N과 AlN 시트에 다양한 기체(CO_x, NO_x, SO_x)의 흡착에 관한 이론 연구

김성현,김백진,신창호,김승준,Kim, Sung-Hyun,Kim, Baek-Jin,Shin, Chang-Ho,Kim, Seung-Joon 대한화학회 2017 대한화학회지 Vol.61 No.1

본 연구는 그래핀과 유사한 2차원 붕소-질소(BN)와 알루미늄-질소(AlN) 시트에 여러 대기 유해 가스($CO_x$, $NO_x$, $SO_x$)가 흡착될 때의 구조적 특징과 결합에너지를 밀도 범함수 이론(DFT)과 MP2 방법을 사용하여 연구하였다. 분자 구조는 $B3LYP/6-31G^{**}$와 $CAM-B3LYP/6-31G^{**}$이론 수준에서 최적화하고, 진동 주파수를 계산하여 열역학적으로 가장 안정한 분자 구조를 확인하였다. 결합에너지는 $MP2/6-31G^{**}$ 이론 수준에서 한 점(single point) 에너지를 계산하고, 영점 진동에너지(ZPVE)와 바탕집합 중첩에러(BSSE)를 모두 보정하였다. BN 시트에 가스의 흡착은 모두 물리흡착으로 예측되었으며, AlN 시트에 대한 가스 흡착은 $CO_x$나 $NO_x$에 대해서는 물리흡착이 그리고 $SO_x$에 대해서는 화학 흡착이 일어날 것으로 예측되었다. The adsorption of various atmospheric harmful gases ($CO_x$, $NO_x$, $SO_x$) on graphene-like boron nitride(BN) and aluminum nitride(AlN) sheets was theoretically investigated using density functional theory (DFT) and MP2 methods. The structures were fully optimized at the $B3LYP/6-31G^{**}$ and $CAM-B3LYP/6-31G^{**}$ levels of theory and confirmed to be a local minimum by the calculation of the harmonic vibrational frequencies. The MP2 single-point binding energies were computed at the $CAM-B3LYP/6-31G^{**}$ optimized geometries. Also the zero-point vibrational energy (ZPVE) and 50%-basis set superposition error (BSSE) corrections were included. The adsorptions of gases on the BN sheet were predicted to be a physisorption process and the adsorptions of gases on the AlN sheet were predicted to be a physisorption process for $CO_x$ and $NO_x$ but to be a chemisorption process for $SO_x$.

치주치료 후 구강 내 Volatile Sulfur Compounds(VSC)의 변화

김성현,채경준,정의원,김창성,최성호,조규성,채중규,김종관,방은경,Kim, Sung-Hyun,Chae, Gyeong-Jun,Jung, Ui-Won,Kim, Chang-Sung,Choi, Seong-Ho,Cho, Kyoo-Sung,Chai, Jung-Kyu,Kim, Chong-Kwan,Bang, Eun-Gyeong 대한치주과학회 2006 Journal of Periodontal & Implant Science Vol.36 No.3

Oral malodor may cause a significant social or psychological handicap to those suffering from it. Oral malodor has been correlated with the concentration of volatile sulfur compounds (VSC) produced in the oral cavity. Specific bacteria identified in the production of VSC have been reported and many of these bacteria are commonly suspected periodontal pathogens. The aim of this study was to estimate the change of the VSC concentration after periodontal treatment, Twenty subjects with probing depth $(PD)\;{\geq}5mm$ (experimental group) and 20 subjects with PD<5mm (control group) participated. VSC concentration measurement was made with gas chromatography. VSC concentration was measured at pre-treatment, 2 weeks after scaling and 1 month after periodontal treatment(root planning and flap operation). Maximum probing depth and bleeding on probing(BOP) were also examed at pretreatment and 1 month after periodontal treatment, The conclusions were as follow: 1. In the experimental group VSC concentration and CH3SH/H2S ratio were higher than control group. (p<0.05) 2. Both VSC concentration and CH3SH/H2S ratio showed decrease after periodontal treatment, But only CH3SH/H2S ratio after 1 month periodontal treatment was statistically significantly different from pre-treatment. (p<0.05) 3. CH3SH/H2S ratio tended to be on increase according to maximum probing depth and bleeding on probing. Periodontal disease could be a factor that caused oral malodor and oral malodor could be decreased after periodontal treatment.

풀러렌-물 클러스터의 상호작용에 대한 양자 역학적 이론 연구

김성현,신창호,김지선,강소영,김승준,Kim, Sung-Hyun,Shin, Chang-Ho,Kim, Ji-Sun,Kang, So-Yung,Kim, Seung-Joon 대한화학회 2015 대한화학회지 Vol.59 No.1

풀러렌(fullerene)의 내부에 캡슐화될 수 있는 물 분자의 수와 물 분자들이 증가함에 따라 풀러렌의 안정적인 구조에 미치는 영향을 조사하기 위해 밀도 범함수 이론(density functional theory, DFT)을 이용하여 풀러렌-물 클러스터$(H_2O)_n@C_{60}$, (n=1-10)의 구조 변화에 따른 열역학적 안정성 및 결합에너지를 계산하였다. 각각의 구조들에 대해서 여러 이론 수준에서 최적화하였으며 진동주파수를 계산하여 가장 안정한 구조를 조사하고 IR 스펙트럼을 예측하였다. 또한 풀러렌 내의 물 분자 수가 증가함에 따른 수소결합의 세기 변화를 순수한 물 클러스터$(H_2O)_n$, (n=1-6)의 수소결합과 비교 분석하였다. The density functional theory (DFT) calculations on $(H_2O)_n@C_{60}$, (n=1-10) complexes have been performed to elucidate hydrogen interaction between fullerene and water clusters. The optimized geometries, harmonic vibrational frequencies, and binding energies are predicted at various levels of theory. The harmonic vibrational frequencies for the molecules considered in this study show all real numbers implying true minima. We also compare the H-bond interaction between $(H_2O)_n$ and $(H_2O)_n@C_{60}$, (n=1-10) clusters.

골절 방지 시스템의 개발을 위한 낙상 시뮬레이션과 충격 흡수 시스템에 관한 연구

김성현,김동욱,김남균,Kim, S.H.,Kim, D.W.,Kim, N.G. 대한의용생체공학회 2010 의공학회지 Vol.31 No.6

The social activities of the elderly have been increasing as our society progresses toward an aging society. As their activities are increased, the occurrence of falls that could lead to fractures are increased. Falls are serious health hazards to the elderly and we need more thorough understanding of falls including the progress of falls and the impact area in various fall directions. Many of the traditional methods of falls research dealt with voluntary falls by younger subject since older subject can easily get fracture from voluntary falls. So, it has been difficult to get exact data about falls of the elderly. Here, we tried to capture the characteristics of the movements of major joints using three dimensional motion capture system during falls experiments using a moving mattress that can safely induce unexpected falls. Healthy younger subjects participated in the actual falls experiment and the moving mattress was actuated by a pneumatic system. The kinematic parameters such as velocities of major segments were imported to a computer simulation environment and falls to hard surfaces were simulated in a computational environment using a realistic human model of aged persons. The simulation was able to give approximations to contact forces which can occur during actual falls. And we designed impact absorption system to reduce the impact during falls. We can adapt this system to fracture prevention system that we are going to study.

A Review on Effects of Weld Porosity in Laser-Arc Hybrid Welding for Aluminum Alloys

김성현,김재득,전현욱,천주용,Seungjong Yun,Yang-Do Kim,지창욱 대한용접접합학회 2023 대한용접·접합학회지 Vol.41 No.5

It is expected that the application of aluminum alloy, a lightweight material, will continue to increase in connection with strengthening international environmental regulations and improving fuel efficiency for reducing vehicle emissions. Accordingly, aluminum alloys are widely applied to the automobile industry, and various welding methods are used for aluminum alloys. In this paper, the laser-arc hybrid welding method that combines laser and arc welding is explained. Although laser-arc hybrid welding has better weldability than a single heat source of laser or arc, the degradation of mechanical properties due to defects occurring during hybrid welding has emerged as a problem. This paper discussed the quality of aluminum alloy welds through optimization of various process parameters of hybrid welding.

양면시장 관점에서 본 IPTV서비스와 망중립성 규제정책의 효과

김성현,김아람 ( A Ram Kim ) 정보통신정책학회 2008 정보통신정책학회 정기학술대회 Vol.2008 No.-

수자원 전망 불확실성 분해 R Package 'UncDecomp'

김성현,온일상,김용대,Kim, Seong-Hyeon,On, Il-Sang,Kim, Yong-Dae 한국수자원학회 2019 물과 미래(한국수자원학회지) Vol.52 No.11

퍼지적분을 이용한 영상품질의 객관적이고 정량적 평가: 팬톰 연구

김성현,서태석,최보영,이형구,Kim, Sung-Hyun,Suh, Tae-Suk,Choe, Bo-Young,Lee, Hyoung-Koo 한국의학물리학회 2008 의학물리 Vol.19 No.4

물리적 평가(physical evaluation)가 영상품질의 객관화와 정량화를 위한 토대를 제공함에도 불구하고, 부정확하고 가변적인 특성을 지닌 주관적 평가(subjective evaluation)가 영상평가에 중요한 역할을 하게 된다. 본 연구에서는 디지털 방사선 영상의 물리적 평가와 주간적 평가의 단점을 상호 보완하고 객관적 정량화를 위한 새로운 방법을 제안하고자 한다. 임상에 사용되고 있는 4대의 디지털 방사선 영상 촬영장치로부터 동일한 임상조건에서 흉부 팬톰 영상을 획득하였다. 물리적 영상평가를 위하여 디지털 흉부 팬톰 내에서 3개의 영역(폐, 심장, 그리고 복부)에 존재하는 CNR (contrast-to-noise ratio)를 측정하였고 분할(segmentation)과 정합(registration)등 다양한 영상처리기술이 적용되었다. 주관적 평가는 5명의 관찰자에 의한 저 대조도 물체의 식별 정도를 점수화 하였다. 두 평가의 특성을 보완 및 결합하고자 퍼지적분 이론이 도입되었다. 4대의 시스템으로부터의 평가결과가 비교되었으며, 물리적 평가와 주관적 평가가 항상 비례하지 않음을 보였다. 물리적 평가에서는 높은 점수를 보였던 시스템이 주관적 평가에서는 상대적으로 낮은 평가를 보였다. 본 연구에서 제안한 퍼지적분에 의한 영상평가의 정량화는 물리적 평가와 주관적 평가를 모두 포함하는 총체적인 평가 방법이며, 다양한 영상품질 평가에 유용할 것이라 사료된다. Physical evaluations provide the basis for an objective and quantitative analysis of the image quality. Nonetheless, there are limitations in using physical evaluations to judge the utility of the image quality if the observer's subjectivity plays a key role despite its imprecise and variable nature. This study proposes a new method for objective and quantitative evaluation of image quality to compensate for the demerits of both physical and subjective image quality and combine the merits of them. The images of chest phantom were acquired from four digital radiography systems on clinic sites. The physical image quality was derived from an image analysis algorithm in terms of the contrast-to-noise ratio (CNR) of the low-contrast objects in three regions (lung, heart, and diaphragm) of a digital chest phantom radiograph. For image analysis, various image processing techniques were used such as segmentation, and registration, etc. The subjective image quality was assessed by the ability of the human observer to detect low-contrast objects. Fuzzy integral was used to integrate them. The findings of this study showed that the physical evaluation did not agree with the subjective evaluation. The system with the better performance in physical measurement showed the worse result in subjective evaluation compared to the other system. The proposed protocol is an integral evaluation method of image quality, which includes the properties of both physical and subjective measurement. It may be used as a useful tool in image evaluation of various modalities.

현장 안전관리 감독자의 smartmaker 를 활용한 건설현장 근로자 정보 관리의 관한 연구

김성현,이지엽,손기영,Kim, Sung-hyun,Lee, Ji-yeob,Son, Kiyoung 한국건설안전학회 2020 한국건설안전학회 논문집 Vol.3 No.1

본 연구의 목적은 건설현장 근로자의 데이터 공유 시스템를 기반으로 건설재해 예방을 위한 근로자 정보 관리 모델을 구축하는 것이다. 이를 위해 첫째, 행연구 고찰을 통해 국내 건설현장의 외국인 근로자 현황을 파악하고, 정보 관리 애플리케이션에 대한 정보를 수집한다. 둘째, 스마트메이커 시스템을 활용하여 Brain storming을 실시하고, Aws를 통해 구축된 서버와 Family tree를 기반으로 개발된 애플리케이션의 기능을 분석한다. 셋째, 전문가 의견조사를 통해 개발된 정보 관리 모델의 경제성 및 효용성을 평가하고, 추가적인 기능 고찰 및 개선방안을 도출한다. 넷째, 개발된 정보 관리 모델의 국내 건설현장에서의 적용성에 대해 종합적으로 검토한다. 그 결과, 노무관리자와 현장 관리자 간의 보고체계가 단순화되어 노무자의 성실성 및 안전관리의 편리성이 있는 것으로 평가되었으며, 기능 추가 관련 사항으로는 자동 로그인 기능을 추가하여 편리성을 보완한다면 더욱 효과적일 것이라는 결론을 도출할 수 있었다. 본 연구의 결과는 향후 건설현장의 안전관리 시스템 구축연구의 기초자료로 활용될 것이다. In this study, an application was developed to reduce the work between labor and safety managers and to hire better workers when hiring workers. With the expected increase in foreign workers in the future, the number of illegal workers will also increase. As a result, accident and on-site management are becoming more difficult due to insufficient information collection of workers. Therefore, it was possible to secure on-site safety through an application that could collect accurate information and reduce the time of information exchange between safety managers and labor managers. In addition, the application was designed to help the safety manager identify the faithful workers more quickly when re-employment of the day laborers if many day laborers were assessed and filled out as they were. This anticipates the expected effect of shortening the construction period. The current application collected necessary information through an interview with the site manager. If the company collects more information needed in the field and has big data than it has collected necessary information so far, it will be highly competitive in the market as it can improve the completeness of applications by establishing opinions and reflecting information accordingly.

HMX/LLM-116 공결정의 고에너지 특성에 관한 이론 연구

김성현,고유미,신창호,김승준,Kim, Sung-Hyun,Ko, Yoo-Mi,Shin, Chang-Ho,Kim, Seung-Joon 대한화학회 2016 대한화학회지 Vol.60 No.1

폭발성능이 높은 HMX와 폭발성능은 떨어지지만 안정성이 높은 LLM-116의 분자복합체인 HMX/LLM-116 공결정(cocrystal)의 폭발 속도, 폭발 압력 그리고 열역학적 안정성에 대하여 이론적으로 연구하였다. 각 분자 구조는 B3LYP/cc-pVTZ 수준까지 최적화 하였으며 가장 약한 방아쇠 결합(trigger bond)과 클러스터에 대한 결합에너지를 계산 하여 열역학적 안정성을 확인하였다. 보다 정확한 에너지를 계산하기 위해 MP2 이론 수준에서 한 점(single point) 에너지를 계산하였으며, monte carlo integration 계산을 통해 밀도를 계산 하였다. 엔탈피는 CBS-Q 이론 수준에서 계산하였으며, 폭발 속도와 폭발 압력은 Kamlet-Jacobs 방정식을 이용하여 계산하였다. The theoretical investigation has been performed to predict detonation velocity, detonation pressure, and thermodynamic stability of HMX/LLM-116 cocrystal. All possible geometries of HMX, LLM-116, and cocrystal have been optimized at the B3LYP/cc-pVTZ level of theory. The binding energy for the trigger bond and cluster has been calculated to predict the thermodynamic stability. The MP2 binding energies were obtained using single point energy calculation at the B3LYP optimized geometries, and the density has been calculated from monte carlo integration. The detonation velocity and detonation pressure have been calculated using Kamlet-Jacobs equation, while enthalpy has been predicted at the CBS-Q level of theory.