97XD$ density functional is particularly effective in terms of both accuracy and computational cost in estimating the reference energy values using small basis sets and is highly recommended for similar calculations for larger systems.

Study of viscoelastic model for harmonic waves in non-homogeneous viscoelastic filaments

  • Kakar, Rajneesh;Kaur, Kanwaljeet;Gupta, Kishan Chand
    • Interaction and multiscale mechanics
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    • 제6권1호
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    • pp.31-50
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    • 2013
  • A five parameter viscoelastic model is developed to study harmonic waves propagating in the non-homogeneous viscoelastic filaments of varying density. The constitutive relation for five parameter model is first developed and then it is applied for harmonic waves in the specimen. In this study, it is assumed that density, rigidity and viscosity of the specimen i.e., rod are space dependent. The specimen is non-homogeneous, initially unstressed and at rest. The method of non-linear partial differential equation has been used for finding the dispersion equation of harmonic waves in the rods. A simple method is presented for reflections at the free end of the finite non-homogeneous viscoelastic rods. The harmonic wave propagation in viscoelastic rod is also presented numerically with MATLAB.

Enhanced Dissolution of Coenzyme Q10 using Solid Dispersions Prepared by Low Temperature Melting Method

  • Kang, Jun-Heok;Yan, Yi-Dong;Kim, Hyun-Chan;Lee, Sung-Neung;Yong, Chul-Soon;Choi, Han-Gon
    • Journal of Pharmaceutical Investigation
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    • 제40권5호
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    • pp.277-283
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    • 2010
  • CoQ with low melting temperature was exploited to improve its solubility by preparing its solid dispersions (SDs) with a meltable polymer, poloxamer 407 (P 407). P407 can be utilized for a relatively simple, quick, inexpensive, reproducible and potentially scalable manner in the low temperature melting method. CoQ 10 solubility and dissolution increased with increasing concentrations of P 407 in SDs. Comparison of the enhanced dissolution of CoQ 10 from different poloxamers suggested that the preparation of CoQ 10 SDs using P 407 as a meltable hydrophilic polymer carrier could be a promising approach to improve its dissolution.

Scale-dependent thermal vibration analysis of FG beams having porosities based on DQM

  • Fenjan, Raad M.;Moustafa, Nader M.;Faleh, Nadhim M.
    • Advances in nano research
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    • 제8권4호
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    • pp.283-292
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    • 2020
  • In the present research, differential quadrature (DQ) method has been utilized for investigating free vibrations of porous functionally graded (FG) micro/nano beams in thermal environments. The exact location of neutral axis in FG material has been assumed where the material properties are described via porosity-dependent power-law functions. A scale factor related to couple stresses has been employed for describing size effect. The formulation of scale-dependent beam has been presented based upon a refined beam theory needless of shear correction factors. The governing equations and the associated boundary conditions have been established via Hamilton's rule and then they are solved implementing DQ method. Several graphs are provided which emphasis on the role of porosity dispersion type, porosity volume, temperature variation, scale factor and FG material index on free vibrational behavior of small scale beams.

액상환원법과 알코올환원법으로 제조한 은나노입자특성 비교에 관한 연구 (Comparison Study of the Synthesized Silver Nano-particles using Liquid Phase Reduction Method and Alcohol Reduction Process)

  • 손은종;황영구;신유식;정성훈
    • 한국염색가공학회지
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    • 제23권2호
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    • pp.146-153
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    • 2011
  • Silver nano-particles have been synthesized by liquid phase reduction method and alcohol reduction process. Silver nano-particles of the size 30 ~ 40 nm were formed successfully by alcohol reduction process. The formation, structure, morphology and size of silver nano-particles have been studied using FE-SEM, TEM, XRD, UV-visible spectroscopy. In particular high dispersion stability of the synthesized silver nano-particles could be obtained by PVP binding. Antibacterial activity of Ag/PET master batch sample made from its nano-silver particles showed excellent antibacterial activity against S. aureus and E. coli.

이산 웨이블렛 변환 기법을 이용한 변압기 열화신호의 특징추출에 관한 연구 (A Study on Feature Extraction of Transformers Aging Signal using discrete Wavelet Transform Technique)

  • 박재준;권동진;송영철;안창범
    • 대한전기학회논문지:전기물성ㆍ응용부문C
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    • 제50권3호
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    • pp.121-129
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    • 2001
  • In this paper, a new efficient feature extraction method based on Daubechies discrete wavelet transform is presented. This paper especially deals with the assessment of process statistical parameter using the features extracted from the wavelet coefficients of measured acoustic emission signals. Since the parameter assessment using all wavelet coefficients will often turn out leads to inefficient or inaccurate results, we selected that level-3 stage of multi decomposition in discrete wavelet transform. We make use of the feature extraction parameter namely, maximum value of acoustic emission signal, average value, dispersion, skewness, kurtosis, etc. The effectiveness of this new method has been verified on ability a diagnosis transformer go through feature extraction in stage of aging(the early period, the middle period, the last period)

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Wideband Lamb wave analysis based on continuous wavelet transform

  • Shi, Lihua;Wang, Xinwei;Li, Gang;Zhang, Lingyan
    • Smart Structures and Systems
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    • 제1권3호
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    • pp.257-266
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    • 2005
  • In Lamb wave detection of damages in smart structures, the excitation pulse is usually designed as a narrow band burst wave for the convenience of analysis and recognition. However, the wideband excitation can excite more modes in plate/shell structure and thus provides extra information for changes of the structure. This paper presents a method that can extract information in wideband Lamb wave signals. By transforming the detected signals into various sub-frequency band, the measured signal can be converted to its equivalences of narrow band excitations, therefore, the information in different frequency bands can be acquired from a single test and in the same time the complicity of wideband signal can be simplified. Some test results are provided to verify this method.

Fabrication of Nearly Monodispersed Silica Nanoparticles by Using Poly(1-vinyl-2-pyrrolidinone) and Their Application to the Preparation of Nanocomposites

  • Chung, You-Sun;Jeon, Mi-Young;Kim, Chang-Keun
    • Macromolecular Research
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    • 제17권1호
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    • pp.37-43
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    • 2009
  • To fabricate dental nanocomposites containing finely dispersed silica nanoparticles, nearly monodispersed silica nanoparticles smaller than 25 nm were synthesized without forming any aggregates via a modified sol-gel process. Since silica nanoparticles synthesized by the Stober method formed aggregates when the particle size is smaller than 25 nm, the synthetic method was modified by changing the reaction temperature and adding poly(1-vinyl-2-pyrrolidinone) (PVP) to the reaction mixture. The size of the formed silica nanoparticles was reduced by increasing the reaction temperature or adding PVP. Furthermore, the formation of aggregates with primary silica nanoparticles smaller than 25 nm was prevented by increasing the amount of PVP added to the reaction mixture. To enhance the dispersion of the silica particles in an organic matrix, the synthesized silica nanoparticles were treated with 3-methacryloxypropyltrimethoxysilane ($\gamma$-MPS). A dental nanocomposite containing finely dispersed silica nanoparticles could be produced by using the surface-treated silica nanoparticles.

Improved spectral line measurements of the SDSS galaxy spectra

  • Oh, Kyu-Seok;Sarzi, Marc;Yi, Suk-Young
    • 한국우주과학회:학술대회논문집(한국우주과학회보)
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    • 한국우주과학회 2009년도 한국우주과학회보 제18권2호
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    • pp.35.1-35.1
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    • 2009
  • We have established a database of galaxy spectral line strengths for the SDSS database using an improved line measuring method. Our work includes the entire SDSS DR7 galaxies within redshift of 0.2. The absorption line strengths measured by the SDSS pipeline are seriously contaminated by emission filling. Our code, GANDALF (gas and absorption line fitting code) performs more accurate measurements by effectively separating emission lines from absorption lines. A significant improvement has also been made on the velocity dispersion measurement, more notably in late-type galaxies. We have also identified a number of broad line region galaxies which were misclassified as normal galaxies by the SDSS pipeline. We developed an effective method measuring their line strengths. The database will be provided with new parameters that are indicative of the line strength measurement quality. In addition, we made galaxy templates for the Hubble sequence. The database will be useful for many fields of galaxy studies including star formation and AGN activities.

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비혼탁도 법을 이용한 나노 콜로이드 입자의 크기 결정 (Determination of Sizes of Nano-Particles by Specific Turbidimetry)

  • 임경희
    • 한국응용과학기술학회지
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    • 제25권1호
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    • pp.107-114
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    • 2008
  • In this article a reliable and rapid method based on specific turbidimetry is proposed for the determination of sizes of nanoparticles. Conventionally in specific turbidimetry specific turbidities for a colloidal dispersion are measured as a function of light wavelength, and compared to theoretical values calculated from Mie scattering theory for presumed particle sizes. In contrast specific turbidity at a fixed wavelength is measured in the proposed method, and particle sizes are determined from the prepared calibration curve. The calibration curve is a plot of specific turbidity vs particle size and in this case the specific turbidities are measured for a couple of samples of known sizes.