• Title/Summary/Keyword: Physical modeling synthesis

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Ni0.5Zn0.4Cu0.1Fe2O4 Complex Ferrite Nanoparticles Synthesized by Chemical Coprecipitation Predicted by Thermodynamic Modeling

  • Kang, Bo-Sun;Park, Joo-Seok;Ahn, Jong-Pil;Kim, Kwang-Hyun;Tae, Ki-Sik;Lee, Hyun-Ju;Kim, Do-Kyung
    • Journal of the Korean Ceramic Society
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    • v.50 no.3
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    • pp.231-237
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    • 2013
  • Thermodynamic modeling of the $Ni_{0.5}Zn_{0.4}Cu_{0.1}Fe_2O_4$ complex ferrite system has been adopted as a rational approach to establish routes to better synthesis conditions for pure phase $Ni_{0.5}Zn_{0.4}Cu_{0.1}Fe_2O_4$ complex ferrite. Quantitative analysis of the different reaction equilibria involved in the precipitation of $Ni_{0.5}Zn_{0.4}Cu_{0.1}Fe_2O_4$ from aqueous solutions has been used to determine the optimum synthesis conditions. The spinel ferrites, such as magnetite and substitutes for magnetite, with the general formula $MFe_2O_4$, where M= $Fe^{2+}$, $Co^{2+}$, and $Ni^{2+}$ are prepared by coprecipitation of $Fe^{3+}$ and $M^{2+}$ ions with a stoichiometry of $M^{2+}/Fe^{3+}$= 0.5. The average particle size of the as synthesized $Ni_{0.5}Zn_{0.4}Cu_{0.1}Fe_2O_4$, measured by transmission electron microscopy (TEM), is 14.2 nm, with a standard deviation of 3.5 nm the size when calculated using X-ray diffraction (XRD) is 16 nm. When $Ni_{0.5}Zn_{0.4}Cu_{0.1}Fe_2O_4$ ferrite is annealed at elevated temperature, larger grains are formed by the necking and mass transport between the $Ni_{0.5}Zn_{0.4}Cu_{0.1}Fe_2O_4$ ferrite nanoparticles. Thus, the grain sizes of the $Ni_{0.5}Zn_{0.4}Cu_{0.1}Fe_2O_4$ gradually increase as heat treatment temperature increases. Based on the results of Thermogravimetric Analysis (TGA) and Differential Scanning Calorimeter (DSC) analysis, it is found that the hydroxyl groups on the surface of the as synthesized ferrite nanoparticles finally decompose to $Ni_{0.5}Zn_{0.4}Cu_{0.1}Fe_2O_4$ crystal with heat treatment. The results of XRD and TEM confirmed the nanoscale dimensions and spinel structure of the samples.

Role of e-Learning Environments in Training Applicants for Higher Education in the Realities of Large-Scale Military Aggression

  • Nataliia Bakhmat;Maryna Burenko;Volodymyr Krasnov;Larysa Olianych;Dmytro Balashov;Svitlana Liulchak
    • International Journal of Computer Science & Network Security
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    • v.23 no.12
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    • pp.167-174
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    • 2023
  • Electronic educational environments in the conditions of quarantine restrictions of COVID-19 have become a common phenomenon for the organization of distance educational activities. Under the conditions of Russian aggression, Ukrainian proof of their use is unique. The purpose of the article is to analyze the role of electronic educational environments in the process of training applicants for higher education in Ukraine in the realities of a large-scale war. General scientific methods (analysis, synthesis, deduction, and induction) and special pedagogical prognostic methods, modeling, and SWOT analysis methods were used. In the results, the general properties of the Internet educational platforms common in Ukraine, the peculiarities of using the Moodle and Prometheus platforms, and an approximate model of the electronic learning environment were discussed. The reasons for the popularity of Moodle among Ukrainian universities are analyzed, but vulnerable elements related to security are emphasized. It was also determined that the high cost of Prometheus software and less functionality made this learning environment less relevant. The conclusions state that the military actions drew the attention of universities in Ukraine to the formation of their own educational platforms. This is especially relevant for technical and military institutions of higher education.

Effect of BaF2 as a Flux in Solid State Synthesis of Y3Al5O12:Ce3+ (고상법을 이용한 Y3Al5O12:Ce3+의 제조에서 BaF2가 미치는 영향)

  • Won, Hyung-Seok;Hayk, Nersisyan;Won, Chang-Whan;Won, Hyung-Il
    • Korean Journal of Materials Research
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    • v.21 no.11
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    • pp.604-610
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    • 2011
  • The effect of $BaF_2$ flux in $Y_3Al_5O_{12}:Ce^{3+}$(YAG:Ce) formation was investigated. Phase transformation of $Y_3Al_5O_{12}$(YAG) was characterized by using XRD, SEM, and TEM-EDS, and it was revealed that the sequential formation of the $Y_4Al_2O_9$(YAM), $YAlO_3$(YAP) and $Y_3Al_5O_{12}$(YAG) in the temperature range of 1000-1500$^{\circ}C$. Single phase of YAG was revealed from 1300$^{\circ}C$. In order to find out the effect of $BaF_2$ flux, three modeling experiments between starting materials (1.5$Al_2O_3$-2.5$Y_2O_3$, $Y_2O_3$-$BaF_2$, and $Al_2O_3$-$BaF_2$) were done. These modeling experiments showed that the nucleation process occurs via the dissolution-precipitation mechanism, whereas the grain growth process is controlled via the liquid-phase diffusion route. YAG:Ce phosphor particles prepared using a proposed technique exhibit a spherical shape, high crystallinity, and an emission intensity. According to the experimental results conducted in this investigation, 5% of $BaF_2$ was the best concentration for physical, chemical and optical properties of $Y_3Al_5O_{12}:Ce^{3+}$(YAG:Ce) that is approximately 10-15% greater than that of commercial phosphor powder.

THE SYNTHESIS, PHYSICAL PROPERTY, AND THE BIOLOGICAL ACTIVITY OF NOVEL NEO-CERAMIDES

  • Kim, Duck-Hee;Lee, Bo-Seaub;Koo, Myeong-Soo;Kim, Hyun-Jun;Lee, Hae-Kwang;Park, Moon-Jae;Lee, Ok-Sub
    • Journal of the Society of Cosmetic Scientists of Korea
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    • v.24 no.3
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    • pp.6-16
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    • 1998
  • Ceramides are currently emerging as the major skin care ingredients due to !heir barrier properties in the stratum corneum of the human skin. Thus, major cosmetic companies have developed synthetic ceramide analogs for their own use. In this study, several ceramide mimic compounds , new skin barrier lipids, were designed and synthesized, and their physical and biological properties were investigated to evaluate their skin care capability. Several structures were designed from the variation of hydrophobic alkyl chain and hydrophilic moiety by the use of molecular modeling software. The selected targets were synthesized, and their properties and activities were studied as the pure form, in the emulsion, or in the lamellar mixture containing cholesterol and fatty acid. Some compounds, such as 1,3-bis(N-(2-hydroxyethyl)-palmitoylamino)-2-hydroxypropane, enhanced the restoration of skin barrier damaged by SDS(sodium dodecyl sulfate), and by acetone treatment. The rate of restoration was comparable to that of natural ceramides. The synthesized compounds alleviated SDS induced skin irritation and facilitated lamellar phase liquid crystal formation. The treatment of 1,3-Dis(N-(2-hydroxyethyl)-palmitoylam ino)-2-hyd roxypropane on the acetone damaged skin revealed that the compound promoted the recovery of intercellular lipid lamellar structure of stratum corneum layer. The replacement of palmitoyl groups of the compound with shorter alkyl chain gave lower emulsion viscosity and liquid crystal density, suggesting easier formulation and poorer barrier activity. Most of the synthesized compounds were non-irritable in various toxicological tests proving that they can be safely introduced to the skin care formulations.

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Exploration of Optimal Multi-Core Processor Architecture for Physical Modeling of Plucked-String Instruments (현악기의 물리적 모델링을 위한 최적의 멀티코어 프로세서 아키텍처 탐색)

  • Kang, Myeong-Su;Choi, Ji-Won;Kim, Yong-Min;Kim, Jong-Myon
    • The Journal of the Acoustical Society of Korea
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    • v.30 no.5
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    • pp.281-294
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    • 2011
  • Physics-based sound synthesis usually requires high computational costs and this results in a restriction of its use in real-time applications. This motivates us to implement the sound synthesis algorithm of plucked-string instruments using multi-core processor architectures and determine the optimal processing element (PE) configuration for the target instruments. To determine the optimal PE configuration, we evaluate the impacts of a sample-per-processing element (SPE) ratio that is defined as the amount of sample data directly mapped to each PE on system performance and both area and energy efficiencies using architectural and workload simulations. For the acoustic guitar, the highest area and energy efficiencies are achieved at a SPE ratio of 5,513 and 2,756, respectively, for the synthesis of musical sounds sampled at 44.1 kHz. In the case of the classical guitar, the maximum area and energy efficiencies are achieved at a SPE ratio of 22,050 and 5,513, respectively. In addition, the synthetic sounds were very similar to original sounds in their spectra. Furthermore, we conducted MUSHRA subjective listening test with ten subjects including nine graduate students and one professor from the University of Ulsan, and the evaluation of the synthetic sounds was excellent.

Molecular gas and star formation in early-type galaxies

  • Bureau, Martin
    • The Bulletin of The Korean Astronomical Society
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    • v.36 no.2
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    • pp.65-65
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    • 2011
  • Early-type galaxies represent the end point of galaxy evolution and, despite pervasive residual star formation, are generally considered "red and dead", that is composed exclusively of old stars with no star formation. Here, their molecular gas content is constrained and discussed in relation to their evolution, supporting the continuing importance of minor mergers and/or cold gas accretion. First, as part of the Atlas3D survey, the first complete, large, volume-limited survey of CO in normal early-type galaxies is presented. At least of 23% of local early-types possess a substantial amount of molecular gas, the necessary ingredient for star formation, independent of mass and environment but dependent on the specific stellar angular momentum. Second, using CO synthesis imaging, the extent of the molecular gas is constrained and a variety of morphologies is revealed. The kinematics of the molecular gas and stars are often misaligned, implying an external gas origin in over a third of all systems, more than half in the field, while external gas accretion must be shot down in clusters. Third, many objects appear to be in the process of forming regular kpc-size decoupled disks, and a star formation sequence can be sketched by piecing together multi-wavelength information on the molecular gas, current star formation, and young stars. Fourth, early-type galaxies do not seem to systematically obey all our usual prejudices regarding star formation (e.g. Schmidt-Kennicutt law, far infrared-radio continuum correlation), suggesting a greater diversity in star formation processes than observed in disk galaxies and the possibility of "morphological quenching". Lastly, a first step toward constraining the physical properties of the molecular gas is taken, by modeling the line ratios of density- and opacity-sensitive molecules in a few objects. Taken together, these observations argue for the continuing importance of (minor) mergers and cold gas accretion in local early-types, and they provide a much greater understanding of the gas cycle in the galaxies harbouring most of the stellar mass. In the future, better dust masses and dust-to-gas mass ratios from Herschel should allow to place entirely independent constraints on the gas supply, while spatially-resolved high-density molecular gas tracers observed with ALMA will probe the interstellar medium and star formation laws locally in a regime entirely different from that normally probed in spiral galaxies.

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Explainable Artificial Intelligence (XAI) Surrogate Models for Chemical Process Design and Analysis (화학 공정 설계 및 분석을 위한 설명 가능한 인공지능 대안 모델)

  • Yuna Ko;Jonggeol Na
    • Korean Chemical Engineering Research
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    • v.61 no.4
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    • pp.542-549
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    • 2023
  • Since the growing interest in surrogate modeling, there has been continuous research aimed at simulating nonlinear chemical processes using data-driven machine learning. However, the opaque nature of machine learning models, which limits their interpretability, poses a challenge for their practical application in industry. Therefore, this study aims to analyze chemical processes using Explainable Artificial Intelligence (XAI), a concept that improves interpretability while ensuring model accuracy. While conventional sensitivity analysis of chemical processes has been limited to calculating and ranking the sensitivity indices of variables, we propose a methodology that utilizes XAI to not only perform global and local sensitivity analysis, but also examine the interactions among variables to gain physical insights from the data. For the ammonia synthesis process, which is the target process of the case study, we set the temperature of the preheater leading to the first reactor and the split ratio of the cold shot to the three reactors as process variables. By integrating Matlab and Aspen Plus, we obtained data on ammonia production and the maximum temperatures of the three reactors while systematically varying the process variables. We then trained tree-based models and performed sensitivity analysis using the SHAP technique, one of the XAI methods, on the most accurate model. The global sensitivity analysis showed that the preheater temperature had the greatest effect, and the local sensitivity analysis provided insights for defining the ranges of process variables to improve productivity and prevent overheating. By constructing alternative models for chemical processes and using XAI for sensitivity analysis, this work contributes to providing both quantitative and qualitative feedback for process optimization.