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Journal articles on the topic 'First-principle Model'

Author: Grafiati

Published: 4 June 2021

Last updated: 11 February 2022

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1

Rezania, Vahid, and Jack A. Tuszynski. "A first principle ()-dimensional model for microtubule polymerization." Physics Letters A 372, no. 47 (November 2008): 7051–56. http://dx.doi.org/10.1016/j.physleta.2008.10.038.

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2

Nuñez, Matías, and Miguel Oscar Prado. "Adherence of Model Molecules to Silica Surfaces: First Principle Calculations." Physics Procedia 48 (2013): 214–19. http://dx.doi.org/10.1016/j.phpro.2013.07.034.

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3

Al Azri, M., M. Elzain, K. Bouziane, S. M. Chérif, A. Declémy, and L. Thomé. "Model for Mn in 6H-SiC from first-principle studies." Journal of Applied Physics 113, no. 17 (May 7, 2013): 17C305. http://dx.doi.org/10.1063/1.4798481.

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4

Hosking, David N., and Lorenzo Sironi. "A First-principle Model for Polarization Swings during Reconnection-powered Flares." Astrophysical Journal 900, no. 2 (September 4, 2020): L23. http://dx.doi.org/10.3847/2041-8213/abafa6.

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5

Sheppleman, John P., Gregory W. Smizaski, E. Curotto, and Massimo Mella. "An analytical potential energy model for ammonia–H2 from first principle." Chemical Physics Letters 535 (May 2012): 49–55. http://dx.doi.org/10.1016/j.cplett.2012.03.088.

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6

Gräber, Manuel, Christian Kirches, Johannes P. Schlöder, and Wilhelm Tegethoff. "Nonlinear Model Predictive Control of a Vapor Compression Cycle based on First Principle Models." IFAC Proceedings Volumes 45, no. 2 (2012): 258–63. http://dx.doi.org/10.3182/20120215-3-at-3016.00045.

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7

Karmakar, Anwesa, Rangachary Mukundan, Ping Yang, and Enrique R. Batista. "Solubility model of metal complex in ionic liquids from first principle calculations." RSC Advances 9, no. 32 (2019): 18506–26. http://dx.doi.org/10.1039/c9ra04042k.

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8

Hemmingsen, Lars, Lars Olsen, Jens Antony, and Stephan P. A. Sauer. "First principle calculations of 113Cd chemical shifts for proteins and model systems." JBIC Journal of Biological Inorganic Chemistry 9, no. 5 (June 19, 2004): 591–99. http://dx.doi.org/10.1007/s00775-004-0553-0.

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9

Wattanasarn, Hassakorn, and Tosawat Seetawan. "Studies Thermophysical Properties of MgO by First Principle Simulation." Advanced Materials Research 802 (September 2013): 139–43. http://dx.doi.org/10.4028/www.scientific.net/amr.802.139.

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The thermal properties of MgO were simulated by molecular dynamics (MD) method. In this present, we have investigated thermophysical properties of MgO at the temperature range from 300 to 2000 K. The MD could be indicated lattice parameter, bulk modulus, linear thermal expansion coefficient (αlin), heat capacity at constant volume, heat capacity at constant pressure, pair correlation of ions and thermal conductivity by partial ionic model (PIM). The Busing-Ida with potential parameters was employed for interatomic potential function. The results showed the lattice parameters, the αlin and the heat capacities of MgO increases with increasing temperature,whereas the bulk modulus and the thermal conductivity decreases with increasing temperature are agreement with literature data.

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10

Yan, Zhi Guo, Tong Jun Zhu, Ai Guo Xuan, and Yuan Xin Wu. "First Principle Study on Mn-Doped Ceria with Different Doping Concentration." Advanced Materials Research 712-715 (June 2013): 541–45. http://dx.doi.org/10.4028/www.scientific.net/amr.712-715.541.

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First-principle software bundle based on the density functional theory (DFT) is used to investigate pure CeOB2B and Mn-doped CeOB2B with different doping concentration. The structural model of CeOB2B crystal is constructed and geometrically optimized, the electron density of states and band structure calculated. The results are as follows: the valence band top of CeOB2B is made up with O2p and Ce5d states, and the existence of 4f unoccupied molecular orbital of CeOB2B facilitates the electronic storage. The theoretical calculation models of Mn-doped CeOB2B with different concentration are constructed and calculated, including 2*1*1, 2*2*1 and 2*2*2 supercell models. After CeOB2B is doped, hybridization happens between 4s orbitals of Mn atoms and 2p orbital of O atoms, resulting in 4s orbitals of Mn atoms lose electrons.Moreover, Mn atom is electron donor and O atoms is the electron acceptor. As the doping concentration decreases, the formation energy also decreases.And a smaller formation energy leads to a more stable structure.

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11

Jiang, Fan, Bo Hu, Weiguang Jia, and Yi Zhou. "First Principle Study of Salinity Measurement by 2D Material." Journal of Nanomaterials 2021 (August 17, 2021): 1–7. http://dx.doi.org/10.1155/2021/2046432.

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By using first principle calculations, a simple model of salinity sensor based on graphene electrode is constructed and its electron transport property is systematically investigated. It is found that all saltwater clusters at different salinity exhibit an obvious increase of the current while the saltwater to be detected is passing through the device. Moreover, only changing one Na atom acted as the conductive medium, and the electron transport behaviors could be clearly distinguished among the saltwater by negative differential resistance phenomenon, which demonstrates that the graphene-based salinity sensor could be capable of distinguishing saltwater at different salinity efficiently and accurately. This study provides a new path for the creation of the novel salinity sensor by graphene and other 2D material electrode.

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12

Garcia-Castello, Nuria, J. Daniel Prades, Roberto Orlando, and Albert Cirera. "Stability Model of Silicon Nanowire Polymorphs and First-Principle Conductivity of Bulk Silicon." Journal of Physical Chemistry C 116, no. 41 (October 3, 2012): 22078–85. http://dx.doi.org/10.1021/jp307449y.

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13

Ohta, Yasuhito, and Koji Ohta. "First principle study of the adsorption of atomic hydrogen on cluster-model surfaces." Synthetic Metals 152, no. 1-3 (September 2005): 329–32. http://dx.doi.org/10.1016/j.synthmet.2005.07.331.

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14

Wei, Ng Cheah, Mohamed Azlan Hussain, and Ahmad Khairi Abdul Wahab. "Control of a Batch Polymerization System Using Hybrid Neural Network - First Principle Model." Canadian Journal of Chemical Engineering 85, no. 6 (May 19, 2008): 936–45. http://dx.doi.org/10.1002/cjce.5450850616.

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15

Dai, Jiayang, Ning Chen, Xiaofeng Yuan, Weihua Gui, and Langhao Luo. "Temperature prediction for roller kiln based on hybrid first-principle model and data-driven MW-DLWKPCR model." ISA Transactions 98 (March 2020): 403–17. http://dx.doi.org/10.1016/j.isatra.2019.08.023.

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16

Lussignoli, Sabrina, Marlia Lucia Semizzi, Riccardo Ortolani, Andrea Signorini, and Paulo Bellavite. "The similia principle." British Homeopathic Journal 86, no. 02 (April 1997): 73–85. http://dx.doi.org/10.1016/s0007-0785(97)80121-4.

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AbstractWe have developed two models of the similarity principle, essentially based on the regulatory mechanisms of biological homeostasis. A first model (gating theory) is designed to explain a series of experimental findings obtained in our laboratory, pointing to the occurrence of inverse effects of various agents on human neutrophils in vitro. A second, more general, model (regulation of stressed homeostatic networks) is designed to integrate modern concepts of priming, desensitization and signal transduction into the classical homeopathic theory of inversion of effect at the clinical level, i.e. the symptom-based similia principle.

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17

Singh, Amit Kumar, Barjeev Tyagi, and Vishal Kumar. "First Principle Modeling and Neural Network–Based Empirical Modeling with Experimental Validation of Binary Distillation Column." Chemical Product and Process Modeling 8, no. 1 (September 4, 2013): 53–70. http://dx.doi.org/10.1515/cppm-2013-0011.

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Abstract To get the better product quality and to decrease the energy consumption of the distillation column, an accurate and suitable nonlinear model is crucial important. In this work, two types of model have been developed for an existing experimental setup of continuous binary distillation column (BDC). First model is a theoretical tray-to-tray binary distillation model for describing the steady-state behavior of composition in response to changes in reflux flows and in reboiler duty. Another model is an artificial neural network (ANN)–based input/output data relationship model. In ANN-based model, temperature of first tray, feed flow rate, and column pressures have been taken in addition to reflux flow rate and reboiler heat duty as inputs to give the more accurate I/O relationship. The comparison of output of ANN model and the equation-based model with the real-time output of the experimental setup of BDC has been given for the validation of developed models.

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18

Czop, Piotr, and Damian SŁawik. "A high-frequency first-principle model of a shock absorber and servo-hydraulic tester." Mechanical Systems and Signal Processing 25, no. 6 (August 2011): 1937–55. http://dx.doi.org/10.1016/j.ymssp.2011.01.011.

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19

Zhao, Xiaozhao, Yuexian Hou, Dawei Song, and Wenjie Li. "A Confident Information First Principle for Parameter Reduction and Model Selection of Boltzmann Machines." IEEE Transactions on Neural Networks and Learning Systems 29, no. 5 (May 2018): 1608–21. http://dx.doi.org/10.1109/tnnls.2017.2664100.

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20

Bisero, Diego. "A first-principle model of the magnetic contrast in ultrathin films with perpendicular magnetization." Modern Physics Letters B 31, no. 09 (March 30, 2017): 1750088. http://dx.doi.org/10.1142/s0217984917500889.

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In ultrathin films, the energy competition between the perpendicular magnetic anisotropy and the in-plane magnetostatic coupling can originate stripe domains. In such systems, the perpendicular magnetization component has a periodic modulation, pointing alternately upwards and downwards as the stripes are crossed. A measurement technique that is widely used to study these kind of domains is the magnetic force microscopy (MFM). As known, the MFM signal cannot be related immediately to the sample magnetization and the interpretation of the results is not always straightforward. Therefore, the achievement of a reliable contrast model for this technique in simple specific cases that could be directly compared with experimental results is highly desirable. In this paper, a first-principle model of the MFM contrast in the case of 1D magnetic nanostructures is proposed. An immediate application of the model pertains to the study of ultrathin films with perpendicular magnetization.

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21

Haack, Alexander, Jeff Crouse, Femke-Jutta Schlüter, Thorsten Benter, and W. Scott Hopkins. "A First Principle Model of Differential Ion Mobility: the Effect of Ion-Solvent Clustering." Journal of The American Society for Mass Spectrometry 30, no. 12 (November 21, 2019): 2711–25. http://dx.doi.org/10.1007/s13361-019-02340-1.

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22

Yar, Ahmed, Aamer Iqbal Bhatti, and Qadeer Ahmed. "First principle based control oriented model of a gasoline engine including multi-cylinder dynamics." Control Engineering Practice 70 (January 2018): 63–76. http://dx.doi.org/10.1016/j.conengprac.2017.09.020.

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23

Rasukkannu, Murugesan, Dhayalan Velauthapillai, and Ponniah Vajeeston. "First-Principle Calculation of High Absorption-TlGaTe2 for Photovoltaic Application." Materials 12, no. 17 (August 22, 2019): 2667. http://dx.doi.org/10.3390/ma12172667.

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We use first-principle calculations based on hybrid functional and the Bethe-Salpeter equation method to investigate the electronic and optical properties of dichalcogenide TlGaTe2. Based on theoretical studies, TlGaTe2 has until recently been considered as an indirect band gap material, however; by employing more accurate hybrid functional model, we showed that although TlGaTe2 has an indirect band gap of 1.109 eV, it also exhibits a fundamental direct band gap of 1.129 eV. Our finding was further confirmed by the optical studies on TlGaTe2, which show that the absorption peak is registered at a photon energy of 1.129 eV. It was also shown that TlGaTe2 has high optical absorption peaks in the visible region. Based on phonon and elastic constant calculations, it was shown that TlGaTe2 is dynamically and mechanically stable. Our findings show that TlGaTe2 is a potential candidate for photovoltaic application.

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24

Lee, Dongheon, Arul Jayaraman, and Joseph S. Kwon. "Development of a hybrid model for a partially known intracellular signaling pathway through correction term estimation and neural network modeling." PLOS Computational Biology 16, no. 12 (December 14, 2020): e1008472. http://dx.doi.org/10.1371/journal.pcbi.1008472.

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Developing an accurate first-principle model is an important step in employing systems biology approaches to analyze an intracellular signaling pathway. However, an accurate first-principle model is difficult to be developed since it requires in-depth mechanistic understandings of the signaling pathway. Since underlying mechanisms such as the reaction network structure are not fully understood, significant discrepancy exists between predicted and actual signaling dynamics. Motivated by these considerations, this work proposes a hybrid modeling approach that combines a first-principle model and an artificial neural network (ANN) model so that predictions of the hybrid model surpass those of the original model. First, the proposed approach determines an optimal subset of model states whose dynamics should be corrected by the ANN by examining the correlation between each state and outputs through relative order. Second, an L2-regularized least-squares problem is solved to infer values of the correction terms that are necessary to minimize the discrepancy between the model predictions and available measurements. Third, an ANN is developed to generalize relationships between the values of the correction terms and the system dynamics. Lastly, the original first-principle model is coupled with the developed ANN to finalize the hybrid model development so that the model will possess generalized prediction capabilities while retaining the model interpretability. We have successfully validated the proposed methodology with two case studies, simplified apoptosis and lipopolysaccharide-induced NFκB signaling pathways, to develop hybrid models with in silico and in vitro measurements, respectively.

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25

Hamja, H. "MODEL PEMBINAAN NARAPIDANA BERBASIS MASYARAKAT (COMMUNITY BASED CORRECTIONS) DALAM SISTEM PERADILAN PIDANA." Mimbar Hukum - Fakultas Hukum Universitas Gadjah Mada 27, no. 3 (February 10, 2016): 445. http://dx.doi.org/10.22146/jmh.15882.

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Community Based Correction is a type of coaching program for inmates as they live the rest of the sentence. They have been given the chance to return to society with a particular control or supervision. To implement the necessary operational program open prison five (5) basic principles, among others: the first principle prisoners should have the opportunity to obtain employment, the principle of the two prisoners must be selected first, third principle inmates should not be exploited, the fourth principle of security system should be a minimum, and The fifth principle of the transfer of responsibility for prisoners. Community Based Correction adalah jenis program pembinaan bagi narapidana sewaktu mereka menjalani sisa pidananya. Mereka diberi kesempatan untuk kembali ke tengah-tengah masyarakat dengan pengawasan atau supervisi tertentu. Untuk melaksanakan program operasional lapas terbuka diperlukan 5 (lima) prinsip dasar, antara lain: prinsip pertama narapidana harus memiliki kesempatan untuk memperoleh pekerjaan, prinsip kedua narapidana harus diseleksi terlebih dahulu, prinsip ketiga narapidana tidak boleh dieksploitasi, prinsip keempat sistem pengamanan harus minimum, dan prinsip kelima tanggung jawab pemindahan narapidana.

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26

Marc, Gelkopf, and Zakai Dan. "One More Criticism of the Multistore Model of Memory: An Experiment on the First-In-First-Out (FIFO) Principle." Journal of Psychology 125, no. 4 (July 1991): 497–99. http://dx.doi.org/10.1080/00223980.1991.10543313.

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27

Liu, Zao Bao, Wei Ya Xu, Fei Xu, and Lin Wei Wang. "Mechanical Parameter Analysis of Rock Material via PLSR Model." Key Engineering Materials 467-469 (February 2011): 1826–31. http://dx.doi.org/10.4028/www.scientific.net/kem.467-469.1826.

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Mechanical parameter analysis is a complicated issue since it is influenced by many factors. Closely related with the influencing factors of compressibility coefficients of rock material (sandstone), this article first introduces the way to process partial least square regression (PLSR) analysis. The process of carrying out PLSR is divided into six steps as for analysis and prediction of the regression model, which are data preparation, principle collection, regression model for first principle component, secondary principle analysis, establishment of final regression model and number determination of principal component l. And then introduces PLSR for application of analysis and prediction of compressibility coefficients with 30 experiment samples. Seven prediction samples are carried out by PLSR with the training process of 30 samples. The result shows PLSR has good accuracy in prediction under the condition that the model is properly deprived based on certain experimental samples. Finally, some conclusions are made for further study on both mechanical parameters and partial least square regression method.

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28

Adessi, Ch, S. Thebaud, R. Bouzerar, and G. Bouzerar. "First Principle Investigation on Thermoelectric Properties of Transition Metal Dichalcogenides: Beyond the Rigid Band Model." Journal of Physical Chemistry C 121, no. 23 (June 6, 2017): 12577–84. http://dx.doi.org/10.1021/acs.jpcc.7b02570.

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29

Smedarchina, Zorka, and Marek Zgierski. "Model, First-Principle Calculation of Ammonia Dissociation on Si(100) Surface. Importance of Proton Tunneling." International Journal of Molecular Sciences 4, no. 7 (June 25, 2003): 445–59. http://dx.doi.org/10.3390/i4070445.

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30

Amini, Hossein, and Ilgaz Akseli. "A first principle model for simulating the ribbon solid fraction during pharmaceutical roller compaction process." Powder Technology 368 (May 2020): 32–44. http://dx.doi.org/10.1016/j.powtec.2020.04.022.

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31

Munir, Nazia B., J. R. Mahan, and Kory J. Priestley. "First-principle model for the directional spectral absorptivity of gold-black in the near infrared." Journal of the Optical Society of America A 36, no. 10 (September 13, 2019): 1675. http://dx.doi.org/10.1364/josaa.36.001675.

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32

Raman, Sumathy, Robert W. Ashcraft, Marc Vial, and Marc L. Klasky. "Oxidation of Hydroxylamine by Nitrous and Nitric Acids. Model Development from First Principle SCRF Calculations." Journal of Physical Chemistry A 109, no. 38 (September 2005): 8526–36. http://dx.doi.org/10.1021/jp053003c.

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33

Kido, Kentaro, Hirofumi Sato, and Shigeyoshi Sakaki. "First Principle Theory for pKaPrediction at Molecular Level: pH Effects Based on Explicit Solvent Model." Journal of Physical Chemistry B 113, no. 30 (July 30, 2009): 10509–14. http://dx.doi.org/10.1021/jp903610p.

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34

Wogrin, Sonja, David Galbally, and Andrés Ramos. "CCGT unit commitment model with first-principle formulation of cycling costs due to fatigue damage." Energy 113 (October 2016): 227–47. http://dx.doi.org/10.1016/j.energy.2016.07.014.

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35

Saraireh, Sherin A., and Mohammednoor Altarawneh. "Electronic Structure of the CuCl2(100) Surface: A DFT First-Principle Study." Journal of Nanomaterials 2012 (2012): 1–7. http://dx.doi.org/10.1155/2012/767128.

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First-principle density functional theory (DFT) and a periodic-slab model have been utilized to investigate the structure of the CuCl2(100) surface. Structural parameters of the bulk CuCl2are reported and compared with the experimental values. The structure of the CuCl2(100) is calculated using a () supercell. Structural parameters in terms of bond lengths and bond angle are calculated. Electronic properties of the CuCl2(100) surface are investigated by calculating the density of state (DOS) and the projected density of state for a slab containing five layers.

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36

Dey, Debarati, Pradipta Roy, and Debashis De. "Design and Electronic Characterization of Bio-Molecular QCA: A First Principle Approach." Journal of Nano Research 49 (September 2017): 202–14. http://dx.doi.org/10.4028/www.scientific.net/jnanor.49.202.

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Molecular Quantum-dot Cellular Automata is the most promising and challenging technology nowadays for its high operating frequency, extremely high device density and non-cryogenic working temperature. In this paper, we report a First Principle approach based on analytical model of 3-dot Bio Molecular Quantum-dot Cellular Automata. The device is 19.62Å long and this bio molecular Quantum dot Cell has been made with two Adenine Nucleotide bio-molecules along with one Carbazole and one Thiol group. This whole molecular structure is supported onto Gold substrate. In this paper, two Adenine Nucleotides act as two quantum dots and Carbazole acts as another dot. These 3-Quantum-dots are mounted in a tree like structure supported with Thiol group. This model has been demonstrated with Extended Hückel Theory based semi-empirical method. The quantum ballistic transmission and HOMO-LUMO plot support the polarization state change. This state changing ability has been observed for this molecular device. Therefore, this property has been investigated and reported in this paper. HOMO-LUMO plot shows the two logic states along with null state for this 3-dots system. This phenomenon illustrates how the charge transfers take place. Two polarization states along with one additional null state have been obtained for this bio molecular nano device. This molecular device has been operated with 1000THz frequency. This nanoscale design approach will initiate one step towards the modeling of high frequency bio molecular Quantum dot Cell at room temperature.

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37

WU, JINSUI, DEZHI HU, WENJUN LI, and XIN CAI. "A REVIEW ON NON-DARCY FLOW — FORCHHEIMER EQUATION, HYDRAULIC RADIUS MODEL, FRACTAL MODEL AND EXPERIMENT." Fractals 24, no. 02 (June 2016): 1630001. http://dx.doi.org/10.1142/s0218348x16300014.

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In this paper, a brief summary of some of the relevant models for non-Darcy flow is reviewed, they mainly include seven models, among them three models are based on the average hydraulic radius, two are based on fractal geometry theory and technique, one is based on first principle, one is based on experimental measurement. Each model has its own advantages and disadvantages.

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38

Zhou, Lin, Qing Ming Zhang, Guang Fu Ji, and Zi Zheng Gong. "First Principle Study for the Melting Properties of Face-Centred-Cubic Aluminum." Key Engineering Materials 535-536 (January 2013): 342–45. http://dx.doi.org/10.4028/www.scientific.net/kem.535-536.342.

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Ab initio electronic structure optimization and total energy calculations for fcc aluminum are used to study the equation of state (EOS).Through fitting to quasi-harmonic Debye model, the thermodynamics properties of different temperatures are calculated. The melting curve at different pressures is presented based on Lindemann measures. The results show that the calculated EOS and the revised melting curve both are in a good agreement with the shock compression and the diamond-anvil-cell (DAC) data. The results illustrate that we can use simple static calculation method which takes less time to gain reasonable melting results. It can be used in the qualitative forecast for materials with difficult experiments.

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39

Zhao, Hui, Kai Yuan Liu, and Qian Han. "First-Principle Studies on the Stability of AlN(0001)/NbB₂(0001) Interface." Advanced Materials Research 1052 (October 2014): 18–23. http://dx.doi.org/10.4028/www.scientific.net/amr.1052.18.

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The stability behaviour of AlN(0001)/NbB2(0001) interface was calculated by first-principle total-energy density functional theory. The calculation indicated that the stable NbB2(0001) surface is B terminated. We joined the AlN(0001) slab and the NbB2(0001) slab with different terminations together to construct all possible AlN(0001)/NbB2(0001) interface models, and calculated their interface energies to confirm the relatively stable model. We concluded that the structure with Al is on top of B in the interface AlN (0001)/NbB2(0001) is the most stable configuration.

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40

Zhang, Dan Dan, Shou Shui Wei, Guo Lei Wang, and Chang Zhi Wei. "Dynamics Research of Ultrasonic Peristaltic Micro-Fluid Driving Model." Advanced Materials Research 199-200 (February 2011): 1391–96. http://dx.doi.org/10.4028/www.scientific.net/amr.199-200.1391.

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A new ultrasonic peristaltic micro-fluid driving model was presented on the principle of ultrasonic traveling wave and volume displacing mechanism. First, driving principle of the model was introduced and finite element model was developed. Second, the transient dynamics analysis was performed to observe the chambers traveling and the fluid flowing. What’s more, harmonic analysis was done to get its amplitude-frequency response characteristics. Third,the coupling modes filled with fluid was performed to prove its drivng effect. This can provide a guidance for furture fluid structure analysis to get better performance and efficiency.

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41

ZEKIROS, BIZU KINFE. "THE INSTRUCTIONAL PRACTICES OF SECONDARY SCHOOL TEACHERS IN ETHIOPIA: HULET EJU ENESIE WOREDA." International Journal of Research -GRANTHAALAYAH 8, no. 11 (November 25, 2020): 53–62. http://dx.doi.org/10.29121/granthaalayah.v8.i11.2020.1682.

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This study was examined secondary school teachers’ instructional practices by using First Principle of Instruction model as guiding principle. Both qualitative and quantitative methods were employed. The total populations of the study were 52. From these 40 Biology teachers, 4 directors, 4 supervisors and 4 department heads were selected through comprehensive sampling technique. Data were obtained through questionnaire, interview, classroom observation and document analysis. Various statistical tools such as mean, frequency and percentage were applied to analyze the data. The finding indicated that secondary school Biology teachers design their lessons by using First Principle of Instruction Model and they practiced it partially. And biology teacher’s instructional practices are aligned partially with First Principle of Instructional Model. Some factors that affect the design and implementation of the lessons based on the First Principle of Instruction model were identified: teachers’ related problems, students related problems, time constraints, policy issues, and resources. Based on the finding, it is recommended that woreda education office and general secondary schools should have to prepare short- and long-term training, seminars and workshop for teachers. Secondary school directors and supervisors should help teachers to have personal, professional knowledge and pedagogical skill. They should also support them by creating good educational environment.

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42

Zhao, Hong, and Thomas J. McAvoy. "Modeling of Activated Sludge Wastewater Treatment Processes Using Integrated Neural Networks and a First Principle Model." IFAC Proceedings Volumes 29, no. 1 (June 1996): 6774–79. http://dx.doi.org/10.1016/s1474-6670(17)58771-6.

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43

Barszcz, Tomasz, and Piotr Czop. "Optimization techniques applied in a tuning process of a feedwater heater’s first-principle data-driven model." SIMULATION 89, no. 9 (May 7, 2013): 1087–98. http://dx.doi.org/10.1177/0037549713485899.

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44

Tervaskanto, Manne, Rami Rantanen, Greg Fralic, Julien Noirault, and Atsushi Yamamoto. "Improving the Operation of a Continuous Digester Using Model Predictive Control and First Principle Soft Sensors." JAPAN TAPPI JOURNAL 70, no. 7 (2016): 684–90. http://dx.doi.org/10.2524/jtappij.70.684.

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Feng, Songke, Shuangming Li, and Hengzhi Fu. "First-principle calculation and quasi-harmonic Debye model prediction for elastic and thermodynamic properties of Bi2Te3." Computational Materials Science 82 (February 2014): 45–49. http://dx.doi.org/10.1016/j.commatsci.2013.09.037.

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Taniike, Toshiaki, and Minoru Terano. "Coadsorption model for first-principle description of roles of donors in heterogeneous Ziegler–Natta propylene polymerization." Journal of Catalysis 293 (September 2012): 39–50. http://dx.doi.org/10.1016/j.jcat.2012.06.001.

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Avella, A., F. Mancini, D. Villani, L. Siurakshina, and V. Yu Yushankhai. "The Hubbard Model in the Two-Pole Approximation." International Journal of Modern Physics B 12, no. 01 (January 10, 1998): 81–97. http://dx.doi.org/10.1142/s0217979298000065.

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The two-dimensional Hubbard model is analyzed in the framework of the two-pole expansion. It is demonstrated that several theoretical approaches, when considered at their lowest level, are all equivalent and share the property of satisfying the conservation of the first four spectral momenta. It emerges that the various methods differ only in the way of fixing the internal parameters and that it exists a unique way to preserve simultaneously the Pauli principle and the particle–hole symmetry. A comprehensive comparison with respect to some general symmetry properties and the data from quantum Monte Carlo analysis shows the relevance of imposing the Pauli principle.

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Mokhov, A. A. "Principles of Legal Regulation of the State Model of National Health Care." Actual Problems of Russian Law 16, no. 3 (April 5, 2021): 85–96. http://dx.doi.org/10.17803/10.17803/1994-1471.2021.124.3.085-096.

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In the healthcare industry, and in general, in the sector of citizens’ health care of the Russian Federation, a number of problems have accumulated that require an immediate solution. Many of them cannot be solved without serious organizational, legal and other changes, significant modernization or change of the current budgetary and insurance model of the industry under consideration. The request to change the current model escalated due to the events of the first half of the 2020, namely due to the COVID-19 pandemic, the managerial, financial and other solutions that followed its development in health care and other spheres of the society. In connection with the discussion in the expert and political circles of the state model of national health care, the author discusses the question concerning possible principles (fundamentals) of the legal regulation of the health care. The author proposes the following principles: the principle of legality; the principle of sectoral planning; the principle of information openness (transparency); the principle of equality of citizens’ rights to medical care in state health-care organizations; the principle of ensuring free medical care in state health organizations; the principle of inadmissibility of charging citizens for medical care provided in State health organizations; the principle of referring public health as a factor to ensuring national security and other types of national security; the principle of ensuring access of citizens to medical care, medicines, medical devices, other means of medical use, medical technologies; the principle of continuity and phasing in the provision of medical care, and a number of other principles.

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Duan, Xian Bao, Zhi Peng Zhang, Hui Zhen He, and Bin Shan. "Development of Interatomic Potentials for FCC Metals Based on Lattice Inversion Method." Materials Science Forum 993 (May 2020): 1057–62. http://dx.doi.org/10.4028/www.scientific.net/msf.993.1057.

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Interatomic potential plays an important role in molecular dynamics simulation, which determines both the efficiency and accuracy of the simulations. Lattice inversion is a method which can be used to develop interatomic potential from first principle results directly. In present work, a robust potential model based on lattice inversion is proposed. Then the potential model is applied to develop interatomic potentials for eight common FCC metals. The cohesive energy curves calculated using first principle calculations can be well reproduced, which verifies the reliability of the developed potential. Additional physical properties, including equilibrium lattice constant and cohesive energy, elastic constants, are predicted and found reasonable agreement with corresponding first principle results.

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Zhang, Hong, Sean C. Smith, Shinkoh Nanbu, and Hiroki Nakamura. "First-Principle Study of Atomic Hydrogen Interaction with a Fluorinated Corannulene Radical." Australian Journal of Chemistry 63, no. 3 (2010): 371. http://dx.doi.org/10.1071/ch09442.

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In this work, we study fluorination effects on atomic hydrogen interactions with the fluorinated corannulene radical (C15H10F5), which was built as a model for a partially fluorinated nanotube (or fullerene). Complete active space self-consistent field and multi-reference configuration interaction methods are employed to calculate the potential energy surfaces for both ground and excited electronic states, and the R-matrix quantum dynamics method is used to investigate the atomic hydrogen transmission and reflection dynamics through the five-membered ring in the fluorinated corannulene radical, which includes resonance effects as well as non-adiabatic transitions between the ground and excited electronic states. We also investigate hydrogen adsorptions at two sites in the middle five-membered ring, namely, on top of a carbon atom and in the middle of a carbon–carbon bond. We found that on carbon-top site, the adsorption is almost barrierless, whereas in the middle bond site, there is a barrier to hydrogen adsorption.

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