• 한국전기전자재료학회논문지
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• 제25권7호
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• pp.569-573
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• 2012

We investigated the speed change of the diamond spherical abrasive during the substrate surface polishing under the pad compression by using classical molecular dynamics modeling. We performed three-dimensional molecular dynamics simulations using the Morse potential functions for the copper substrate and the Tersoff potential function for the diamond abrasive. As the compressive pressure increased, the indented depth of the diamond abrasive increased and then, the speed of the diamond abrasive along the direction of the pad moving was decreased. Molecular simulation result such as the abrasive speed decreasing due to the pad pressure increasing gave important information for the chemical mechanical polishing including the mechanical removal rate with both the pad speed and the pad compressive pressure.

• Tribology and Lubricants
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• 제20권2호
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• pp.102-108
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• 2004

In this paper, friction and wear behaviors between monocrystalline, defect-free copper and carbon on the atomic scale are investigated by using 2-dimensional molecular dynamics simulation. It is assumed that all interatomic forces are given by Morse potential. The deformation of carbon is assumed to be neglected and vacuum condition is also assumed. Average friction and normal forces for various surface conditions, various scratch speeds and scratch depths are obtained from simulations. Changes of wear behaviors for various scratch speeds and surface conditions are investigated by observing snapshots in scratch process. The effects of surface conditions, scratch speeds, and scratch depths on the friction force, normal force, and friction coefficient are also investigated.

• 반도체디스플레이기술학회지
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• 제10권4호
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• pp.47-51
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• 2011

We investigated the substrate surface polishing by the spherical rigid abrasive under the compression using classical molecular dynamics modeling. We performed three-dimensional molecular dynamic simulations using the Morse potential functions for the various slide-to-roll ratios, from 0 to 1, and then, the compressive forces acting on the spherical rigid abrasive were calculated as functions of the time and the slide-to-roll ratio. The friction coefficients obtained from the classical molecular dynamics simulations were compared to those obtained from the experiments; and found that the molecular dynamic simulation results with the slide-to-roll ratio of 0 value were in good agreement with the experimental results.

• 반도체디스플레이기술학회지
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• 제10권3호
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• pp.49-52
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• 2011

This paper shows the results of classical molecular dynamics modeling for the interaction between spherical nano abrasive and substrate in chemical mechanical polishing processes. Atomistic modeling was achieved from 3-dimensional molecular dynamics simulations using the Morse potential functions for chemical mechanical polishing. The abrasive dynamics was modeled by three cases, such as slipping, rolling, and rotating. Simulation results showed that the different dynamics of the abrasive results the different features of surfaces. The simulation concerning polishing pad, abrasive particles and the substrate has same results.

• 한국정밀공학회지
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• 제12권4호
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• pp.135-142
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• 1995

Recently, the analysis of microcutting with submicrometer depth of cut is tried to get a more high quality surface product, but to get a valuable result another method instead of conventional finite element method must be considered because finite element method is impossible for a very small focused region and mesh size. As the alternative method, Molecular Dynamics or Statics is suggested and accepted in the field of microcutting, indentation and crack propagation. In this paper using Molecular Dynamics simulation, the phenomena of microcutting with subnanometer chip thickness is studied and the cutting mechanism for tool edge configuration is evaluated. As the result of simulation the atomistic chip formation is achieved.

• Bulletin of the Korean Chemical Society
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• 제13권1호
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• pp.11-17
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• 1992

Vibration-to-vibration energy transfer probabilities for $HF(v=n)+H_2(v=0){\to}HF(v=n-1)+H_2(v=1)$ and $DF(v=n)+D_2(v=0){\to}DF(v=n-1)+D_2(v=1)$ including both the vibration-to-vibration and translation (V-V, T) and vibration-to-vibration and rotation (V-V, R) energy transfer paths have been calculated semiclassically using a simplified collision model and Morse-type intermolecular interaction potential. The calculated results are in reasonably good agreement with those obtained by experimental studies. They also show that the transition processes for $HF(v=1-3)+H_2(v=0){\to}HF(v=0-2)+H_2(v=1)$ and $DF(v=1,\;4)+D_2(v=0){\to}DF(v=0,\;3)+D_2(v=1)$ are strongly dependent on the V-V, T path at low temperature but occur predominantly via the V-V, R path with rising temperature. The vibration-to-vibration energy transfer for $HF(v=4)+H_2(v=0){\to}HF(v=3)+H_2(v=1)$ and $DF(v=2-3)+D_2(v=0){\to}DF(v=1-2)+D_2(v=1)$ occur predominantly via V-V, R path and V-V, T path through whole temperatures, respectively.

• 대한기계학회논문집A
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• 제38권2호
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• pp.121-127
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• 2014

단층 그래핀 시트(Single layer graphene sheet, SLGS)의 찢어짐 모드(모드 III) 파괴 예측을 위한 원자 기반 미세결합요소모델이 개발되었다. 이 모델은 그래핀 시트의 최대 변형률 관계를 예측하기 위해 수정된 모스포텐셜을 사용한다. 면외 전단하중 조건에서 그래핀의 모드 III 파괴를 광범위한 분자역학(Molecular mechanics, MM) 시뮬레이션으로 조사하였다. 분자역학은 원자의 균열선단 근처 원자의 변위를 설명하기 위해 사용되었고, 선형탄성파괴역학은 이 영역 바깥의 영역을 설명하기 위해 사용되었다. 해석 결과 분자역학 방법이 SLGS의 전단 물성 계산뿐만 아니라 armchair 및 zigzag 방향 모드 III 파괴인성 연구에도 단순하면서도 신뢰할만하다는 것을 보여준다. SLGS 의 모드 III 파괴인성은 zigzag 방향에 대해 $0.86MPa{\sqrt{m}}$, armchair 방향에 대해 $0.93MPa{\sqrt{m}}$로 예측되었다.

• Journal of Nutrition and Health
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• 제8권4호
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• pp.9-14
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• 1975

Growth retardation and a variable degree of body disproportion are recognized features of malnutrition, and mild and moderate protein-calorie malnutrition(PCM). Among the various body measurements suggested to assess the prevalence of all grades of PCM as judged by growth retardation and by body disproportion, the 'mid-upper-arm circumference'-abbreviated to 'arm-circumference' has been suggested as a potential useful simple field index for the assessment of PCM showing that the measurement would give composite information simultaneously on three important effects on PCM-deficit in the muscle protein reservoirs, availability of calorie stores in the form of subcutaneous fat, and growth failure. And this is selected because of its easy accessibility, and less involvement with clinical edema. This study is conducted to make a comparison between the percentage of Korean weight for age standards and the percentage of mid-upper-arm circumference for age standards of 175 preschool children aged $3{\sim}72$ months who are selected among the low-income residents in Seoul. In this study, a comparison is made between the results obtained by expressing the observed weight of the child as a percentage of Korean standard, referred to as 'weight-for-age' and the observed arm-circumference expressed as a percentage of the age-specific arm standard of Jelliffe, referred to as 'arm-for-age'. All the measurements were taken following the techniques described by Jelliffe. The left mid upper arm was measured using a glass-fibre tape and the Fairbanks Morse beam balance was used for weighing. 80% level of weight for age Korean standard and 85% level of arm for are Jelliffe standard were used as an upper borderline limit for PCM. Comparing the 80% weight-for-age and the 85% arm-for-age standard as an upper limit for PCM, for children aged $3{\sim}72$ months, results in 84.6% agreement with the sensitivity of 86.4% and its specificity of 83.5%. If arm circumference alone had been measured and judgement made on this basis, then only 5.1% of the children would have been 'wrongly' classified. And there is a moderately close correlation between arm circumference and weight for age as the data in Table 4 shows. The problem therefore lies in the standard for arm circumference in normal children and in determining what is the lower limit of normal. Once this is clearly difined, one can rely more confidently on arm circumference measurements alone for the nutritional assessment of early childhood.