• Title/Summary/Keyword: self-interaction error

Search Result 25, Processing Time 0.031 seconds

Fluorine-Induced Local Magnetic Moment in Graphene: A hybrid DFT study

  • Kim, Hyeon-Jung;Jo, Jun-Hyeong
    • Proceedings of the Korean Vacuum Society Conference
    • /
    • 2013.08a
    • /
    • pp.127.1-127.1
    • /
    • 2013
  • Recent experimental evidence that fluorinated graphene creates local magnetic moments around F adatoms has not been supported by semilocal density-functional theory (DFT) calculations where the adsorption of an F adatom induces no magnetic moment in graphene. Here, we show that such an incorrect prediction of the nonmagnetic ground state is due to the self-interaction error inherent in semilocal exchange-correlation functionals. The present hybrid DFT calculation for an F adatom on graphene predicts not only a spin-polarized ground state with a spin moment of ${\sim}1{\mu}_B$, but also a long-range spin polarization caused by the bipartite nature of the graphene lattice as well as the induced spin polarization of the graphene states. The results provide support for the experimental observations of local magnetic moments in fluorinated graphene.

  • PDF

Dissociation Curves of Transition Metal Compounds

  • Go, Dong-Hyeok;Song, Su-Hwan;Sim, Eun-Ji
    • Proceeding of EDISON Challenge
    • /
    • 2017.03a
    • /
    • pp.11-15
    • /
    • 2017
  • We present a study of transition metal compounds using density functional theory (DFT), and density-corrected density functional theory(DC-DFT). By replacing the self-consistent density with that obtained from Hartree-Fock calculation, i.e., HF-DFT, the abnormality driven by self-interaction error is removed in several important cases. We discuss when and how HF-DFT works by examining 3d orbital dimers using approximate functionals and by comparing the results from self-consistent-DFT and HF-DFT with experimental values.

  • PDF

The Use of Ontology in Knowledge Intensive Tasks: Ontology Driven Retrieval of Use Ca

  • Kim, Jongwoo;Conesa, Jordi;Ramesh, Balasubramaniam
    • Asia pacific journal of information systems
    • /
    • v.25 no.1
    • /
    • pp.25-60
    • /
    • 2015
  • Use cases are commonly used to represent customer requirements during systems development. In a large software development environment, finding relevant use cases from a library of past or related projects is a complex, error-prone and expensive task. This study proposes an ontological methodology to support use case retrieval in an interactive manner. The architecture of a prototype system that implements this methodology is presented. To evaluate whether the proposed approach can provide satisfactory results to users, this study develops a research model and hypotheses based on interaction theory. These hypotheses are empirically tested using a laboratory experiment which controls information filtering and perceived interaction. Our study suggests that a system which interacts with a user intelligently reduces cognitive load and increases self-efficacy and satisfaction.

Effects of Conversational Agent's Self-Repair Strategy On User Experience - Focused on Task Criticality and Conversational Error (대화형 에이전트의 자기발화수정 전략이 사용자 경험에 미치는 영향 - 과업 중요도와 대화 오류 여부를 중심으로)

  • Kim, Hwanju;Kim, Jung-Yong;Kang, Hyunmin
    • Journal of Digital Convergence
    • /
    • v.20 no.2
    • /
    • pp.251-260
    • /
    • 2022
  • Despite the development of technology and the increase in the spread of smart speakers, user satisfaction keeps decreasing due to conversational errors. This study aims to examine the effect of the self-repair strategy on user experience in the context of conversational agents of smart speakers. Scenarios were designed based on error situations, and participants were divided into two groups by task criticality. The results revealed that the agent's self-repair strategy has a negative effect on trust and perceived ease of use compared with performance without error. It also influenced adoption intention through interaction with task criticality. This study is significant in that it empirically investigated the effects of the self-repair strategy and the user experience factors related to the actual acceptance of the self-repair strategy.

Natural User Interface with Self-righting Feature using Gravity (중력에 기반한 자연스러운 사용자 인터페이스)

  • Kim, Seung-Chan;Lim, Jong-Gwan;Bianchi, Andrea;Koo, Seong-Yong;Kwon, Dong-Soo
    • 한국HCI학회:학술대회논문집
    • /
    • 2009.02a
    • /
    • pp.384-389
    • /
    • 2009
  • In general, gestures can be utilized in human-computer interaction area. Even though the acceleration information is most widely used for the detection of user’s intention, it is hard to use the information under the condition of zero or small variations of gesture velocity due to the inherent characteristics of the accelerometer. In this paper, a natural interaction method which does not require excessive gesture acceleration will be described. Taking advantages of the gravity, the system can generate various types of signals. Also, many problems such as initialization and draft error can be solved using restorative uprighting force of the system.

  • PDF

Simulation of Vehicle-Track-Bridge Dynamic Interaction by Nonlinear Hertzian Contact Spring and Displacement Constraint Equations (비선형 헤르쯔 접촉스프링과 변위제한조건식의 적용에 의한 차량-궤도-교량 동적상호작용 수치해석기법)

  • Chung Keun-Young;Lee Sung-Uk;Min Kyung-Ju
    • Proceedings of the KSR Conference
    • /
    • 2005.11a
    • /
    • pp.191-196
    • /
    • 2005
  • In this study, to describe vehicle-track-bridge dynamic interaction phenomena with 1/4 vehicle model, nonlinear Hertzian contact spring and nonlinear contact damper are introduced. In this approach external loads acting on 1/4 vehicle model are self weight of vehicle and geometry information of running surface. The constraint equation on contact surface is implemented by Penalty method. Also, to improve the numerical stability and to maintain accuracy of solution, the artificial damper and the reaction from constraint violation are introduced. A nonlinear time integration method, in this study, Newmark method is adopted for both equations of vehicles and structure. And to reduce the error caused by inadequate time step size, adaptive time-stepping technique is partially introduced. As the nonlinear Hertzian contact spring has no resistance to tensile force, the bouncing phenomena of wheelset can be described. Thus, it is expected that more versatile dynamic interaction phenomena can be described by this approach and it can be applied to various railway dynamic problems.

  • PDF

Dissociation Curves of diatomic molecules and anions: A DC-DFT Study (밀도교정 밀도범함수를 이용한 이원자분자의 해리곡선 연구)

  • Go, Dong-Hyeok;Park, Han-Sol;Kim, Min-Cheol;Sim, Eun-Ji
    • Proceeding of EDISON Challenge
    • /
    • 2014.03a
    • /
    • pp.115-125
    • /
    • 2014
  • We investigate dissociation of diatomic molecules and anions using density functional theory (DFT) and density-corrected density functional theory (DC-DFT). We scan the potential energy curve of CH, NH and NO neutral molecule and its anion with both DFT and DC-DFT (in form of Hartree-Fock DFT, HF-DFT) using various functionals. Using CCSD(T) results as reference, we perform the error decomposition scheme recently proposed by Kim et al. The results show while most neutrals are $functio{\acute{n}}al$ error $domi{\bar{n}}ating$ normal calculations, $CH^-$ and $NO^-$ anions are density-driven error dominating abnormal calculations. In case of $NH^-$, traditional DFT goes to a wrong dissociation limit indicating abnormality, but both HF-DFT and CCSD(T) results need further investigation due to the kinks on the curve.

  • PDF

A coupled finite element/meshfreemoving boundary method for self-piercing riveting simulation

  • Cai, Wayne;Wang, Hui-Ping;Wu, C.T.
    • Interaction and multiscale mechanics
    • /
    • v.6 no.2
    • /
    • pp.257-270
    • /
    • 2013
  • The use of lightweight materials has been steadily increasing in the automotive industry, and presents new challenges to material joining. Among many joining processes, self-piercing riveting (SPR) is particularly promising for joining lightweight materials (such as aluminum alloys) and dissimilar materials (such as steel to Al, and metal to polymer). However, to establish a process window for optimal joint performance, it often requires a long trial-and-error testing of the SPR process. This is because current state of the art in numerical analysis still cannot effectively resolve the problems of severe material distortion and separation in the SPR simulation. This paper presents a coupled meshfree/finite element with a moving boundary algorithm to overcome these numerical difficulties. The simulation results are compared with physical measurements to demonstrate the effectiveness of the present method.

Effect of Anthropomorphic Chatbot's Self-disclosure and Emotional Expression on User Experience - Focused on Conversational Error in Financial Service (의인화된 챗봇의 자기노출과 감정표현이 사용자 경험에 미치는 영향 - 금융서비스에서의 대화 오류 상황을 중심으로)

  • Kim, Hwanju;Kim, Jiyeon;Choi, Junho
    • The Journal of the Convergence on Culture Technology
    • /
    • v.8 no.4
    • /
    • pp.445-455
    • /
    • 2022
  • Financial service chatbots are hindering user experience with conversational errors and machine-like responses. This study aims to examine the effect of self-disclosure and emotional expression of an anthropomorphic chatbot on user experience before conversation errors occur in financial services. In financial inquiries, scenarios were designed based on self-disclosure type (positive vs. negative) and emotional expression level(high confident vs. low confident), and online experiments were conducted. The result revealed that when anthropomorphic chatbot provided self-disclosure and emotional expression, the main effect has been shown on trust, annoyance, service recovery, and intention to continuous use. In addition, interaction effects were significant in trust and annoyance. In conclusion, this paper demonstrated that anthropomorphic chatbot's positive self-disclosure and confident emotional expression influenced trust and annoyance.

Actor and Partner Effect of Self Efficacy, Marital Adjustment, and Family Support on Yangsaeng in Infertile Couples (자기효능감, 부부적응도 및 가족 지지가 난임부부의 양생에 미치는 자기효과와 상대방효과)

  • Kim, Ju Hee;Park, Hanjong;Shin, Hye Sook;Han, Su Kyung
    • Journal of East-West Nursing Research
    • /
    • v.24 no.1
    • /
    • pp.44-51
    • /
    • 2018
  • Purpose: The purpose of this study was to examine the actor and partner effects of self efficacy, marital adjustment and family support on Yangseang in infertile couples using the actor-partner interdependence model. Methods: The participants were 108 infertile couples. Data were collected using the Yangsaeng Scale, Infertility Self Efficacy Scale, Revised Dyadic Adjustment Scale, and Perceived Social Support Scale from March to April in 2016. The Actor-Partner Interdependence Model was used to analyze the actor and partner effects of self-efficacy, marital adjustment and family support on Yangsaeng. Results: The fit indices for the model were Comparative Fit Index (CFI) = 0.99, Normed Fit Index (NFI) = 0.99, Tucker-Lewis Index (TLI) = 0.90, and Root Mean Square Error of Approximation (RMSEA) = 0.01, which met the criteria. We found that only self efficacy had an actor effect on Yangsaeng. Marital adjustment and family support of infertile husbands had an actor effect on the Yangsaeng. In addition, marital adjustment showed an interaction effect. Conclusions: The findings of this study indicate that the level of Yangseang in infertile couples was positively associated with the levels of self efficacy and martial adjustment. Partner effects may be hidden due to much stronger actor effects on Yangseang.