• Title/Summary/Keyword: Langevin

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Free Energy Estimation in Dissipative Particle Dynamics

  • Bang, Subin;Noh, Chanwoo;Jung, YounJoon
    • Proceeding of EDISON Challenge
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    • 2016.03a
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    • pp.37-54
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    • 2016
  • The methods for estimating the change of free energy in dissipative particle dynamics (DPD) are discussed on the basis of fluctuation theorems. Fluctuation theorems are tactics to evaluate free energy changes from non-equilibrium work distributions and have several forms, as proposed by Jarzynski, Crooks, and Bennett. The validity of these methods however, has been shown merely with the molecular dynamics or Langevin dynamics. In this study, the appropriate forms of fluctuation theorems for dissipative particle dynamics, which has similar structure to that of Langevin dynamics, are suggested using Liouville's theorem, and they are proved equivalent to original fluctuation theorems. Work distribution functions, which are probability distribution functions of works exerted on the system within the systematic change, are the basics of fluctuation theorems and their shapes are turned out to be dependent on the phase space trajectory of the change of the system. The reliability of Jarzynski and Crooks methods is highly dependent on the number of simulations to measure works and the shapes of the work distribution functions. Bennett method, however, can evaluate free energy changes even when Jarzynski and Crooks methods fail to do so.

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Quantum theory of multiwave mixing with a local field correction

  • An, Sung-Hyuck;Rhee, Bum-Ku
    • Journal of the Optical Society of Korea
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    • v.1 no.2
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    • pp.94-99
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    • 1997
  • In this paper, we calculate the four coefficients for the quantum theory of multiwave mixing including a local-field correction resulting from dipole-dipole interactions. We make contact with the semiclassical calculations of probe absorption and four-wave-mixing coupling coefficients, and illustrate the effects of local field corrections on resonance-fluorescence and coupled-mode-fluorescence spectra. The method uses the hybrid quantum-Langevin-equation master-equation approach of An and Sargent.

A New Lagrangian Stochastic Model for Prediction of Particle Dispersion in Turbulent Boundary Layer Flow (경계층 유동에서 입자확산의 예측을 위한 라그랑지안 확률모델)

  • Kim, Byung-Gu;Lee, Chang-Hoon
    • Proceedings of the KSME Conference
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    • 2003.04a
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    • pp.1851-1856
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    • 2003
  • A new Lagrangian stochastic dispersion model is developed by combining the GLM(generalized Langevin model) and the elliptic relaxation method. Under the physically plausible assumptions a simple analytical solution of elliptic relaxation is obtained. To compare the performance of our model with other model, the statistics of particle velocity as well as concentration are investigated. Numerical simulation results show good agreement with available experimental data.

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Vibration Characteristics of Piezoelectric Torsional Transducers (압전 비틀림 변환기의 진동특성 해석)

  • Kwon, Oh-Soo;Kim, Jin-O
    • Proceedings of the Korean Society for Noise and Vibration Engineering Conference
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    • 2000.06a
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    • pp.1280-1285
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    • 2000
  • The paper deals with a theoretical study on the vibrational characteristics of piezoelectric torsional transducers. The differential equations of piezoelectric torsional motion have been derived in terms of the circumferential displacement and the electric potential. Applying mechanical and electrical boundary conditions has yielded the characteristic equations of natural vibration in several transducer types. Numerical results have clarified the effect of the piezoelectric phenomenon on the mechanical resonance and the effect of the elastic block of a Langevin-type transducer on the natural frequency.

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Vibration Characteristics of Piezoelectric Torsional Transducers (압전 비틀림 변환기의 진동특성 해석)

  • 권오수;김진오
    • Journal of KSNVE
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    • v.10 no.6
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    • pp.955-962
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    • 2000
  • The paper deals with a theoretical study on the vibrational characteristics of piezoelectric torsional transducers. The differential equations of piezoelectric torsional motion have been derived in terms of the circumferential displacement and the electric potential. Applying mechanical and electrical boundary conditions has yielded the characteristic equations of natural vibration in several transducer types. Numerical results have clarified the effect of the piezoelectric phenomenon on the mechanical resonance and the effect of the elastic block of a Langevin-type transducer on the natural frequency.

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A Study on the Design for Untrasonic Spray Nozzle (초음파 분무기용 Nozzle 설계에 관한 연구)

  • Kim, Young-Ho;Cho, Bong-Hee
    • Proceedings of the KIEE Conference
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    • 1994.07b
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    • pp.1348-1350
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    • 1994
  • In this study, various nozzle of ultrasonic spray were designed by using Langevin type electrostriction transducer. The electrical and dynamic characteristics of ultrasonic nozzle with various horn type were investigated. We obtained the average particle size and size distribution profiles with output frequency.

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Development of a general purpose molecular simulation system from microscopic to mesoscopic scales (미시영역에서 중간역역까지 적용 가능한 범용 분자 시뮬레이션 시스템의 개발)

  • Oh, Kwang-Jin
    • The KIPS Transactions:PartD
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    • v.12D no.6 s.102
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    • pp.921-930
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    • 2005
  • In this paper, a general purpose molecular simulation system which has been developed by the author, are described. One of the most advantageous features is that the molecular simulation system can handle a coarse-grained model as well as an all-atom mode. Therefore, we can simulate mesoscopic phenomena as well as microscopic phenomena with the help of Langevin dynamics simulation and dissipative particle dynamics simulation techniques. Thus we could study anesthesia, protein folding, biopolymer flow in microchannel with single framework, which spans from microscopic to mesoscopic scales. We expect that we can also simulate many other bio/nano systems of technological importance which are not feasible by means of molecular dynamics simulation technique. Finally, performance data are shown and a bottleneck is identified for future optimization.

Studies on the Synthesis and Magnetic Properties of Cobalt Nanoparticles in the Polymer Film (코발트 나노 입자가 도입된 초상자성 고분자 박막의 제조 및 자성 연구)

  • Kim, Y.;Yoon, M.;Kim, Y.M.;Volkov, V.;Park, I.W.;Song, H.J.
    • Journal of the Korean Magnetics Society
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    • v.13 no.2
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    • pp.59-63
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    • 2003
  • Superparamagnetic properties of self-aggregated cobalt nanoparticles in the perfluorinated ion-exchange polymeric membrane (MF-4SK) prepared by ion-exchange and recovery methods were investigated by transmission electron microscopy (TEM) and superconducting quantum interference device (SQUID) magnetometer at various temperatures. Our experimental results show that cobalt nanoparticles in MF-4SK for the concentration of $7.8{\times}10^{19}$ atoms per 1 g of polymer membrane exhibit superparamagnetic properties above the average blocking temperature ($T_{B}$), which is determined to be around 185 K at applied field of 500 Oe. The average particle radius of 4.0 nm achieved from Langevin function fit is in good agreement with TEM observations. This experimental evidence suggests that cobalt nanoparticles in polymer film obey a single domain theory. The results are discussed in the light of current theory for the superparamagnetic behavior of magnetic nanoparticles.

Finite Element Analysis for the Development of Bone Surgery Piezoelectric Ultrasonic Medical Device and its Experimental Verification (골수술용 압전형 초음파 의료기기 개발을 위한 유한요소해석 및 이의 실험적 검증)

  • Song, Tae-Ha;Lee, Jung-Ho;Choi, Jong Kyun;Lee, Hee Won
    • Journal of Biomedical Engineering Research
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    • v.43 no.5
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    • pp.319-330
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    • 2022
  • In this study, the optimal driving frequency was derived through finite element analysis (FEA) to optimize the developed piezoelectric ultrasonic medical devices(PUMD) for bone surgery. The core of the PUMD is the piezoelectric ceramic (PZT), which is a vibrator that generates vibration energy. The piezoelectric ceramic shows the maximum current value with respect to the input voltage at the resonance frequency, which generates the maximum mechanical vibration. In the past, various studies have been conducted related to the analysis of PUMD, but most of the research so far has been limited to free vibration analysis. However, in order to derive the accurate resonant frequency, the initial stress generated by bolt tightening in the bolt-clamped Langevin type transducer (BLT) must be considered. In this study, after designing a PUMD, the driving performance according to the bolt tightening value was analyzed through FEA, and this was experimentally verified. First, the resonance mode and frequency response were confirmed through modal and harmonic analysis at 20-40 kHz, which is known as the optimal driving frequency band of PUMD for bone surgery. In addition, the design of the PUMD was confirmed by checking the mechanical behavior of the tip and the piezoelectric ceramic at the resonant frequency. Consequentially, the characteristic evaluation was performed, and it was confirmed that the resonant frequency result derived through the FEA was reasonable. Through this study, we presented a more rational FEA method than before for BLT transducers. We expect that this will shorten the time and cost of developing a PUMD, and will enable the development of more stable and high-quality products.

Magnetization of Magnetite Ferrofluid Studied by Using a Magnetic Balance

  • Jin, Daeseong;Kim, Hackjin
    • Bulletin of the Korean Chemical Society
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    • v.34 no.6
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    • pp.1715-1721
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    • 2013
  • Magnetic properties of magnetite ferrofluid are studied by measuring magnetic weights under different magnetic fields with a conventional electronic balance. Magnetite nanoparticles of 11 nm diameter are synthesized to make the ferrofluid. Magnetization calculated from the magnetic weight reveals the hysteresis and deviates from the Langevin function at high magnetic fields. Magnetic weight shifts instantaneously with magnetic field change by Neel and Brown mechanism. When high magnetic field is applied to the sample, slower change of magnetic weight is accompanied with the instantaneous shift via agglomeration of nanoparticles. The slow change of the magnetic weight shows the stretched exponential kinetics. The temporal change of the magnetic weight and the magnetization of the ferrofluid at high magnetic fields suggest that the superparamagnetic sample turns into superspin glass by strong magnetic interparticle interactions.