• Title/Summary/Keyword: Kinetic modeling

Search Result 262, Processing Time 0.04 seconds

MULTISCALE MODELING OF RADIATION EFFECTS ON MATERIALS: PRESSURE VESSEL EMBRITTLEMENT

  • Kwon, Jun-Hyun;Lee, Gyeong-Geun;Shin, Chan-Sun
    • Nuclear Engineering and Technology
    • /
    • v.41 no.1
    • /
    • pp.11-20
    • /
    • 2009
  • Radiation effects on materials are inherently multiscale phenomena in view of the fact that various processes spanning a broad range of time and length scales are involved. A multiscale modeling approach to embrittlement of pressure vessel steels is presented here. The approach includes an investigation of the mechanisms of defect accumulation, microstructure evolution and the corresponding effects on mechanical properties. An understanding of these phenomena is required to predict the behavior of structural materials under irradiation. We used molecular dynamics (MD) simulations at an atomic scale to study the evolution of high-energy displacement cascade reactions. The MD simulations yield quantitative information on primary damage. Using a database of displacement cascades generated by the MD simulations, we can estimate the accumulation of defects over diffusional length and time scales by applying kinetic Monte Carlo simulations. The evolution of the local microstructure under irradiation is responsible for changes in the physical and mechanical properties of materials. Mechanical property changes in irradiated materials are modeled by dislocation dynamics simulations, which simulate a collective motion of dislocations that interact with the defects. In this paper, we present a multi scale modeling methodology that describes reactor pressure vessel embrittlement in a light water reactor environment.

Simultaneous Estimation of Diffuse Pollution Loads and Model Parameters for River Water Quality Modeling (하천 수질모형에 의한 비점 오염 부하량과 모형 매개변수의 동시 추정)

  • Jun, Kyung-Soo;Kang, Ju-Whan
    • Journal of Korea Water Resources Association
    • /
    • v.37 no.12
    • /
    • pp.1009-1018
    • /
    • 2004
  • A systematic method using an optimal estimation algorithm is presented for simultaneous estimation of diffuse pollution distributed along a stream reach and model parameters for a stream water quality model. It was applied with the QVAL2E model to the South Han River for optimal estimation of kinetic constants and diffuse loads along the river. Initial calibration results for kinetic constants selected from a sensitivity analysis reveal that diffuse source inputs for nitrogen and phosphorus are essential to satisfy the system mass balance. Diffuse loads for total nitrogen and total phosphorus were estimated solving the expanded inverse problem. Comparison of kinetic constants estimated simultaneously with diffuse sources to those estimated without diffuse loads, suggests that diffuse sources must be included in the optimization not only for its own estimation but also for adequate estimation of the model parameters. Application of optimization method to river water quality modeling is discussed in terms of the sensitivity coefficient matrix structure.

Effects of a Telephone Follow-up Program on Patient Compliance, Urea Kinetic Modeling and Incidence of Infection in Patients with Continuous Ambulatory Peritoneal Dialysis (CAPD) (전화추후관리 프로그램이 복막투석환자의 치료지속이행, 투석적절도와 감염발생도에 미치는 효과)

  • Chon, Si-Ja;Shin, Sug-Kyun;Roh, Young-Sook;Lee, Suk-Jeong;Park, Ai-Hee;Park, Yang-Sook;Park, Young-Mi
    • Journal of Korean Academic Society of Home Health Care Nursing
    • /
    • v.16 no.2
    • /
    • pp.98-107
    • /
    • 2009
  • Purpose: The objective of this study was to identify the effects of a telephone follow-up program on patient compliance, urea kinetic modeling and incidence of infection in patients with continuous ambulatory peritoneal dialysis (CAPD). Method: A pretest-posttest design with a nonequivalent control group was used to examine the effects of a telephone follow-up program for 12 weeks in a group of 39 CAPD patients. The telephone follow-up group of 17 patients received telephone follow-up 10 min once a week for 1 month and 10 min twice a month for 2 months during 12 weeks compared to control group of 22 who patients received usual care. Results: The telephone follow-up group showed no significant changes in patient compliance and urea kinetic modeling, although patients with CAPD receiving a telephone follow-up showed reduced incidence of exit site infection during the intervention compared with the control group. Conclusion: Telephone follow-up program for CAPD patients may decrease the incidence of exit site infection. Future studies with a larger sample be done utilizing diet and exercise reinforcement program combined with telephone follow-up as a nursing intervention for patients with CAPD.

  • PDF

An Introduction to Kinetic Monte Carlo Methods for Nano-scale Diffusion Process Modeling (나노 스케일 확산 공정 모사를 위한 동력학적 몬테칼로 소개)

  • Hwang, Chi-Ok;Seo, Ji-Hyun;Kwon, Oh-Seob;Kim, Ki-Dong;Won, Tae-Young
    • Journal of the Institute of Electronics Engineers of Korea SD
    • /
    • v.41 no.6
    • /
    • pp.25-31
    • /
    • 2004
  • In this paper, we introduce kinetic Monte Carlo (kMC) methods for simulating diffusion process in nano-scale device fabrication. At first, we review kMC theory and backgrounds and give a simple point defect diffusion process modeling in thermal annealing after ion (electron) implantation into Si crystalline substrate to help understand kinetic Monte Carlo methods. kMC is a kind of Monte Carlo but can simulate time evolution of diffusion process through Poisson probabilistic process. In kMC diffusion process, instead of. solving differential reaction-diffusion equations via conventional finite difference or element methods, it is based on a series of chemical reaction (between atoms and/or defects) or diffusion events according to event rates of all possible events. Every event has its own event rate and time evolution of semiconductor diffusion process is directly simulated. Those event rates can be derived either directly from molecular dynamics (MD) or first-principles (ab-initio) calculations, or from experimental data.

Development of User-Friendly Modeling Software and Its Application in Processed Meat Products

  • Lee, Heeyoung;Lee, Panho;Lee, Soomin;Kim, Sejeong;Lee, Jeeyeon;Ha, Jimyeong;Choi, Yukyung;Oh, Hyemin;Yoon, Yohan
    • Journal of Food Hygiene and Safety
    • /
    • v.33 no.3
    • /
    • pp.157-161
    • /
    • 2018
  • The objective of this study was to develop software to predict the kinetic behavior and the probability of foodborne bacterial growth on processed meat products. It is designed for rapid application by non-specialists in predictive microbiology. The software, named Foodborne bacteria Animal product Modeling Equipment (FAME), was developed using Javascript and HTML. FAME consists of a kinetic model and a probabilistic model, and it can be used to predict bacterial growth pattern and probability. In addition, validation and editing of model equation are available in FAME. The data used by the software were constructed with 5,400 frankfurter samples for the kinetic model and 345,600 samples for the probabilistic model using a variety of combinations including atmospheric conditions, temperature, NaCl concentrations and $NaNO_2$ concentrations. Using FAME, users can select the concentrations of NaCl and $NaNO_2$ meat products as well as storage conditions (atmosphere and temperature). The software displays bacterial growth patterns and growth probabilities, which facilitate the determination of optimal safety conditions for meat products. FAME is useful in predicting bacterial kinetic behavior and growth probability, especially for quick application, and is designed for use by non-specialists in predictive microbiology.

Kinetic modeling analysis for the decolorization of dyes using a mixed adsorbent

  • Ravikumar, K.;Son, Young-A
    • Textile Coloration and Finishing
    • /
    • v.18 no.5 s.90
    • /
    • pp.42-47
    • /
    • 2006
  • A mixed adsorbent prepared by pyrolysing a mixture of carbon and flyash in 1:1 ratio was tested for its deceleration ability for three different classes of dyes namely, Astrazone Blue FRR(Basic Blue 69), Teflon flue ANL(Acid Blue 125) and Verofix Red(Reactive Red 3GL). Kinetic analyses were carried out at the optimum conditions obtained by the author in the previous studies. The data was fitted with three kinetic model equations. The results showed that the dye uptake mechanism followed the second-order rate expression.

Analysis of Flame Generated Turbulence for a Turbulent Premixed Flame with Zone Conditional Averaging (영역분할조건평균법을 이용한 난류예혼합화염내 난류운동에너지 생성에 관한 연구)

  • Im, Yong Hoon;Huh, Kang Yul
    • Journal of the Korean Society of Combustion
    • /
    • v.8 no.4
    • /
    • pp.15-23
    • /
    • 2003
  • The zone conditional two-fluid equations are derived and validated against DNS database of a premixed turbulent flame. The conditional statistics of major flow variables are investigated to understand the mechanism of flame generated turbulence. The flow field in burned zone shows substantially increased turbulent kinetic energy, which is highly anisotropic due to reaction kinematics across thin f1amelets. The transverse component may be larger than the axial component for a distributed pdf of the flamelet orientation angle, while the opposite occurs due to redistribution of turbulent kinetic energy and flamelet orientation normal to the flow at the end of a flame brush. The major source or sink terms of turbulent kinetic energy are the interfacial transfer by the mean reaction rate and the work terms by fluctuating pressure and velocity on a flame surface. Ad hoc modeling of some interfacial terms may be required for further application of the two-fluid model in turbulent combustion simulations.

  • PDF

Kinetic Monte Carlo Simulations for Defects Diffusion in Ion-implanted Crystalline

  • Jihyun Seo;Hwang, Ok-Chi;Ohseob Kwon;Kim, Kidong;Taeyoung Won
    • Proceedings of the IEEK Conference
    • /
    • 2003.07b
    • /
    • pp.731-734
    • /
    • 2003
  • An atomistic process modeling, Kinetic Monte Carlo simulation, has the advantage of being both conceptually simple and extremely powerful. Instead of diffusion equations, it is based on the definitions of the interactions between individual atoms and defects. Those interactions can be derived either directly from molecular dynamics, first principles calculations, or from experiment. In this paper, as a simple illustration of the kinetic Monte Carlo we simulate defects (self-interstitials and vacancies) diffusion after ion implantation in Si crystalline.

  • PDF