• Title/Summary/Keyword: coefficients of determination

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Friction of a Brownian Particle in a Lennard-Jones Solvent: A Molecular Dynamics Simulation Study

  • Lee, Song-Hi
    • Bulletin of the Korean Chemical Society
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    • v.31 no.4
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    • pp.959-964
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    • 2010
  • In this work, equilibrium molecular dynamics (MD) simulations in a microcanonical ensemble are performed to evaluate the friction coefficient of a Brownian particle (BP) in a Lennard-Jones (LJ) solvent. The friction coefficients are determined from the time dependent friction coefficients and the momentum autocorrelation functions of the BP with its infinite mass at various ratios of LJ size parameters of the BP and solvent, ${\sigma}_B/{\sigma}_s$. The determination of the friction coefficients from the decay rates of the momentum autocorrelation functions and from the slopes of the time dependent friction coefficients is difficult due to the fast decay rates of the correlation functions in the momentum-conserved MD simulation and due to the scaling of the slope as 1/N (N: the number of the solvent particle), respectively. On the other hand, the friction coefficient can be determined correctly from the time dependent friction coefficient by measuring the extrapolation of its long time decay to t=0 and also from the decay rate of the momentum autocorrelation function, which is obtained by time integration of the time dependent friction coefficient. It is found that while the friction coefficient increases quadratically with the ratio of ${\sigma}_B/{\sigma}_s$ for all ${\sigma}_B$, for a given ${\sigma}_s$ the friction coefficient increases linearly with ${\sigma}_B$.

Analysis of Inter-satellite Ranging Precision for Gravity Recovery in a Satellite Gravimetry Mission

  • Kim, Pureum;Park, Sang-Young;Kang, Dae-Eun;Lee, Youngro
    • Journal of Astronomy and Space Sciences
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    • v.35 no.4
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    • pp.243-252
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    • 2018
  • In a satellite gravimetry mission similar to GRACE, the precision of inter-satellite ranging is one of the key factors affecting the quality of gravity field recovery. In this paper, the impact of ranging precision on the accuracy of recovered geopotential coefficients is analyzed. Simulated precise orbit determination (POD) data and inter-satellite range data of formation-flying satellites containing white noise were generated, and geopotential coefficients were recovered from these simulated data sets using the crude acceleration approach. The accuracy of the recovered coefficients was quantitatively compared between data sets encompassing different ranging precisions. From this analysis, a rough prediction of the accuracy of geopotential coefficients could be obtained from the hypothetical mission. For a given POD precision, a ranging measurement precision that matches the POD precision was determined. Since the purpose of adopting inter-satellite ranging in a gravimetry mission is to overcome the imprecision of determining orbits, ranging measurements should be more precise than POD. For that reason, it can be concluded that this critical ranging precision matching the POD precision can serve as the minimum precision requirement for an on-board ranging device. Although the result obtained herein is about a very particular case, this methodology can also be applied in cases where different parameters are used.

Vignetting Dimensional Geometric Models and a Downhill Simplex Search

  • Kim, Hyung Tae;Lee, Duk Yeon;Choi, Dongwoon;Kang, Jaehyeon;Lee, Dong-Wook
    • Current Optics and Photonics
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    • v.6 no.2
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    • pp.161-170
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    • 2022
  • Three-dimensional (3D) geometric models are introduced to correct vignetting, and a downhill simplex search is applied to determine the coefficients of a 3D model used in digital microscopy. Vignetting is nonuniform illuminance with a geometric regularity on a two-dimensional (2D) image plane, which allows the illuminance distribution to be estimated using 3D models. The 3D models are defined using generalized polynomials and arbitrary coefficients. Because the 3D models are nonlinear, their coefficients are determined using a simplex search. The cost function of the simplex search is defined to minimize the error between the 3D model and the reference image of a standard white board. The conventional and proposed methods for correcting the vignetting are used in experiments on four inspection systems based on machine vision and microscopy. The methods are investigated using various performance indices, including the coefficient of determination, the mean absolute error, and the uniformity after correction. The proposed method is intuitive and shows performance similar to the conventional approach, using a smaller number of coefficients.

Validation of an analytical method for cyanide determination in blood, urine, lung, and skin tissues of rats using gas chromatography mass spectrometry (GC-MS)

  • Shin, Min-Chul;Kwon, Young Sang;Kim, Jong-Hwan;Hwang, Kyunghwa;Seo, Jong-Su
    • Analytical Science and Technology
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    • v.32 no.3
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    • pp.88-95
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    • 2019
  • This study was conducted to establish the analytical method for the determination of cyanide in blood, urine, lung and skin tissues in rats. In order to detect or quantify the sodium cyanide in above biological matrixes, it was derivatized to Pentafluorobenzyl cyanide (PFB-CN) using pentafluorobenzyl bromide (PFB-Br) and then reaction substance was analyzed using gas chromatography mass spectrometer (GC/MS)-SIM (selected ion monitoring) mode. The analytical method for cyanide determination was validated with respect to parameters such as selectivity, system suitability, linearity, accuracy and precision. No interference peak was observed for the determination of cyanide in blank samples, zero samples and lower limit of quantification (LLOQ) samples. The lowest limit detection (LOD) for cyanide was $10{\mu}M$. The linear dynamic range was from 10 to $200{\mu}M$ for cyanide with correlation coefficients higher than 0.99. For quality control samples at four different concentrations including LLOQ that were analyzed in quintuplicate, on six separate occasions, the accuracy and precision range from -14.1 % to 14.5% and 2.7 % to 18.3 %, respectively. The GC/MS-based method of analysis established in this study could be applied to the toxicokinetic study of cyanide on biological matrix substrates such as blood, urine, lung and skin tissues.

Chemical and Physical Predictors of the Nutritive Value of Wheat in Broiler Diets

  • Ball, M.E.E.;Owens, B.;McCracken, K.J.
    • Asian-Australasian Journal of Animal Sciences
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    • v.26 no.1
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    • pp.97-107
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    • 2013
  • The aim of this study was to establish relationships between chemical and physical parameters of wheat with performance and digestibilities of feed components in broiler chickens fed on wheat-based diets. Ninety-four wheat samples were selected for inclusion in four bird trials. Birds were housed in individual wire metabolism cages from 7 to 28 d and offered water and feed ad libitum. Dry matter intake (DMI), liveweight gain (LWG) and gain:feed were measured weekly. A balance collection was carried out from 14 to 21 d for determination of apparent metabolizable energy (AME), ME:gain, dry matter retention, oil and neutral detergent fibre (NDF) digestibility. At 28 d the birds were humanely killed, the contents of the jejunum removed for determination of in vivo viscosity and the contents of the ileum removed for determination of ileal dry matter, starch and protein digestibility. When wheat parameters were correlated with bird performance data, it was found that specific weight was not significantly (p>0.05) related to bird performance. Bird DMI, LWG and gain:feed were best correlated (p<0.05) with the rate of starch digestion, although the coefficients of correlation (r) were still low (0.246 to 0.523). A negative relationship (p<0.01) between AME and total (r = -0.432) and soluble (r = -0.304) non starch polysaccharide (NSP) was observed in this study. Thousand grain weight (TG) was positively correlated with DMI (r = 0.299), LWG (r = 0.343) and gain:feed (r = 0.371). When establishing multiple regression relationships, correlation coefficients greater than 0.8 were achieved for DMI, LWG, gain:feed and ileal crude protein digestibility. However, the economics involved in determining the parameters involved in the regressions make the process impractical.

Study of estimated model of drift through real ship (실선에 의한 표류 예측모델에 관한 연구)

  • Chang-Heon LEE;Kwang-Il KIM;Sang-Lok YOO;Min-Son KIM;Seung-Hun HAN
    • Journal of the Korean Society of Fisheries and Ocean Technology
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    • v.60 no.1
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    • pp.57-70
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    • 2024
  • In order to present a predictive drift model, Jeju National University's training ship was tested for about 11 hours and 40 minutes, and 81 samples that selected one of the entire samples at ten-minute intervals were subjected to regression analysis after verifying outliers and influence points. In the outlier and influence point analysis, although there is a part where the wind direction exceeds 1 in the DFBETAS (difference in Betas) value, the CV (cumulative variable) value is 6%, close to 1. Therefore, it was judged that there would be no problem in conducting multiple regression analyses on samples. The standard regression coefficient showed how much current and wind affect the dependent variable. It showed that current speed and direction were the most important variables for drift speed and direction, with values of 47.1% and 58.1%, respectively. The analysis showed that the statistical values indicated the fit of the model at the significance level of 0.05 for multiple regression analysis. The multiple correlation coefficients indicating the degree of influence on the dependent variable were 83.2% and 89.0%, respectively. The determination of coefficients were 69.3% and 79.3%, and the adjusted determination of coefficients were 67.6% and 78.3%, respectively. In this study, a more quantitative prediction model will be presented because it is performed after identifying outliers and influence points of sample data before multiple regression analysis. Therefore, many studies will be active in the future by combining them.

Prediction of random-regression coefficient for daily milk yield after 305 days in milk by using the regression-coefficient estimates from the first 305 days

  • Yamazaki, Takeshi;Takeda, Hisato;Hagiya, Koichi;Yamaguchi, Satoshi;Sasaki, Osamu
    • Asian-Australasian Journal of Animal Sciences
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    • v.31 no.10
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    • pp.1542-1549
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    • 2018
  • Objective: Because lactation periods in dairy cows lengthen with increasing total milk production, it is important to predict individual productivities after 305 days in milk (DIM) to determine the optimal lactation period. We therefore examined whether the random regression (RR) coefficient from 306 to 450 DIM (M2) can be predicted from those during the first 305 DIM (M1) by using a RR model. Methods: We analyzed test-day milk records from 85,690 Holstein cows in their first lactations and 131,727 cows in their later (second to fifth) lactations. Data in M1 and M2 were analyzed separately by using different single-trait RR animal models. We then performed a multiple regression analysis of the RR coefficients of M2 on those of M1 during the first and later lactations. Results: The first-order Legendre polynomials were practical covariates of RR for the milk yields of M2. All RR coefficients for the additive genetic (AG) effect and the intercept for the permanent environmental (PE) effect of M2 had moderate to strong correlations with the intercept for the AG effect of M1. The coefficients of determination for multiple regression of the combined intercepts for the AG and PE effects of M2 on the coefficients for the AG effect of M1 were moderate to high. The daily milk yields of M2 predicted by using the RR coefficients for the AG effect of M1 were highly correlated with those obtained by using the coefficients of M2. Conclusion: Milk production after 305 DIM can be predicted by using the RR coefficient estimates of the AG effect during the first 305 DIM.

Effects of Different Methods for Determining the Number of Transferable Embryos on Genetic Gain and Inbreeding Coefficient in a Japanese Holstein MOET Breeding Population

  • Terawaki, Y.;Asada, Y.
    • Asian-Australasian Journal of Animal Sciences
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    • v.14 no.5
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    • pp.597-602
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    • 2001
  • This study was conducted to examine the relationships between the methods used to determine the number of transferable embryos collected per flush and the estimated cumulative genetic improvements in the Japanese Holstein MOET breeding population. Cumulative genetic improvements were predicted by Monte Carlo simulation using three different determination methods (MODEL 1, MODEL 2, and MODEL 3), for calculating the number of embryos collected per flush. Moreover EBVs were estimated including or ignoring coefficients of inbreeding in MME. Inbreeding coefficients were also predicted. The number of transferable embryos was determined using normal, gamma, and Poisson distributions in MODEL 1, gamma and Poisson distributions in MODEL 2, and only the Poisson distribution in MODEL 3. The fitness of MODEL 2 in relation to field data from Hokkaido Japan was the best, and the results for MODEL3 indicated that this model is unsuitable for determining the number of transferable embryos. The largest cumulative genetic improvement (3.11) in the 10th generation was predicted by MODEL 3 and the smallest (2.83) by MODEL 2. Mean coefficients of correlation between the true and estimated breeding values were 0.738, 0.729, and 0.773 in MODELS 1, 2, and 3, respectively. It is suggested that the smallest genetic improvement in MODEL 2 resulted from the smallest correlation coefficient between the true and estimated breeding values. The differences in milk, fat, and protein yields between MODELS 2 and 3 were 182.0, 7.0, and 5.6 kg, respectively, in real units when each trait was independently selected. The inbreeding coefficient was the highest (0.374) in MODEL 2 and the lowest (0.357) in MODEL 3. The effects of different methods for determining the number of transferable embryos per flush on genetic improvements and inbreeding coefficients of the simulated populations were remarkable. The effects of including coefficients of inbreeding in MME, however, were unclear.

Comparison of Several Methods for the Determination of Available Phosphorus in the Soils for Corn and Rice (전(田)·답토양(畓土壤)의 유효인산(有效燐酸) 분석방법(分析方法) 비교(比較) 연구(硏究))

  • Park, Baeg-Gyoon;Yoon, Jung-Hui;Ho, Qyo-Soon
    • Korean Journal of Soil Science and Fertilizer
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    • v.31 no.1
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    • pp.1-8
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    • 1998
  • To compare different methods for the determination of available soil P in the relationship between the soil P and plant uptake of P, rice and corn were cultivated in the pot filled with soils of different available P contents. The soils were taken from 20 rice fields and 20 upland soils. The available soil P were determined before the experiment by Olsen, Lancaster, Bray 1, Bray 2, Mehlich II and Calcium lactate methods and the correlations between the available soil P measured by different methods and the amount of P taken up by corn at 10 leaf stage and by rice at maximum tillering stage were investigated. In upland soils, the available P measured by all the methods was linearly regressed with high significance to the amount of P taken up by corn. The coefficients of determination($R^2$) in the regression equations ranged from 0.596(Calcium lactate method) to 0.891(Olsen method). In rice soils, the soil available P did not regressed by first-order to the amount of P taken up by rice plant, while Michaelis-Menten equation better explained the relationship between the two parameters. In the Michaelis-Menten equation the coefficients of determination for each analytical method ranged from 0.607(Mehlich II method) to 0.923(Lancaster method). Based upon these observations it is concluded that for testing of available P for corn soils Olsen, Bray 2 and Lancaster methods are equally superior to other methods. For rice soils Lancaster, Bray 1, and Bray 2 methods are better than others.

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A study of the correlation coefficients with respect to the degrees of the global models in the kriging metamodel (크리깅 메타모델에서 전역 모델에 따른 상관계수의 연구)

  • Cho, Su-Kil;Lee, Tae-Hee
    • Proceedings of the KSME Conference
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    • 2008.11a
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    • pp.701-705
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    • 2008
  • Design analysis and computer experiments (DACE) model is widely used to express efficiently the nonlinear responses in the field of engineering design. Kriging model, a DACE model, can approximately replace a simulation model that is very expensive or highly nonlinear. The kriging model is composed of the summation of a global model and a local model representing deviation from global model. The local model is determined by correlation coefficient of the pre-sampled points, where determination of the correct correlation coefficient has an effect on accuracy and robustness of the kriging model. Therefore, robustness of the correlation coefficient is explored with respect to degrees of the global model. Then we propose the range of correlation coefficient to make correct and robust kriging model and the influence of the correlation coefficients on the degrees of global model with respect to the nonlinearity of the pre-sampled responses.

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