• Title/Summary/Keyword: Langevin

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Numerical Simulation far the Non-Spherical Aggregation of Charged Particles (하전 입자의 비구형 응집 성장에 대한 수치적 연구)

  • Park, Hyeong-Ho;Kim, Sang-Su;Jang, Hyeok-Sang
    • Transactions of the Korean Society of Mechanical Engineers B
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    • v.26 no.2
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    • pp.227-237
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    • 2002
  • A numerical technique for simulating the aggregation of charged particles was presented with a Brownian dynamic simulation in the free molecular regime. The Langevin equation was used for tracking each particle making up an aggregate. A periodic boundary condition was used for calculation of the aggregation process in each cell with 500 primary particles of 16 nm in diameter. We considered the thermal force and the electrostatic force for the calculation of the particle motion. The electrostatic force on a particle in the simulation cell was considered as a sum of electrostatic forces from other particles in the original cell and its replicate cells. We assumed that the electric charges accumulated on an aggregate were located on its center of mass, and aggregates were only charged with pre-charged primary particles. The morphological shape of aggregates was described in terms of the fractal dimension. In the simulation, the fractal dimension for the uncharged aggregate was D$\_$f/ = 1.761. The fractal dimension changed slightly for the various amounts of bipolar charge. However, in case of unipolar charge, the fractal dimension decreased from 1.641 to 1.537 with the increase of the average number of charges on the particles from 0.2 to 0.3 in initial states. In the bipolar charge state, the average sizes of aggregates were larger than that of the uncharged state in the early and middle stages of aggregation process, but were almost the same as the case of the uncharged state in the final stage. On the other hand, in the unipolar charge state, the average size of aggregates and the dispersion of particle volume decreased with the increasing of the charge quantities.

Size Distribution and Temperature Dependence of Magnetic Anisotropy Constant in Ferrite Nanoparticles

  • Yoon, Sunghyun
    • Proceedings of the Korean Magnestics Society Conference
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    • 2012.11a
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    • pp.104-105
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    • 2012
  • The temperature dependence of the effective magnetic anisotropy constant K(T) of ferrite nanoparticles is obtained based on the measurements of SQUID magnetometry. For this end, a very simple but intuitive and direct method for determining the temperature dependence of anisotropy constant K(T) in nanoparticles is introduced in this study. The anisotropy constant at a given temperature is determined by associating the particle size distribution f(r) with the anisotropy energy barrier distribution $f_A(T)$. In order to estimate the particle size distribution f(r), the first quadrant part of the hysteresis loop is fitted to the classical Langevin function weight-averaged with the log?normal distribution, slightly modified from the original Chantrell's distribution function. In order to get an anisotropy energy barrier distribution $f_A(T)$, the temperature dependence of magnetization decay $M_{TD}$ of the sample is measured. For this measurement, the sample is cooled from room temperature to 5 K in a magnetic field of 100 G. Then the applied field is turned off and the remanent magnetization is measured on stepwise increasing the temperature. And the energy barrier distribution $f_A(T)$ is obtained by differentiating the magnetization decay curve at any temperature. It decreases with increasing temperature and finally vanishes when all the particles in the sample are unblocked. As a next step, a relation between r and $T_B$ is determined from the particle size distribution f(r) and the anisotropy energy barrier distribution $f_A(T)$. Under the simple assumption that the superparamagnetic fraction of cumulative area in particle size distribution at a temperature is equal to the fraction of anisotropy energy barrier overcome at that temperature in the anisotropy energy barrier distribution, we can get a relation between r and $T_B$, from which the temperature dependence of the magnetic anisotropy constant was determined, as is represented in the inset of Fig. 1. Substituting the values of r and $T_B$ into the $N{\acute{e}}el$-Arrhenius equation with the attempt time fixed to $10^{-9}s$ and measuring time being 100 s which is suitable for conventional magnetic measurement, the anisotropy constant K(T) is estimated as a function of temperature (Fig. 1). As an example, the resultant effective magnetic anisotropy constant K(T) of manganese ferrite decreases with increasing temperature from $8.5{\times}10^4J/m^3$ at 5 K to $0.35{\times}10^4J/m^3$ at 125 K. The reported value for K in the literatures is $0.25{\times}10^4J/m^3$. The anisotropy constant at low temperature region is far more than one order of magnitude larger than that at 125 K, indicative of the effects of inter?particle interaction, which is more pronounced for smaller particles.

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Design Sensitivity Analysis of Coupled MD-Continuum Systems Using Bridging Scale Approach (브리징 스케일 기법을 이용한 분자동역학-연속체 연성 시스템의 설계민감도 해석)

  • Cha, Song-Hyun;Ha, Seung-Hyun;Cho, Seonho
    • Journal of the Computational Structural Engineering Institute of Korea
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    • v.27 no.3
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    • pp.137-145
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    • 2014
  • We present a design sensitivity analysis(DSA) method for multiscale problems based on bridging scale decomposition. In this paper, we utilize a bridging scale method for the coupled system analysis. Since the analysis of full MD systems requires huge amount of computational costs, a coupled system of MD-level and continuum-level simulation is usually preferred. The information exchange between the MD and continuum levels is taken place at the MD-continuum boundary. In the bridging scale method, a generalized Langevin equation(GLE) is introduced for the reduced MD system and the GLE force using a time history kernel is applied at the boundary atoms in the MD system. Therefore, we can separately analyze the MD and continuum level simulations, which can accelerate the computing process. Once the simulation of coupled problems is successful, the need for the DSA is naturally arising for the optimization of macro-scale design, where the macro scale performance of the system is maximized considering the micro scale effects. The finite difference sensitivity is impractical for the gradient based optimization of large scale problems due to the restriction of computing costs but the analytical sensitivity for the coupled system is always accurate. In this study, we derive the analytical design sensitivity to verify the accuracy and applicability to the design optimization of the coupled system.

Evaluation of high power ultrasonic energy transmission characteristics of a liquid matching layer by using sonoluminescence (소노루미네센스를 이용한 액체정합층의 고출력 초음파에너지 전달특성 평가)

  • Kim, Jungsoon;Kim, Haeun;Son, Jinyoung;Kim, Moojoon
    • The Journal of the Acoustical Society of Korea
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    • v.40 no.5
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    • pp.408-416
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    • 2021
  • In the ultrasonic dispersion, in order to avoid direct contact of the radiation surface of ultrasonic transducers with a liquid sample, the liquid sample is separated by a glass container and it receives ultrasonic energy through an acoustic medium. The transmission efficiency of the ultrasonic energy in the multi-layered ultrasonic system is an important factor. In this study, we suggested a method that can improve the ultrasonic energy transfer efficiency by using a propylene glycol solution as a liquid matching layer in the multi-layered acoustic system. In this method, a propylene glycol solution was filled between the Langevin-type ultrasonic transducer and the luminol solution and the sonoluminescence phenomena in the luminol solution, which is caused by nonlinear effect of high power ultrasound radiated from the transducer, was examined by using a Photo Multiplier Tube (PMT). The transmission efficiency depending on the concentration of propylene glycol solution was observed, and we can see that as the concentration of the propylene glycol solution increased, the matching effect increased while the acoustic attenuation increased. It was confirmed that there is an optimal concentration compromised these two conflicting conditions, and the optimum concentration of the propylene glycol solution was determined experimentally.

Measurement of sonoluminescence intensity for evaluation of the amount of radical generated by ultrasonic cavitation (초음파 캐비테이션에 의해 생성되는 라디칼의 발생량 평가를 위한 소노루미네센스 발광강도의 측정)

  • Jungsoon Kim;Moojoon Kim
    • The Journal of the Acoustical Society of Korea
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    • v.42 no.1
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    • pp.50-56
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    • 2023
  • The hydroxyl radical (·OH) and superoxide anion radical (·O2- ) generated by the shock wave generated during ultrasonic cavitation collapse in TiO2 suspension are highly useful because they can sterilize and disinfect. For practical use as a sterilization method without any chemicals, in this study, we proposed a method for evaluating the generation of radicals generated by high-intensity ultrasound emitted to titanium dioxide suspension. In the proposed method, the sonoluminescence phenomenon, which emits light by ultrasonic cavitation decay energy, was utilized, and the degree of radical generation was evaluated through the amount of light energy by sonoluminescence. As a result, even at a low concentration of titanium dioxide of 0.02 wt%, light energy 5 times higher than in the absence of titanium dioxide was received. After that, as the concentration increased by 0.1 wt%, the luminous intensity of sonoluminescence increased linearly by about 14.8 × 10-12 lm. Therefore, it was confirmed that the radicals generated by radiating high-intensity ultrasound to the titanium dioxide suspension increased linearly as the concentration of titanium dioxide increased within a given concentration range.