• Title/Summary/Keyword: Transition Model

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Density Functional Theoretical Study on the Hydricities of Transition Metal Hydride Complexes in Water

  • Kang, Suk-Bok;Cho, Young-Seuk;Hwang, Sun-Gu
    • Bulletin of the Korean Chemical Society
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    • v.30 no.12
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    • pp.2927-2929
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    • 2009
  • The hydricities of d$^6$ metal hydride complexes in aqueous solution were calculated by using density functional theoretical (DFT) calculations coupled with a Poisson-Boltzmann (PB) solvent model. Hydricity describes the hydride donor ability of the metal-hydrogen bond, which assists in the study of the mechanism of many catalytic processes and chemical reactions that involve transition metal hydrides. The calculation scheme produced hydricity values that were in good agreement with experimental estimation. The inclusion of a water molecule as a weakly bound ligand to five-coordinate metal complexes gave an improved correlation result.

The LS$\rightarrow$HS Transition of Cobalt(III) in an Oxygen Lattice with the $K_2NiF_4$-Type Structure: Correlations with the Chemical Bonding Environment of the $(CoO_6)$ Octahedron Along the c-axis

  • Byeon, Song-Ho;Demazeau, Gerard
    • Bulletin of the Korean Chemical Society
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    • v.15 no.11
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    • pp.949-953
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    • 1994
  • In oxides characterized by the $K_2NiF_4-type$ structure, the low-spin${\to}$high-spin transition of trivalent cobalt ion was studied in function of the nature of competing bonds in the perovskite-plane and along the c-axis. Using Slichter and Drickamer's model the calculated values of parameters characterizing such a transition are correlated with the covalency of competing bonds along the c-axis of the $K_2NiF_4$-structure and the local structural distortion of the $(CoO_6)$ octahedron.

Shot Boundary Detection Model using Knowledge Distillation (지식의 증류기법을 이용한 샷 경계 검출 모델)

  • Park, Sung Min;Yoon, Ui Nyoung;Jo, Geun-Sik
    • Proceedings of the Korean Society of Broadcast Engineers Conference
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    • 2019.06a
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    • pp.29-31
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    • 2019
  • 샷 경계 검출(Shot Boundary Detection)은 영상 콘텐츠 분석을 위한 필수적인 기술이며, 다양한 방식으로 편집된 영상의 샷 경계를 정확하게 검출하기 위한 연구가 지속되어 왔다. 그러나 기존에 연구들은 고정된 샷 경계 검출 알고리즘이나 매뉴얼한 작업과 같이 학습이 불가능한 과정이 포함되어 있어 성능 개선에 한계가 있었다. 본 논문에서는 이러한 과정을 제거한 End-to-End 모델을 제안한다. 제안하는 모델은 시공간 정보 추출성능을 높이기 위해 행동 인식 데이터셋을 이용한 전이학습을 사용하고, 샷 경계 검출 성능을 높이기 위해 개선된 지식의 증류기법(Knowledge Distillation)을 결합한다. 제안하는 모델은 ClipShots 데이터셋에서 DeepSBD 에 비해 cut transition 과 gradual transition 이 각각 5.4%, 41.29% 높은 성능을 보였고, DSM 과의 비교에서 cut transition 의 정확도가 1.3% 더 높은 결과를 보였다.

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Low-energy band structure very sensitive to the interlayer distance in Bernal-stacked tetralayer graphene

  • Lee, Kyu Won;Lee, Cheol Eui
    • Current Applied Physics
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    • v.18 no.11
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    • pp.1393-1398
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    • 2018
  • We have investigated Bernal-stacked tetralayer graphene as a function of interlayer distance and perpendicular electric field by using density functional theory calculations. The low-energy band structure was found to be very sensitive to the interlayer distance, undergoing a metal-insulator transition. It can be attributed to the nearest-layer coupling that is more sensitive to the interlayer distance than are the next-nearest-layer couplings. Under a perpendicular electric field above a critical field, six electric-field-induced Dirac cones with mass gaps predicted in tight-binding models were confirmed, however, our density functional theory calculations demonstrate a phase transition to a quantum valley Hall insulator, contrasting to the tight-binding model prediction of an ordinary insulator.

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.

Reliability Estimation of Door Hinge for Rome Appliances (가전제품용 경첩의 신뢰성 추정)

  • Kim Jin Woo;Shin Jae Chul;Kim Myung Soo;Moon Ji Seob
    • Transactions of the Korean Society of Mechanical Engineers A
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    • v.29 no.5 s.236
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    • pp.689-697
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    • 2005
  • This paper presents the reliability estimation of door hinge for home appliances, which consists of bushing and shaft. The predominant failure mechanism of bushing made of polyoxymethylene(POM) is brittle fracture due to decrease of strength caused by voids existing, and that of shaft made of acrylonitrile-butadiene-styrene(ABS) is creep due to plastic deformation caused by excessive temperature and lowering of glass transition temperature by absorbed moisture. Since the brittle fracture of bushing is overstress failure mechanism, the load-strength interference model is used to estimate the failure rate of it along with failure analysis. By the way, the creep of shaft is wearout failure mechanism, and an accelerated life test is then planned and implemented to estimate its lifetime. Through the technical review about failure mechanism, temperature and humidity are selected as accelerating variables. Assuming Weibull lifetime distribution and Eyring model, the life-stress relationship and acceleration factor, $B_{10}$ life and its lower bound with $90\%$ confidence at worst case use condition are estimated by analyzing the accelerated life test data.

Weighted Markov Model for Recommending Personalized Broadcasting Contents (개인화된 방송 컨텐츠 추천을 위한 가중치 적용 Markov 모델)

  • Park, Sung-Joon;Hong, Jong-Kyu;Kang, Sang-Gil;Kim, Young-Kuk
    • Journal of KIISE:Computing Practices and Letters
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    • v.12 no.5
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    • pp.326-338
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    • 2006
  • In this paper, we propose the weighted Markov model for recommending the users' prefered contents in the environment with considering the users' transition of their content consumption mind according to the kind of contents providing in time. In general, TV viewers have an intention to consume again the preferred contents consumed in recent by them. In order to take into the consideration, we modify the preference transition matrix by providing weights to the consecutively consumed contents for recommending the users' preferred contents. We applied the proposed model to the recommendation of TV viewer's genre preference. The experimental result shows that our method is more efficient than the typical methods.

Compositional Safety Analysis for Embedded Systems using the FSM Behavioral Equivalence Algorithm (FSM의 행위 일치 알고리즘을 이용한 임베디드 시스템의 합성적 안전성 분석 기법)

  • Lee, Woo-Jin
    • The KIPS Transactions:PartD
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    • v.14D no.6
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    • pp.633-640
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    • 2007
  • As the embedded systems closely related with our living become complex by interoperating each other via internet, the safety issue of embedded systems begins to appear For checking safety properties of the system interactions, it is necessary to describe the system behaviors in formal methods and provide a systematic safety analysis technique. In this research, the behaviors of an embedded system are described by Labeled Transition Systems(LTS) and its safety properties are checked on the system model. For enhancing the existing compositional safety analysis technique, we perform the safety analysis techniques by checking the behavioral equivalence of the reduced model and a property model after reducing the system model in the viewpoint of the property.

Particle Filter Localization Using Noisy Models (잡음 모델을 이용한 파티클 필터 측위)

  • Kim, In-Cheol;Kim, Seung-Yeon;Kim, Hye-Suk
    • The KIPS Transactions:PartB
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    • v.19B no.1
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    • pp.27-30
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    • 2012
  • One of the most fundamental functions required for an intelligent agent is to estimate its current position based upon uncertain sensor data. In this paper, we explain the implementation of a robot localization system using Particle filters, which are the most effective one of the probabilistic localization methods, and then present the result of experiments for evaluating the performance of our system. Through conducting experiments to compare the effect of the noise-free model with that of the noisy state transition model considering inherent errors of robot actions, we show that it can help improve the performance of the Particle filter localization to apply a state transition model closely approximating the uncertainty of real robot actions.

NUMERICAL METHOD FOR EVALUATION OF HYDROGEN FLAME ACCELERATION IN A COMPARTMENT OF A NUCLEAR POWER PLANT (원자력발전소 격실에서의 수소화염 가속에 대한 수치해석 연구)

  • Kim, Jong-Tae;Kim, Sang-Baik;Kim, Hoo-Joong
    • Journal of computational fluids engineering
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    • v.15 no.4
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    • pp.67-75
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    • 2010
  • Hydrogen safety is one of important issues for future public usage of hydrogen. When hydrogen is released in a compartment, the occurrence of detonation must be prohibited. In order to evaluate the possibility of DDT (Deflagration to Detonation Transition) in the compartment with the hydrogen release, sigma-lambda criteria which were developed from experimental data are commonly used. But they give a little conservative results because they do not consider the detailed geometrical effect of the compartment. This is the main reason of the need to mechanistic combustion model for evaluation of hydrogen flame propagation and acceleration. In this study, sigma-lambda criteria and combustion model were systematically applied to evaluate a possibility of DDT in a IRWST compartment of APR1400 nuclear power plant during a hypothetical accident. A combustion model in an open source CFD code OpenFOAM has been applied for analyses of hydrogen flame propagation. The model was validated by evaluating the flame acceleration tests conducted in FLAME facility. And it was applied to evaluate the characteristics of a hydrogen flame propagation in the IRWST compartment of APR1400.