• Title/Summary/Keyword: 제1원리 계산

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Calculation on Electronic State of $MnO_2$ Oxide Semiconductor with other initial spin conditions by First Principle Molecular Orbital Method (제1원리 분자궤도계산법에 의한 초기 spin 조건에 따른 $MnO_2$ 반도체의 전자상태 변화 계산)

  • Lee, Dong-Yoon;Kim, Bong-Seo;Song, Jae-Sung;Kim, Hyun-Sik
    • Proceedings of the Korean Institute of Electrical and Electronic Material Engineers Conference
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    • 2003.11a
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    • pp.148-151
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    • 2003
  • The spin density of ${\beta}-MnO_2$ structure was theoretically investigated by $DV-X_{\alpha}$ (the discrete variation $X{\alpha}$) method, which is a sort of the first principle molecular orbital method using Hatre-Fock-Slater approximation. The used cluster model was $[Mn_{14}O_{56}]^{-52}$. The ${\beta}-MnO_2$ is a paramagnetic oxide semiconductor material having the energy band gap of 0.18 eV and an 3 loan-pair electrons in the 3d orbital of an cation. This material exhibits spin-only magnetism and has the magnetic ordering temperature of 94 K. Below this temperature its magnetism appears as antiferromagnetism. The calculations of electronic state showed that if the initial spin condition of input parameters changed, the magnetic state changed from paramagnetic to antiferromagnetic. When d orbital of all Mn atoms in cluster had same initial spin state as only up spin, paramagnetic spin density distribution appeared by the calculation. On the other way, d orbital had alternately changed spin state along special direction the resulted spin distribution showed antiferromagnetism.

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Prediction of Spectral Phonon Mean Free Path Contribution to Thermal Conduction in Silicon Using Phonon Kinetic Theory (포논 기체 운동론을 이용한 실리콘 내 포논 평균자유행로 스펙트럼 열전도율 기여도 예측)

  • Jin, Jae Sik
    • Transactions of the Korean Society of Mechanical Engineers B
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    • v.41 no.5
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    • pp.341-346
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    • 2017
  • Knowing the mean free paths (MFPs) of thermal phonons is an essential step in performing heat transfer analysis for nanomaterials, and in determining the optimum design for tailoring the heat transfer characteristics of nanomaterials. In this study, we present a method that can be used to calculate accurately the phonon MFP spectra of nanostructures based on simple phonon kinetic theory. Here, the kinetic theory may be employed by extracting only the diffusive-transport part of the phonon spectrum (i.e., the MFPs are less than a thermal length). By considering phonon dispersion and polarization effects, the phonon MFP distributions of silicon at room temperature are calculated from phonon transport properties and the spectral MFP. Our results are validated by comparison with those of the first principle and MFP spectroscopy data.

Structure and Elastic Properties of (Nb1-xTax)C, (Nb1-xHfx)C, Ultra-High Temperature Solid Solution Ceramics using the First Principles Calculation (제1원리계산을 이용한 (Nb1-xTax)C, (Nb1-xHfx)C 초고온 세라믹 고용체의 구조 및 탄성특성)

  • Kim, Myungjae;Kim, Jiwoo;Kim, Jiwoong;Kim, Kyung-Nam
    • Korean Journal of Materials Research
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    • v.31 no.12
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    • pp.682-689
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    • 2021
  • NbC, HfC, TaC, and their solid solution ceramics have been identified as the best materials for ultrahigh-temperature ceramics. However, their structural stability and elastic properties are mostly unclear. Thus, we investigated structure and elastic properties of (Nb1-xTax)C and (Nb1-xHfx)C solid solutions via ab initio calculations. Our calculated results show that the stability of (Nb1-xTax)C and (Nb1-xHfx)C increases with the increase of Hf and Ta content, and (Nb1-xHfx)C is more stable than (Nb1-xTax)C at the same content of Hf and Ta. The lattice constants decrease with increasing of Hf and Ta content. (Nb1-xTax)C and (Nb1-xHfx)C carbides are mechanically stable and brittle. Bulk modulus of (Nb1-xTax)C increases with increasing Ta content. In contrast, bulk modulus of (Nb1-xHfx)C decreases with increasing Hf content. Hardness of solid solutions shows the highest values at the (Nb0.25Ta0.75)C and (Nb0.75Hf0.25)C. In particular, (Nb0.75Hf0.25)C shows the highest hardness for the current system. The results indicate that the overall mechanical properties of (Nb1-xHfx)C solid solutions are superior to those of (Nb1-xTax)C solid solutions. Therefore, controlling the Hf and Ta element and content of the (Nb1-xTax)C and (Nb1-xHfx)C Solid solution is crucial for optimizing the material properties.

A Reconstruction of Area Unit of Elementary Mathematics Textbook Based on Freudenthal's Mathematisation Theory (Freudenthal의 수학화 이론에 근거한 제 7차 초등수학 교과서 5-가 단계 넓이 단원의 재구성)

  • You, Mi-Hyun;Kang, Heung-Kyu
    • Journal of Elementary Mathematics Education in Korea
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    • v.13 no.1
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    • pp.115-140
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    • 2009
  • Freudenthal has advocated the mathematisation theory. Mathematisation is an activity which endow the reality with order, through organizing phenomena. According to mathematisation theory, the departure of children's learning of mathematics is not ready-made formal mathematics, but reality which contains mathematical germination. In the first place, children mathematise reality through informal method, secondly this resulting reality is mathematised by new tool. Through survey, it turns out that area unit of Korea's seventh elementary mathematics textbook is not correspond to mathematisation theory. In that textbook, the area formular is hastily presented without sufficient real context, and the relational understanding of area concept is overwhelmed by the practice of the area formular. In this thesis, first of all, I will reconstruct area unit of seventh elementary textbook according to Freudenthal's mathematisation theory. Next, I will perform teaching experiment which is ruled by new lesson design. Lastly, I analysed the effects of teaching experiment. Through this study, I obtained the following results and suggestions. First, the mathematisation was effective on the understanding of area concept. Secondly, in both experimental and comparative class, rich-insight children more successfully achieved than poor-insight ones in the task which asked testee comparison of area from a view of number of unit square. This result show the importance of insight in mathematics education. Thirdly, in the task which asked testee computing area of figures given on lattice, experimental class handled more diverse informal strategy than comparative class. Fourthly, both experimental and comparative class showed low achievement in the task which asked testee computing area of figures by the use of Cavalieri's principle. Fifthly, Experiment class successfully achieved in the area computing task which resulting value was fraction or decimal fraction. Presently, Korea's seventh elementary mathematics textbook is excluding the area computing task which resulting value is fraction or decimal fraction. By the aid of this research, I suggest that we might progressively consider the introduction that case. Sixthly, both experimental and comparative class easily understood the relation between area and perimeter of plane figures. This result show that area and perimeter concept are integratively lessoned.

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Principle and Application of Composting for Soils Contaminated with Hazardous Organic Pollutants (오염토양 정화를 위한 콤포스팅 기술의 원리와 적용에 관한 고찰)

  • Park, Joon-Seok;Lee, Noh-Sup;In, Byung-Hoon;Namkoong, Wan;Hwang, Eui-Young
    • Journal of the Korea Organic Resources Recycling Association
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    • v.9 no.3
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    • pp.77-87
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    • 2001
  • Composting is a cost-effective and environmentally-sound technology to treat soils contaminated with hazardous organic pollutants. Pollutants to be treated are as follows: explosives, phenolic compounds, PAHs, petroleum hydrocarbons, pesticides, and etc. Composting systems are windrow, static pile, and in-vessel. Design and operational parameters of composting are aeration modes, temperature, moisture content, nutrient supplement, amendment added, and etc. Appropriate oxygen concentration of composting for contaminated soils are 5~15%, while some compounds are degraded well at the low $O_2$ concentration of 2~5%. The most diverse microorganisms live in the temperature of $25{\sim}40^{\circ}$. 50~90% of the soil field capacity is the moisture content not to make a problem in composting. Assuming a bacterial chemical equation is $C_{60}H_{87}O_{23}N_{12}P$, theoretical C : N : P from bacterial chemical portion is approximately 20 : 5 : 1. It should be noted that the ratio does not apply to the total organic carbon measured in a waste because not all carbon metabolized by bacteria is synthesized to new cellular material. Initial C/N ratio of 25~40 is optimum. It is more economical to recycle soils or composts than to add commercial microbes.

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A historical study on the flexibility square-format typeface and the prospects - Focused on the three-pairs fonts of hangeul - (탈네모글꼴에 관한 역사적 연구와 전망 - 세벌식 한글 글꼴을 중심으로 -)

  • Yu, Jeong-Mi
    • Archives of design research
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    • v.19 no.2 s.64
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    • pp.241-250
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    • 2006
  • Hangeul as the Korean unique characters were invented according to some character-making principles and based on scholars' exhaustive researches. While most of the characters in the world evolved naturally, Hangeul was invented based on a precise linguistic analysis of the time, and therefore, it is most scientific and reasonable among various characters throughout the world. Nevertheless, Hangeul typeface designs do not seem to inherit the ideology of scientific and reasonable Hangeul correctly. For the square forms have been used intact due to the influences from the Chinese characters which prevailed during the time. If a single set of square characters should be designed, as much as 11,172 fonts should be designed, which suggests that advantages of Mangeul may not well be used fully; Hangeul was invented to visualize every sound with the combinations of 28 vowels and consonants. Problems of such square fonts began to be identified since 1900's when typewriters were introduced first from the West. Since a typewriter is designed with 28 characters laid out on its keyboard by using such combinations, the letters may be easily combined on it. The so-called the flexibility square-format typeface was born as such. Specially, the three-pairs fonts of these can be combined up to 67 letters including vowels and consonants. The three-pairs fonts system can help to solve the problems arising form the conventional square fonts and inherit the original ideology of Hangeul invention. This study aims to review the history of the three-pairs fonts designs facilitated by mechanic encoding of Hangeul and thereupon, suggest some desirable directions for future Hangeul fonts. Since the flexibility square-format typeface is expected to evolve more and more owing to development of the digital technology, they would serve our age of information in terms of both functions and convenience. Just as Hunminjongum tried to be literally independent from the Chinese characters, so the flexibility square-format typeface designs would serve to recover identity of our Hangeul font designs.

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A Study on the Ordering Status of Traditional Landscape Design Service in Cultural Heritage (문화재의 전통조경설계용역 발주실태 연구)

  • Kim, Min-Seon;Kim, Choong-Sik;Lee, Jae-Yong
    • Journal of the Korean Institute of Traditional Landscape Architecture
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    • v.39 no.3
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    • pp.33-41
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    • 2021
  • This study identified the scale that traditional landscape design has taken up by analyzing a total of 1037 services for design of cultural heritage that had been ordered by the government agencies from 2018 to 2020, and has drawn characteristics of traditional landscape design focusing on major cases. The results are as follows. First, the number of order cases for traditional landscape design has shown differences annually in the services of design of cultural heritage, but the design amount has been found to have the similar average annually, which confirmed that the same level has been maintained each year. It was found that the number of cases of traditional landscape design requiring responsibilities or participations of landscape engineers for 3 years in the entire design had a high proportion of approximately 26%. Second, the traditional landscape design has required professional knowledge and experiences of landscape engineers that could not be replaced by the business operator for design of cultural heritage consisting of architects. The expertise has been shown differently depending on types of construction. First, the topographical design for the work to build a foundation has required understanding of ground shapes and its elevations and professional knowledge on calculation of the amount of the earth work and the remains maintenance technique etc. The plantation design has required basic knowledge on growth characteristics of trees and the environment for growth and understanding of the vegetation landscape of the past. Meanwhile, the design for traditional pavement and traditional landscape structures and facilities has required the expertise on traditional materials that are different from the modern ones and their processing and construction methods. The understanding of changes to water paths and ecosystem, the principles of fluids, and characteristics of each type of fluid was essential for the design for the ecological landscape work including the maintenance of a water system such as rivers etc. As such, the traditional landscape design has a scale accounting for approximately one fourth of the entire cultural heritage design and requires the expertise differentiated from other fields. This improves the provisions of the current law on limiting the actual design, suggesting the need for the establishment of a traditional landscape design company so that all traditional landscape designs can be carried out by landscape engineers.