• Title/Summary/Keyword: Compositional Effect

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Effect of thickness on properties of ZnO film prepared by direct current reactive magnetron sputtering method

  • Baek, C.S.;Kim, D.H.;Kim, H.H.;Lim, K.J.
    • Journal of Ceramic Processing Research
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    • v.13 no.spc2
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    • pp.403-406
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    • 2012
  • Effect of thickness on ZnO properties including the compositional ratio and crystallinity has been systematically investigated using a variety of characterization tools of x-ray diffraction, field emission scanning electron microscopy, x-ray fluorescence and x-ray photoelectron spectroscopy. Interestingly, it was observed that ZnO films below 80 nm in thickness were in oxygen deficiency, while the oxygen ratio was increased in the films above the thickness, although the compositional ratio of ZnO film was not linearly varied with increasing film thickness. Also, ZnO crystallinity, which is characterized by (002) diffraction pattern, was clearly improved with increasing film thickness. The properties of ZnO film with different sputtering time and the nature of direct current reactive sputtering process were discussed in terms of compositional ratio, especially oxygen ratio in ZnO film.

Prediction of Transition Temperature and Magnetocaloric Effects in Bulk Metallic Glasses with Ensemble Models (앙상블 기계학습 모델을 이용한 비정질 소재의 자기냉각 효과 및 전이온도 예측)

  • Chunghee Nam
    • Korean Journal of Materials Research
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    • v.34 no.7
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    • pp.363-369
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    • 2024
  • In this study, the magnetocaloric effect and transition temperature of bulk metallic glass, an amorphous material, were predicted through machine learning based on the composition features. From the Python module 'Matminer', 174 compositional features were obtained, and prediction performance was compared while reducing the composition features to prevent overfitting. After optimization using RandomForest, an ensemble model, changes in prediction performance were analyzed according to the number of compositional features. The R2 score was used as a performance metric in the regression prediction, and the best prediction performance was found using only 90 features predicting transition temperature, and 20 features predicting magnetocaloric effects. The most important feature when predicting magnetocaloric effects was the 'Fe' compositional ratio. The feature importance method provided by 'scikit-learn' was applied to sort compositional features. The feature importance method was found to be appropriate by comparing the prediction performance of the Fe-contained dataset with the full dataset.

Compositional Feature Selection and Its Effects on Bandgap Prediction by Machine Learning (기계학습을 이용한 밴드갭 예측과 소재의 조성기반 특성인자의 효과)

  • Chunghee Nam
    • Korean Journal of Materials Research
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    • v.33 no.4
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    • pp.164-174
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    • 2023
  • The bandgap characteristics of semiconductor materials are an important factor when utilizing semiconductor materials for various applications. In this study, based on data provided by AFLOW (Automatic-FLOW for Materials Discovery), the bandgap of a semiconductor material was predicted using only the material's compositional features. The compositional features were generated using the python module of 'Pymatgen' and 'Matminer'. Pearson's correlation coefficients (PCC) between the compositional features were calculated and those with a correlation coefficient value larger than 0.95 were removed in order to avoid overfitting. The bandgap prediction performance was compared using the metrics of R2 score and root-mean-squared error. By predicting the bandgap with randomforest and xgboost as representatives of the ensemble algorithm, it was found that xgboost gave better results after cross-validation and hyper-parameter tuning. To investigate the effect of compositional feature selection on the bandgap prediction of the machine learning model, the prediction performance was studied according to the number of features based on feature importance methods. It was found that there were no significant changes in prediction performance beyond the appropriate feature. Furthermore, artificial neural networks were employed to compare the prediction performance by adjusting the number of features guided by the PCC values, resulting in the best R2 score of 0.811. By comparing and analyzing the bandgap distribution and prediction performance according to the material group containing specific elements (F, N, Yb, Eu, Zn, B, Si, Ge, Fe Al), various information for material design was obtained.

Morphology and Properties of PP/PU Blends Prepared by Compositional Quenching (Compositional Quenching으로 제조한 PP/PU 블렌드의 모폴로지 및 물성)

  • Lim, Gyeong-Taek;Ju, Min-Hyuk;Kim, Do-Heyoung;Song, Ki-Chan;Kim, Su-Kyung
    • Elastomers and Composites
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    • v.36 no.3
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    • pp.177-187
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    • 2001
  • Polypropylene(PP)/polyurethane(PU) blends with reactive compatibilizers were prepared by the compositional quenching process. Maleic anhydride grafted PP(MPP) and hydroxyethyl maleimide grafted PP(HPP) were introduced as reactive compatibilizers. The formation of HPP and the reactions of compatibilizers with the PU components were confirmed by FT-IR spectroscopy. The morphology, tensile properties, thermal stability, and surface property were studied. The blends prepared by the compositional quenching showed better dispersed domain morphology than the melt blends. The PU domain size became more uniform and reduced in size with increasing the amount of compatibilizers. The blends with HPP showed sightly smaller domain sire than the blends with MPP. The blends with compatibilizers all showed improved tensile properties, surface property. and thermal stability due to the interfacial adhesion effect. The blends with MPP showed higher surface energy than the blends with HPP, but the latter showed better thermal stability compared to the former.

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Role of A phase Separating Element on the Plasticity of Amorphous Alloys : Experiment and Atomic Simulation Study (비정질 합금의 소성에 미치는 조성분리 원소의 역할 : 실험 및 전산모사 연구)

  • Park, Kyoung-Won;Lee, Chang-Myeon;Sa, In-Young;Lee, Byeong-Joo;Lee, Jae-Chul
    • Korean Journal of Materials Research
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    • v.19 no.2
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    • pp.79-84
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    • 2009
  • A series of experiments demonstrated that an addition of Ag into $(Cu_{0.5}Zr_{0.5})_{100-x}Ag_{x}$ amorphous alloys alters the plasticity of the alloys in a systematic manner. Energy dispersive x-ray spectroscopy (EDS) conducted on the $(Cu_{0.5}Zr_{0.5})_{100-x}Ag_{x}$ alloys exhibited the presence of compositional modulation, indicating that compositional separation had occurred. The presence of compositional modulation was also validated using a combined technique of molecular dynamics and Monte Carlo simulation. In this study, the effect of Ag on the compositional separation in $(Cu_{0.5}Zr_{0.5})_{100-x}Ag_{x}$ bulk amorphous alloys was investigated to understand the role played by the phase-separating element on the plasticity of the amorphous alloys.

The Effect of Alloy Microstructure on the Behavior of Pd and Pd-based Alloy towards H2

  • Lee, Hyun Kyu;Noh, Hak
    • Transactions of the Korean hydrogen and new energy society
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    • v.11 no.3
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    • pp.97-105
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    • 2000
  • The influence of different microstructures and compositional variations on hydrogen absorption by pure Pd, and $Pd_{0.9}Rh_{0.1}$ alloy has been examined from changes in the hydrogen isotherms. The dilute phase solubilities and the plateau pressures are affected by differences in microstructures and compositional variations but the hydrogen capacities at relatively high hydrogen pressures are not affected except for the alloy form which has some phase separation.

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Annealing Effect on Exchange Bias in NiFe/FeMn/CoFe Trilayer Thin Films

  • Kim, Ki-Yeon;Choi, Hyeok-Cheol;You, Chun-Yeol;Lee, Jeong-Soo
    • Journal of Magnetics
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    • v.13 no.3
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    • pp.97-101
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    • 2008
  • We investigated the exchange bias fields at the NiFe/FeMn and FeMn/CoFe interfaces in 18.9-nm NiFe/15.0-nm FeMn/17.6-nm CoFe trilayer thin films as the annealing temperature was varied from room temperature to $250^{\circ}C$ in a vacuum for 1 hour in a magnetic field of 150 Oe. Interestingly, magnetic hysteresis (M-H) measurements showed that NiFe/FeMn/CoFe trilayer thin films exhibited a completely contrasting variation of the exchange bias fields at both the NiFe/FeMn and FeMn/CoFe interfaces with annealing temperatures. High-angle X-ray diffraction (XRD) measurements indicated the absence of any discernible effect of thermal treatment on the NiFe(111) and FeMn(111) peaks. The compositional depth profile obtained from X-ray photoelectron spectroscopy (XPS) results presented the asymmetric compositional depth profiles of the Mn and Fe atoms throughout the FeMn layer. We contend that this asymmetric compositional depth profile and the preferential Mn diffusion into the NiFe layer, compared to that into the CoFe layer, are conclusive experimental evidence of the contrasting variation of the exchange bias fields at two interfaces having a common polycrystalline FeMn(111) layer.

Microbiome Study of Initial Gut Microbiota from Newborn Infants to Children Reveals that Diet Determines Its Compositional Development

  • Ku, Hye-Jin;Kim, You-Tae;Lee, Ju-Hoon
    • Journal of Microbiology and Biotechnology
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    • v.30 no.7
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    • pp.1067-1071
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    • 2020
  • To understand the formation of initial gut microbiota, three initial fecal samples were collected from two groups of two breast milk-fed (BM1) and seven formula milk-fed (FM1) infants, and the compositional changes in gut microbiota were determined using metagenomics. Compositional change analysis during week one showed that Bifidobacterium increased from the first to the third fecal samples in the BM1 group (1.3% to 35.1%), while Klebsiella and Serratia were detected in the third fecal sample of the FM1 group (4.4% and 34.2%, respectively), suggesting the beneficial effect of breast milk intake. To further understand the compositional changes during progression from infancy to childhood (i.e., from three weeks to five years of age), additional fecal samples were collected from four groups of two breast milk-fed infants (BM2), one formula milk-fed toddler (FM2), three weaning food-fed toddlers (WF), and three solid food-fed children (SF). Subsequent compositional change analysis and principal coordinates analysis (PCoA) revealed that the composition of the gut microbiota changed from an infant-like composition to an adult-like one in conjunction with dietary changes. Interestingly, overall gut microbiota composition analyses during the period of progression from infancy to childhood suggested increasing complexity of gut microbiota as well as emergence of a new species of bacteria capable of digesting complex carbohydrates in WF and SF groups, substantiating that diet type is a key factor in determining the composition of gut microbiota. Consequently, this study may be useful as a guide to understanding the development of initial gut microbiota based on diet.

The Comparative Study between the Effect of Herbal Formula in Schoolbook and the Effect deduced from Compositional Herbal Effects ("방제학"에 기재된 방제 효능과 본초 구성을 기반으로 도출된 효능의 비교 연구)

  • Park, Byoung-Sun;Kim, Eun-Ha;Lee, Sun-A;Lee, Byung-Wook
    • Journal of Korean Medical classics
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    • v.21 no.1
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    • pp.79-92
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    • 2008
  • Objective The analysis method based on the herbal formula's effects is a general tool, in traditional medicine. In effective applications of herbal formula, Korean herbal medicines traditionally used the classification methods based on the curative effects through the various compositions of herbal formulas. However' the effects of herbal formulas were not filed systemically in ancient literatures, and the standards to confirm their effects are not clear. Thus, it is not easy to classify herbal formulas according to the curative effects. Furthermore, there are no standards to estimate the effects of prescriptions frequently directed in clinic. In this study, we aimed to provide the methodology of classifying the curative effects of herbal formulas by calculating the combination of the effect of each compositional herb through the DB systems. Results : By comparing effects of herbal formula with those of compositional herbs, we found that about 25-50% of the herbal effects were included in herbal formula's effects. These results showed that the prospective estimation of herbal formula's effects may be possible through the DB systems filing herbal effects. To enhance the accuracy in explaining the herbal formula's effect, more studies are needed by giving prominence to major effects and by subtracting minor effects.

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Effect of Compositional Ratio of Additives on the Plating Properties in Environment-Friendly Electroless Plating Reaction (친환경 무전해 도금반응에서 첨가제의 조성비가 도금특성에 미치는 영향)

  • Chun, Kyung-Soo;Paik, Gwi-Chan
    • Journal of the Korea Academia-Industrial cooperation Society
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    • v.12 no.9
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    • pp.4015-4021
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    • 2011
  • The purpose of this study is to investigate the effect of compositional ratio of additives, such as potassium ferrocyanide, aminoacetic acid (=glycine) and 2,2'-dipyridyl, on the physical properties of copper layer deposited by environment-friendly electroless plating reaction. The highest plating rate of copper layer, $9.5mg{\cdot}cm^{-2}{\cdot}hr^{-1}$, was obtained at 20 mg/L of potassium ferrocyanide and 0.01 mol/L of aminoacetic acid, which coincided with the change in the hardness of the copper layer. In the additives used in this study, potassium ferrocyanide was considered to improve the plating rate, aminoacetic acid increased the hardness value of deposited films and 2,2'-dipyridyl enhanced the brightness of copper deposited films.