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Conformation of L-Ascorbic Acid in Solution 2. L-Ascorbic Acid Anion

  • Mi Suk Kim;Sung Hee Lee;Uoo Tae Chung;Young Kee Kang
    • Bulletin of the Korean Chemical Society
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    • v.12 no.2
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    • pp.143-148
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    • 1991
  • In the unhydrated and hydrated states, conformational free energies of L-ascorbic acid anion (AAA) were computed with an empirical potential function and the hydration shell model (a program CONBIO). The conformational energy was minimized from possible starting conformations expressed with five torsion angles of the molecule. The conformational entropy of each low energy conformation in both states was computed using a harmonic approximation. As found in L-ascorbic acid (AA), intramolecular hydrogen bonds (HBs) are proved to be of significant importance in stabilizing the overall conformations of AAA in both states, and give the folded conformations, which are quite different from those in crystal. There are competitions between HBs and hydration around O3 atom of the lactone ring and hydroxyls of the acyclic side chain. Especially, the whole conformation of AAA is strongly dependent on the water-accessibility of O3 atom. Though there is a significant effect of the hydration on conformational surface, the lowest energy conformation of the unhydrated AAA is conserved. The different patterns of HBs and hydration result in the conformations of AAA in both states being different from those of AA. It can be drawn by several feasible conformations obtained in the hydrated state that there exists an ensemble of several conformations in aqueous solution.

Capabilities of 1D CUF-based models to analyse metallic/composite rotors

  • Filippi, Matteo;Carrera, Erasmo
    • Advances in aircraft and spacecraft science
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    • v.3 no.1
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    • pp.1-14
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    • 2016
  • The Carrera Unified Formulation (CUF) is here extended to perform free-vibrational analyses of rotating structures. CUF is a hierarchical formulation, which enables one to obtain refined structural theories by writing the unknown displacement variables using generic functions of the cross-section coordinates (x, z). In this work, Taylor-like expansions are used. The increase of the theory order leads to three-dimensional solutions while, the classical beam models can be obtained as particular cases of the linear theory. The Finite Element technique is used to solve the weak form of the three-dimensional differential equations of motion in terms of "fundamental nuclei", whose forms do not depend on the adopted approximation. Including both gyroscopic and stiffening contributions, structures rotating about either transversal or longitudinal axis can be considered. In particular, the dynamic characteristics of thin-walled cylinders and composite blades are investigated to predict the frequency variations with the rotational speed. The results reveal that the present one-dimensional approach combines a significant accuracy with a very low computational cost compared with 2D and 3D solutions. The advantages are especially evident when deformable and composite structures are analyzed.

State-Feedback Backstepping Controller for Uncertain Pure-Feedback Nonlinear Systems Using Switching Differentiator (불확실한 순궤환 비선형 계통에 대한 스위칭 미분기를 이용한 상태궤환 백스테핑 제어기)

  • Park, Jang-Hyun
    • Journal of IKEEE
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    • v.23 no.2
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    • pp.716-721
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    • 2019
  • A novel switching differentiator-based backstepping controller for uncertain pure-feedback nonlinear systems is proposed. Using asymptotically convergent switching differentiator, time-derivatives of the virtual controls are directly estimated in every backstepping design steps. As a result, the control law has an extremely simple form and asymptotical stability of the tracking error is guaranteed regardless of parametric or unstructured uncertainties and unmatched disturbances in the considered system. It is required no universal approximators such as neural networks or fuzzy logic systems that are adaptively tuned online to cope with system uncertainties. Simulation results show the simplicity and performance of the proposed controller.

Kinetics of nitrification and acrylamide biodegradation by Enterobacter aerogenes and mixed culture bacteria in sequencing batch reactor wastewater treatment systems

  • Madmanang, Romsan;Jangkorn, Siriprapha;Charoenpanich, Jittima;Sriwiriyarat, Tongchai
    • Environmental Engineering Research
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    • v.24 no.2
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    • pp.309-317
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    • 2019
  • This study evaluated the kinetics of acrylamide (AM) biodegradation by mixed culture bacteria and Enterobacter aerogenes (E. aerogenes) in sequencing batch reactor (SBR) systems with AQUASIM and linear regression. The zero-order, first-order, and Monod kinetic models were used to evaluate the kinetic parameters of both autotrophic and heterotrophic nitrifications and both AM and chemical oxygen demand (COD) removals at different AM concentrations of 100, 200, 300, and 400 mg AM/L. The results revealed that both autotrophic and heterotrophic nitrifications and both AM and COD removals followed the Monod kinetics. High AM loadings resulted in the transformation of Monod kinetics to the first-order reaction for AM and COD removals as the results of the compositions of mixed substrates and the inhibition of the free ammonia nitrogen (FAN). The kinetic parameters indicated that E. aerogenes degraded AM and COD at higher rates than mixed culture bacteria. The FAN from the AM biodegradation increased both heterotrophic and autotrophic nitrification rates at the AM concentrations of 100-300 mg AM/L. At higher AM concentrations, the FAN accumulated in the SBR system inhibited the autotrophic nitrification of mixed culture bacteria. The accumulation of intracellular polyphosphate caused the heterotrophic nitrification of E. aerogenes to follow the first-order approximation.

Function space formulation of the 3-noded distorted Timoshenko metric beam element

  • Manju, S.;Mukherjee, Somenath
    • Structural Engineering and Mechanics
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    • v.69 no.6
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    • pp.615-626
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    • 2019
  • The 3-noded metric Timoshenko beam element with an offset of the internal node from the element centre is used here to demonstrate the best-fit paradigm using function space formulation under locking and mesh distortion. The best-fit paradigm follows from the projection theorem describing finite element analysis which shows that the stresses computed by the displacement finite element procedure are the best approximation of the true stresses at an element level as well as global level. In this paper, closed form best-fit solutions are arrived for the 3-noded Timoshenko beam element through function space formulation by combining field consistency requirements and distortion effects for the element modelled in metric Cartesian coordinates. It is demonstrated through projection theorems how lock-free best-fit solutions are arrived even under mesh distortion by using a consistent definition for the shear strain field. It is shown how the field consistency enforced finite element solution differ from the best-fit solution by an extraneous response resulting from an additional spurious force vector. However, it can be observed that when the extraneous forces vanish fortuitously, the field consistent solution coincides with the best-fit strain solution.

Free vibration analysis of steel liquid storage tank with functionally graded column based on modified continuum mechanics

  • Cavus, Yakup Harun;Kupeli, Togay;Yayli, Mustafa Ozgur
    • Coupled systems mechanics
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    • v.11 no.4
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    • pp.335-355
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    • 2022
  • It's important to note that the number of studies on the lateral vibration of steel liquid storage tanks has been quite modest in the past. The aim of this research has to look at the variables that affect vibration of storage tanks and to highlight the characteristics of a construction that hasn't received much attention in the literature. The storage tank has pre-sized in the study, and aluminum and steel have chosen as components. The specified material qualities and the factors utilized in the investigation has used to calculate vibration frequency values. The resulting calculations are backed up by tables and graphs, and it's an important to look into the parameters that affect the vibration frequencies that will occur on the designed storage tank vary. In the literature, water tanks are usually modelled as lumped masses. The horizontal stiffness of the column on which it is placed is assumed to be constant throughout. This is an approximation method of solving this problem. The column is handled in this study with a more realistic approach that fits the continuum mechanics in the analysis. The reservoir part is incorporated directly into the problem as the boundary condition.

Comparison of estimating vegetation index for outdoor free-range pig production using convolutional neural networks

  • Sang-Hyon OH;Hee-Mun Park;Jin-Hyun Park
    • Journal of Animal Science and Technology
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    • v.65 no.6
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    • pp.1254-1269
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    • 2023
  • This study aims to predict the change in corn share according to the grazing of 20 gestational sows in a mature corn field by taking images with a camera-equipped unmanned air vehicle (UAV). Deep learning based on convolutional neural networks (CNNs) has been verified for its performance in various areas. It has also demonstrated high recognition accuracy and detection time in agricultural applications such as pest and disease diagnosis and prediction. A large amount of data is required to train CNNs effectively. Still, since UAVs capture only a limited number of images, we propose a data augmentation method that can effectively increase data. And most occupancy prediction predicts occupancy by designing a CNN-based object detector for an image and counting the number of recognized objects or calculating the number of pixels occupied by an object. These methods require complex occupancy rate calculations; the accuracy depends on whether the object features of interest are visible in the image. However, in this study, CNN is not approached as a corn object detection and classification problem but as a function approximation and regression problem so that the occupancy rate of corn objects in an image can be represented as the CNN output. The proposed method effectively estimates occupancy for a limited number of cornfield photos, shows excellent prediction accuracy, and confirms the potential and scalability of deep learning.

Spatial dispersion of aggregate in concrete a computer simulation study

  • Hu, Jing;Chen, Huisu;Stroeven, Piet
    • Computers and Concrete
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    • v.3 no.5
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    • pp.301-312
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    • 2006
  • Experimental research revealed that the spatial dispersion of aggregate grains exerts pronounced influences on the mechanical and durability properties of concrete. Therefore, insight into this phenomenon is of paramount importance. Experimental approaches do not provide direct access to three-dimensional spacing information in concrete, however. Contrarily, simulation approaches are mostly deficient in generating packing systems of aggregate grains with sufficient density. This paper therefore employs a dynamic simulation system (with the acronym SPACE), allowing the generation of dense random packing of grains, representative for concrete aggregates. This paper studies by means of SPACE packing structures of aggregates with a Fuller type of size distribution, generally accepted as a suitable approximation for actual aggregate systems. Mean free spacing $\bar{\lambda}$, mean nearest neighbour distance (NND) between grain centres $\bar{\Delta}_3$, and the probability density function of ${\Delta}_3$ are used to characterize the spatial dispersion of aggregate grains in model concretes. Influences on these spacing parameters are studied of volume fraction and the size range of aggregate grains. The values of these descriptors are estimated by means of stereological tools, whereupon the calculation results are compared with measurements. The simulation results indicate that the size range of aggregate grains has a more pronounced influence on the spacing parameters than exerted by the volume fraction of aggregate. At relatively high volume density of aggregates, as met in the present cases, theoretical and experimental values are found quite similar. The mean free spacing is known to be independent of the actual dispersion characteristics (Underwood 1968); it is a structural parameter governed by material composition. Moreover, scatter of the mean free spacing among the serial sections of the model concrete in the simulation study is relatively small, demonstrating the sample size to be representative for composition homogeneity of aggregate grains. The distribution of ${\Delta}_3$ observed in this study is markedly skew, indicating a concentration of relatively small values of ${\Delta}_3$. The estimate of the size of the representative volume element (RVE) for configuration homogeneity based on NND exceeds by one order of magnitude the estimate for structure-insensitive properties. This is in accordance with predictions of Brown (1965) for composition and configuration homogeneity (corresponding to structure-insensitive and structure-sensitive properties) of conglomerates.

Measurements and Modeling of the Activity Coefficients and Solubilities of L-alanine in Aqueous Electrolyte Solutions (전해질 수용액에서 L-Alanine의 활동도계수와 용해도의 측정 및 모델링)

  • Lee, Bong-Seop;Kim, Ki-Chang
    • Korean Chemical Engineering Research
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    • v.48 no.4
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    • pp.519-533
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    • 2010
  • Activity oefficients and solubilities of L-Alanine in aqueous solutions containing each of four electrolytes(NaCl, KCl, $NaNO_3$ and $KNO_3$) were measured at 298.15 K. The measurements of activity coefficients were carried out in the electrochemical cell coupled with two ion-selective electrodes(cation and anion), and the solubilities were measured by the gravimetric analysis of saturated solutions in equilibrium with the solid phase of L-alanine. To model the activity coefficients and solubilities of amino acid in the amino acid/electrolyte aqueous solutions, thermodynamic relations of the residual Helmholtz free energy in the amino acid/electrolyte aqueous solutions were developed based on the perturbed-chain statistical associating fluid theory(PC-SAFT) combined with the primitive mean spherical approximation(primitive-MSA). In the present model, it is assumed that the zwitterions of L-alanine are associated with each other and cross-associated with water molecules, and also cross-associated with the cation and anion dissociated from an electrolyte(inorganic salt). The activity coefficients and solubilities of L-Alanine calculated from the theoretical model proposed in this work are found to be well agreeable with experimental data.

A Novel Fast Open-loop Phase Locking Scheme Based on Synchronous Reference Frame for Three-phase Non-ideal Power Grids

  • Xiong, Liansong;Zhuo, Fang;Wang, Feng;Liu, Xiaokang;Zhu, Minghua;Yi, Hao
    • Journal of Power Electronics
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    • v.16 no.4
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    • pp.1513-1525
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    • 2016
  • Rapid and accurate phase synchronization is critical for the reliable control of grid-tied inverters. However, the commonly used software phase-locked loop methods do not always satisfy the need for high-speed and accurate phase synchronization under severe grid imbalance conditions. To address this problem, this study develops a novel open-loop phase locking scheme based on a synchronous reference frame. The proposed scheme is characterized by remarkable response speed, high accuracy, and easy implementation. It comprises three functional cascaded blocks: fast orthogonal signal generation block, fast fundamental-frequency positive sequence component construction block, and fast phase calculation block. The developed virtual orthogonal signal generation method in the first block, which is characterized by noise immunity and high accuracy, can effectively avoid approximation errors and noise amplification in a wide range of sampling frequencies. In the second block, which is the foundation for achieving fast phase synchronization within 3 ms, the fundamental-frequency positive sequence components of unsymmetrical grid voltages can be achieved with the developed orthogonal signal construction strategy and the symmetrical component method. The real-time grid phase can be consequently obtained in the third block, which is free from self-tuning closed-loop control and thus improves the dynamic performance of the proposed scheme. The proposed scheme is adaptive to severe unsymmetrical grid voltages with sudden changes in magnitude, phase, and/or frequency. Moreover, this scheme is able to eliminate phase errors induced by harmonics and random noise. The validity and utility of the proposed scheme are verified by the experimental results.