• Title/Summary/Keyword: dft

Search Result 986, Processing Time 0.032 seconds

DFT Studies on Hydrogen Bonding in Water Complexes of Amino-substituted Pyridine (아미노 치환 피리딘-물 착화합물의 수소결합에 대한 DFT 연구)

  • Gab-Yong Lee;Ok-Ju Kim
    • Journal of the Korean Chemical Society
    • /
    • v.47 no.2
    • /
    • pp.96-103
    • /
    • 2003
  • Density Functional Theory(DFT) calculations are performed to estimate the hydrogen bonding interaction energies in pyridine-water and amino-substituted pyridine-water complexes. Some equilibrium properties are also obtained for these complexes at B3LYP/aug-cc-pVDZ level. It is shown that the amino substitution increases the proton affinity of pyridine and stabilizes the hydrogen bond. The degree of stabilization upon formation of the complex varies with the number and the position of the amino groups.

A Study on Efficient Test Data Compression Method for Test-per-clock Scan (Test-per-clock 스캔 방식을 위한 효율적인 테스트 데이터 압축 기법에 관한 연구)

  • Park, Jae-Heung;Yang, Sun-Woong;Chang, Hoon
    • Journal of the Institute of Electronics Engineers of Korea SD
    • /
    • v.39 no.9
    • /
    • pp.45-54
    • /
    • 2002
  • This paper proposes serial test data compression, a novel DFT scheme for embedded cores in SOC. To reduce test data amounts, share bit compression and fault undetectable fault pattern compression techniques was used. A Circuits using serial test data compression method are derived from a scan DFT method including a test-per-clock technique. For an experiment of the proposed compression method, full scan versions of ISCASS85 and ISCASS89 were used. ATALANTA has been used for ATPG and fault simulation. The amount of test data has been reduced by maximum 98% comparing with original data.

Correlation Effect on the Electronic Structures of {Li, Na}FeAs ({Li, Na}FeAs 물질의 강상관계 전자 구조)

  • Ji, Hyo-Seok;Lee, Geun-Sik;Shim, Ji-Hoon
    • Progress in Superconductivity
    • /
    • v.14 no.1
    • /
    • pp.11-16
    • /
    • 2012
  • Based on fully self-consistent dynamical mean field theory (DMFT) method, we investigate electronic structure and Fermi surface nesting property of LiFeAs and NaFeAs, focusing on the correlation effect of iron 3d orbital. For LiFeAs, good nesting property by density functional theory (DFT) method is much suppressed by DFT+DMFT method due to the orbital-dependent renormalization magnitude. NaFeAs shows a similar behavior, but a better nesting is obtained than LiFeAs from DFT+DMFT Fermi surfaces. Our result is consistent with the observed superconducting (spin density wave) ground state of LiFeAs (NaFeAs).

A DFT Study for the Reaction Pathway(s) of Polycyclic Aromatic Hydrocarbons I: Phenanthrene Degradation with two OH Radicals (다고리 방향족 탄화수소의 반응 경로에 대한 DFT 연구 I: 2개의 OH 라디칼에 의한 페난트렌의 분해 반응)

  • Lee, Min-Joo;Lee, Byung-Dae
    • Journal of the Korean Chemical Society
    • /
    • v.65 no.1
    • /
    • pp.9-14
    • /
    • 2021
  • In this study, the DFT calculation was performed using the B3LYP/6-31G(d,p) basis sets for the reaction process in which phenanthrene decomposes due to the chain reaction of two OH radicals on phenanthrene in the gaseous state of 298 K at 1 atm. As a result of the calculation, even when two OH radicals act on phenanthrene in a chain, the reaction for producing phenanthren-9-ol is predicted to be more advantageous than the reaction for producing phenanthren-1-ol. On the other hand, it was predicted that the OH addition process at room temperature would be advantageous for the priority of the OH addition and H abstraction process.

Sliding-DFT based multi-channel phase measurement FPGA system (Sliding-DFT를 이용한 다채널 위상 측정 FPGA 시스템)

  • Eo, Jin-Woo;Chang, Tae-Gyu
    • Journal of IKEEE
    • /
    • v.8 no.1 s.14
    • /
    • pp.128-135
    • /
    • 2004
  • This paper proposes a phase measurement algorithm which is based on the recursive implementation of sliding-DFT. The algorithm is designed to have a robust behavior against the erroneous factors of frequency drift, additive noise, and twiddle factor approximation. The size of phase error caused by the finite wordlength implementation of DFT twiddle factors is shown significantly lower than that of magnitude error. The drastic reduction of the phase error is achieved by the exploitation of the quadruplet symmetry characteristics of the approximated twiddle factors in the complex plane. Four channel power-line phase measurement system is also designed and implemented based on the time-multiplexed sharing architecture of the proposed algorithm. The operation of the developed system is also verified by the experiment performed under the test environment implemented with the multi-channel function generator and the on-line interfaced host processor system. The proposed algorithm's features of phase measurement accuracy and its robustness against the finite wordlength effects can provide a significant impact especially for the ASIC or microprocessor based embedded system applications where the enhanced processing speed and implementation simplicity are crucial design considerations.

  • PDF

Relationship between Obesity and Dental Caries in Primary Teeth in Iksan city (익산시 어린이들의 비만과 유치의 우식 간의 관련성)

  • Lee, Jeongeun;An, Soyoun;Song, Jihyun;Ra, Jiyoung
    • Journal of the korean academy of Pediatric Dentistry
    • /
    • v.43 no.2
    • /
    • pp.151-157
    • /
    • 2016
  • The purpose of this study was to evaluate the relationship between obesity and dental caries in young children. The subjects were 769 children aged 3 to 6 years, in Iksan, Korea. Body mass index (BMI) and decayed and filled primary teeth (dft) were recorded. Children were classified into four groups (underweight, normal, obese at risk, and obese) according to their BMI percentile. The data of 754 participants, excluding 15 underweight children, were analyzed. The mean dft index was 3.39. There were no significant differences in the number of caries according to gender. The dft index increased significantly with age, with a sharp increase between ages 4 and 5. Children in the obese at risk and obese groups had more caries than those in the normal group. However, there were no statistically significant differences in dft index values between BMI-categorized groups except in 3-year-olds. These findings suggest that there is no significant connection between obesity and dental caries in primary teeth.

Study on the factors affecting dental caries of preschool children. - Study focused on preschool children in province, Chugcheongnam-do - (학령전기 아동의 치아우식증 발생에 영향을 미치는 요인 조사 - 충남 일부지역 아동을 중심으로 -)

  • Bae, Sung-Suk;Noh, Hie-Jin
    • The Journal of Korean Society for School & Community Health Education
    • /
    • v.12 no.2
    • /
    • pp.69-80
    • /
    • 2011
  • Objectives: The purpose of this study was to explore relationship among dft index, diet and oral health behavior, parental awareness in oral health care and social status. Methods: This study was conducted from 8 January, 2009 to 11 June, 2009 in Asan city and Seosan city in Chungnam area. 4 kindergratens, 3 preschools and 1 children language academy were randomly selected to research on dft index, diet and oral health behavior. cross-sectional study conducted among 561 valid samples out of 641 samples collected using the survey was and then followed by oral examination. Throughout the research, numerus SPSS 15.0 statistical techniques, T-test and ANOVA and Spearman correlation coefficients were used for analysis. Results: Key results of the study are as follows: Age was found to be statistically very significant to dft index(p=0.036). Age of mother, especially between 30 to 49, was found to be statistically significant to dft index rate(p=0.001). Occupation of father was also found to be statistically significant to dft index(p=0.036). High parental awareness in oral health care led to low dft index rate, which also was found to be statistically significant(p=0.036). Conclusions: In conclusion, as Spearman correlation coefficient demonstrates, occupation of father affects most on long-term healthy oral behavior followed by parental awareness in oral health care and age of mother.

  • PDF

Assessment of Critical Temperature for the Growth and Development of Early Transplanted Temperate Rice

  • Wbonho Yang;Shingu Kang;Dae-Woo Lee;Jong-Seo Choi
    • Proceedings of the Korean Society of Crop Science Conference
    • /
    • 2022.10a
    • /
    • pp.171-171
    • /
    • 2022
  • Effect of temperature during the period of 10 days from transplanting (10 DFT) on the growth and development of rice plants was investigated by transplanting semi-adult seedlings six times from 5 April to 15 May at 10-day interval in the field conditions of 2020 and 2021, with aims to investigate the critical temperature for early transplanting of temperate rice. In the two experimental years, mean temperature for 10 DFT appeared 9.1, 10.5, 11.6, 13.8, 13.9, 16.2, 16.4, 16.7, 17.1, 17.8℃ depending on the transplanting date. Mean temperature of 9.1℃ and 10.5℃ for 10 DFT appeared in the April 5 and April 15 transplants in 2020 showed negative or no effect on the increase of rice growth and acceleration of heading date when compared to those of right after transplanting treatments in the same year. Mean temperature of 11.6℃ for 10 DFT appeared in the April 5 transplant in 2021 demonstrated greater biomass from early to heading stage but the same heading date compared to April 15 transplant, indicating that 11.6℃ for 10 DFT had a positive effect on rice growth but no effect on advanced heading. Both more biomass and advanced heading stage were observed when the mean temperature for 10 DFT was 13.8℃ or higher, compared to those of right after transplanting treatments. These findings indicate that effective 10-DFT mean temperature for rice growth exists between 10.5 and 11.6℃, and that for rice development in terms of heading stage lies between 11.6 and 13.8℃ in natural condition. Further field and indoor studies are suggested to narrow down the critical temperature for early transplanting of temperate rice, which will enable to maximize the crop period in high altitude regions with low temperature.

  • PDF

Growth and Flowering Responses of Carnation (Dianthus caryophyllus) as influenced by Hydroponic Systems and Nutrient Solutions (재배방식과 양액의 종류에 따른 카네이션(Dianthus caryophyllus)의 생장과 개화반응)

  • 정순주;이범선;강종구;서범석
    • Journal of Bio-Environment Control
    • /
    • v.6 no.3
    • /
    • pp.190-197
    • /
    • 1997
  • This study was conducted to determine the optimum hydroponic system and nutrient solution for promoting the growth and flowering of hydroponically grown carnation. DFT (deep flow technique) and NFT (nutrient film technique) systems were employed and four kinds of nutrient solution, which are Cooper solution, Yamasaki solution, balanced nutrient solution by Japanese Horticultural Experiment Station and PTG solution in the Netherlands were used and compared. pH was lowest in the PTG solution compared to the other nutrient solutions used. Plant height was highest in the DFT system in the plot of PTG solution as of 53.0 cm at 88 days after transplanting, while lowest in NFT system with Cooper solution. Stem diameter was more thickened in NFT system with PTG solution as of 7.2 mm at 88 days after transplanting. Days to flowering was shortened to 122.3 days in NFT system when PTG solution was used. This results suggested a combination of NFT system with PTG solution as optimum hydroponic system and nutrient solution for cut carnation production. Further trials as to the management of nutrient solution by glowing stages should be followed.

  • PDF