• Title/Summary/Keyword: potential gradient

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The Half-metallic Properties of (001) and (110) Surfaces of CsSe from the First-principles

  • Bialek, Beata;Lee, Jae Il
    • Journal of Magnetics
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    • v.21 no.1
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    • pp.1-5
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    • 2016
  • We investigated the half-metallicity and magnetism at the (001) and (110) surfaces of CsSe in cesium chloride and zinc-blende structures by using the all-electron full-potential linearized augmented plane wave method within the generalized gradient approximation. From the calculated local density of states, we found that all the surfaces preserve the half-metallicity of the bulk structures. The surfaces with a greater polarity have stronger ferromagnetic properties when terminated with Se atoms; the non-polar surfaces do not change their electronic or magnetic properties considerably as compared with the bulk structures.

Ethanol dehydration pilot test with pervaporation technology (투과증발법을 이용한 에탄올 탈수 파일럿 시험)

  • 이규현;유제강;장재화;안승호
    • Proceedings of the Membrane Society of Korea Conference
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    • 1994.10a
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    • pp.42-45
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    • 1994
  • 정밀화학, 제약산업 등에 필요한 에탄올, IPA 등과 같은 유기용매를 고순도로 농축하는 공정은 유기용매와 물과의 혼합물이 일정 농도에서 공비점을 형성하여 일반 증류로는 분리하기 힘들어 Benzene, Cycloheaxane 드의 Entrainer를 첨가하여 상대휘발도를 변화시켜 분리하는 공비증류가 이용되고 있다. 그러나 공비증류는 에너지 사용량이 많고 유독한 물질을 사용하므로 투과증발법과 같은 저에너지 소비형, 환경 친화적인 공정에 대한 관심이 높아지고 있다. 투과증발법에 의한 유기용매 농축공정은 물과의 친화성이 높은 비다공성 막을 이용하여 선택적으로 물을 투과하여 유기용매를 탈수하는 방법으로 투과를 위한 Driving force는 Feed side와 Permeate side사이의 Chemical potential gradient로 이는 물에 대한 Partial vapor pressure differnece로 다음과 같이 표시된다. $\Delta \mu_{F/P.W} = RT ln\frac{y_WP_P}{x_W\gamma_WP_{o.W}}$ 따라서 투과속도를 높이기 위해서 Permeate side를 진공상태로 하여 투과하는 물질을 기화시키고 이를 다시 응축하여 Permeate side의 압력을 낮게 유지시켜야 한다.

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η-RICCI SOLITONS ON TRANS-SASAKIAN MANIFOLDS WITH QUARTER-SYMMETRIC NON-METRIC CONNECTION

  • Bahadir, Oguzhan;Siddiqi, Mohd Danish;Akyol, Mehmet Akif
    • Honam Mathematical Journal
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    • v.42 no.3
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    • pp.601-620
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    • 2020
  • In this paper, firstly we discuss some basic axioms of trans Sasakian manifolds. Later, the trans-Sasakian manifold with quarter symmetric non-metric connection are studied and its curvature tensor and Ricci tensor are calculated. Also, we study the η-Ricci solitons on a Trans-Sasakian Manifolds with quartersymmetric non-metric connection. Indeed, we investigated that the Ricci and η-Ricci solitons with quarter-symmetric non-metric connection satisfying the conditions ${\tilde{R}}.{\tilde{S}}$ = 0. In a particular case, when the potential vector field ξ of the η-Ricci soliton is of gradient type ξ = grad(ψ), we derive, from the η-Ricci soliton equation, a Laplacian equation satisfied by ψ. Finally, we furnish an example for trans-Sasakian manifolds with quarter-symmetric non-metric connection admitting the η-Ricci solitons.

Computation of Incompressible Flows Using Higher Order Divergence-free Elements (고차의 무발산 요소를 이용한 비압축성 유동계산)

  • Kim, Jin-Whan
    • Journal of Ocean Engineering and Technology
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    • v.25 no.5
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    • pp.9-14
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    • 2011
  • The divergence-free finite elements introduced in this paper are derived from Hermite functions, which interpolate stream functions. Velocity bases are derived from the curl of the Hermite functions. These velocity basis functions constitute a solenoidal function space, and the gradient of the Hermite functions constitute an irrotational function space. The incompressible Navier-Stokes equation is orthogonally decomposed into its solenoidal and irrotational parts, and the decoupled Navier-Stokes equations are then projected onto their corresponding spaces to form appropriate variational formulations. The degrees of the Hermite functions we introduce in this paper are bi-cubis, quartic, and quintic. To verify the accuracy and convergence of the present method, three well-known benchmark problems are chosen. These are lid-driven cavity flow, flow over a backward facing step, and buoyancy-driven flow within a square enclosure. The numerical results show good agreement with the previously published results in all cases.

Optimum Location of Electrode of Cathodic Protection System by using Boundary Element Method (BEM을 이용한 Cathode 방식 시스템에서 전극 위치 최적화)

  • Lee, Kwang-Ho;Chung, Koon-Seok;Baik, Dong-Chul;Cho, Yun-Hyun
    • Proceedings of the KIEE Conference
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    • 2000.07b
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    • pp.772-774
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    • 2000
  • The objective of a cathodic protection system (CP) is to protect the buried metallic structure against the corrosion caused by chemical reaction between the buried structure and the surrounding medium, such as soil. This paper presents a boundary element application to determine the optimal impressed current densities in a cathodic protection system. The potential within the electrolyte is described by the Laplace's equation with nonlinear boundary conditions which are enforced based on experimentally determined electrochemical polarization curves. The optimal impressed current densities are determined in order to minimize the power supply for protection. The solution is obtained by using the conjugate gradient method in which the governing equations and the protecting conditions are taken into account by the penalty function method. Numerical example are presented to demonstrate the practical applicability of the proposed method.

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A study on the implementation of Imaging System for Magnetic Resonance Imaging (자기공명전단을 위한 영상화 시스템 구현에 관한 연구)

  • Jin, S.O.;Won, J.I.;Park, Y.H.;Huh, Y.;Kim, K.H.
    • Proceedings of the KIEE Conference
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    • 1998.11b
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    • pp.597-599
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    • 1998
  • The clinical acceptance of magnetic resonance imaging(MRI) system has been more rapid than that of the other medical image diagnosis system(X-ray, CT, etc) with the advantage of nonhazardous nature, high resolution capability, potential for chemically specified imaging. MRI system is composed of super conducting magnet, gradient fields, rf transceiver, system controller and imaging software technology. In this paper, introducing the principle of magnetic resonance imaging, it proposes the implementation of PC-based MRI system.

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Electronic Structure and Magnetism of CrP/SrBi Interface: A First Principles Study

  • Bialek, Beata;Lee, Jae-Il
    • Journal of Magnetics
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    • v.12 no.3
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    • pp.93-96
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    • 2007
  • We investigated the electronic structure and magnetic properties of zinc-blende CrP/SrBi interface by using the all-electron full-potential linearized augmented plane wave method within the generalized gradient approximation. It is found that the half-metallicity is destroyed when the two half-metals are in contact. Magnetic moments of the atoms forming the supercell differ considerably from the respective values obtained for the bulk structures of the two materials. Cr atoms being and not being in contact with Bi atoms have magnetic moment 3.43 and $2.69{\mu}_B$, respectively. Bi atoms lose their majority electrons which results in their negative polarization. Alkaline Sr atoms are very weakly negatively polarized. The spin distribution within the supercell is such that well separated regions of positive and negative polarization are seen, especially around the layer of P atoms being in contact with the layer of Sr atoms.

Surface and Interface Magnetism in CoTi/FeTi/CoTi(110)

  • Lee G.H.;Jin Y. J.;Lee J. I.;Hong S.C.
    • Journal of Magnetics
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    • v.10 no.1
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    • pp.1-4
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    • 2005
  • We investigated the electronic structures and the magnetic properties of Ti-based intermetallic system of CoTi/FeTi/CoTi(110) surface and interface by using the all-electron full potential linearized augmented plane wave (FLAPW) method within the generalized gradient approximation (GGA). The calculated magnetic moments of interface Co and Fe atoms are 0.65 and 0.15 μ/sub B/, respectively. Surface and interface magnetism of CoTi/FeTi/CoTi(110) are discussed using the calculated density of states (DOS) and the spin densities.

Metamagnetism in $Fe_3$Al Alloy

  • Rhee, Joo-Yull;Lee, Young-Pak
    • Journal of the Korean Vacuum Society
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    • v.12 no.S1
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    • pp.60-62
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    • 2003
  • In this study we report the results of ab initio first-principles calculations to investigate the possibility of metamagnetic behavior in Fe$_3$Al alloy. We used the WIEN2k package of full-potential linearized-augmented- plane-wave method within the local-spin-density approximation to the density-functional theory. The exchange-correlation functional is the generalized-gradient approximation of Perdew-Burke-Ernzerhof. The theoretical lattice constant, which is about 0.5% smaller than the experimental one, is obtained by minimizing the total energy. If the volume decreases about 9 % from the equilibrium, the total magnetic moment decreases abruptly from 4.6 $\mu_{B}$/f.u. to 4.0 $\mu_{B}$/f.u. Since this change is considerably large (∼14%), it is possible to measure by a simple high-pressure experiment at about 180 kbar.

On the Chemical Diffusion Coefficient of H2O in AB1-xBxO(3-x/2)-type Perobskites

  • Baek, Hyun-Deok;Virkar, Anil V.
    • Journal of the Korean Ceramic Society
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    • v.40 no.9
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    • pp.827-831
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    • 2003
  • In proton-conducting perovskites, oxygen ions and protons make a diffusion pair for a chemical diffusion and thus lead to the transport of $H_2O$ under its chemical potential gradient. The present manuscript develops relationships between the chemical diffusion coefficient of $H_2O$ and the diffusion coefficients of protons and oxygen vacancies with an emphasis on the thermodynamic behavior of the oxygen vacancies. Depending on the degree of hydration X, two different expressions of the chemical diffusion coefficient were obtained : equation omitted and equation omitted.