• Title/Summary/Keyword: MD method

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Molecular dynamics simulation of bulk silicon under strain

  • Zhao, H.;Aluru, N.R.
    • Interaction and multiscale mechanics
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    • v.1 no.2
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    • pp.303-315
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    • 2008
  • In this paper, thermodynamical properties of crystalline silicon under strain are calculated using classical molecular dynamics (MD) simulations based on the Tersoff interatomic potential. The Helmholtz free energy of the silicon crystal under strain is calculated by using the ensemble method developed by Frenkel and Ladd (1984). To account for quantum corrections under strain in the classical MD simulations, we propose an approach where the quantum corrections to the internal energy and the Helmholtz free energy are obtained by using the corresponding energy deviation between the classical and quantum harmonic oscillators. We calculate the variation of thermodynamic properties with temperature and strain and compare them with results obtained by using the quasi-harmonic model in the reciprocal space.

A New Approach of Multi-Scale Simulation for Investigating Nano-Scale Material Deformation Behavior (나노스케일 재료 변형 거동을 위한 새로운 멀티스케일 접근법)

  • Park, Junyoung
    • Journal of the Korean Society of Manufacturing Process Engineers
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    • v.8 no.1
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    • pp.43-47
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    • 2009
  • Recently, an approach for nano-scale material deformation has been developed that couples the atomistic and continuum approaches using Finite Element Method (FEM) and Molecular Dynamics (MD). However, this approach still has problems to connect two approaches because of the difference of basic assumptions, continuum and atomistic modeling. To solve this problem, an alternative way is developed that connects the QuasiMolecular Dynamics (QMD) and molecular dynamics. In this paper, we suggest the way to make and validate the MD-QMD coupled model.

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Preoperative Diagnosis of Congenital Esophageal Stenosis Caused by Tracheobronchial Remnants Using Miniprobe Endoscopic Ultrasonography in a Child

  • Lee, Kun-Song
    • Pediatric Gastroenterology, Hepatology & Nutrition
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    • v.15 no.1
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    • pp.52-56
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    • 2012
  • Congenital esophageal stenosis (CES) can be classified into three types based on the etiology of stenosis: tracheobronchial remnants (TBRs), fibromuscular hypertrophy (FMH), and membranous diaphragm (MD). It is important to make a differential diagnosis because the therapeutic plan for CES is determined by its etiology. Most cases of FMH and MD can be managed with balloon dilatation, whereas cases of TBRs require resection and anastomosis. Thus, the preoperative distinction of TBRs is critical. Recently miniprobe endoscopic ultrasonography (EUS) with a maximum diameter of 2.5 mm has been useful for distinguishing TBRs from FMH in pediatric patients with CES. EUS shows hyperechoic lesions indicating TBR cartilage. Miniprobe EUS is recommended for choosing the correct therapeutic method for CES. We report a case of CES due to TBRs in which a preoperative diagnosis was made in a child using miniprobe EUS without any difficulties.

A Study on the Machining Characteristics fur Micro Barrier Ribs by using Micro Endmilling (마이크로 엔드밀에 의한 미세격벽가공의 가공특성에 관한 연구)

  • 민승기;이선우;이동주;이응숙;제태진
    • Transactions of the Korean Society of Machine Tool Engineers
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    • v.11 no.3
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    • pp.14-20
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    • 2002
  • Recently, miniaturization and mass production are the main trends in manufacturing fields. Therefore, ultraprecision machining and MEMS technology have been taken more 7md more important position in machining of microparts. Micro endmilling is one of the prominent technology that has wide spectrum of application field ranging from duo parts to micro products, such as PDP md IT components, in precision products manufacturing. However, decreasing of burr is significant problem in making smooth and precise parts in micro endmilling. This paper shows removal characteristics of burr generated by micro endmilling process. This results satisfies micro endmilling for micro barrier ribs of heights is $50{\mu}m$, $100{\mu}m$, $200{\mu}m$, $300{\mu}m$, and observation from of burr. Additionally, it is necessary to understand the formation mechanism of burr of micro barrier ribs to iud proper decreasing method.

Analysis of Stress-Strain Relationship of Nano Structures According to the Size and Crystal Orientation by Using the Molecular Dynamics Simulation (분자동역학을 이용한 나노구조물의 크기와 결정방향에 따른 응력-변형률 관계 해석)

  • Kang, Yong-Soo;Kim, Hyun-Gyu
    • Transactions of the Korean Society of Mechanical Engineers A
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    • v.32 no.12
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    • pp.1047-1054
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    • 2008
  • In this paper, the molecular dynamics (MD) simulations are performed with single-crystal copper blocks under simple shear and simple tension to investigate the effect of size and crystal orientation. There are many variances to give influences such as deformation path, temperature, specimen size and crystal orientation. Among them, the crystal orientation has a primary influence on the volume averaged stress. The numerical results show that the volume averaged shear stress decreases as the specimen size increases and as the crystal orientation changes from single to octal. Furthermore, the Schmid factor and yield stress for crystal orientation are evaluated by using the MD simulation on the standard triangle of stereographic projection.

Effectiveness of external agents in polluted sedimentary area

  • Alam, Md. Mahabub;Haque, Md. Niamul;Cho, Daechul;Kwon, Sung-Hyun
    • Environmental Engineering Research
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    • v.21 no.1
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    • pp.52-57
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    • 2016
  • Sediment is a useful natural source but deteriorated continually by anthropogenic and industrial sources. Therefore, it is imperative to search a suitable method for improving or restoring sediment quality. Sediment has been tested to identify the effects of some external agents on a polluted area for 28 days. Chemical analysis and total viable counts (TVC) test have been conducted for 4 days interval to assess their performance. The analyses of chemical oxygen demand (COD), acid volatile sulfide (AVS), total phosphorous (T-P), total nitrogen (T-N) indicate that the chemical agents was more efficient to improve sediment quality whereas the microbial agent was more efficient for nutrient releasing from sediment. Oxygen releasing property of the chemical agent was thought to be providing with more congenial environment for the higher growth of the bacterial community than the direct application of microbial agents.

Spectral Modeling Synthesis of Haegeum using GPU (GPU를 이용한 해금의 스펙트럼 모델링)

  • Islam, Md Shohidul;Islam, Md Rashedul;Farid, Fahmid Al;Kim, Jong-Myon
    • Proceedings of the Korean Society of Computer Information Conference
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    • 2014.01a
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    • pp.5-8
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    • 2014
  • This paper presents a parallel approach of formant synthesis method for haegeum on graphics processing units (GPU) using spectral modeling. Spectral modeling synthesis (SMS) is a technique that models time-varying spectra as a combination of sinusoids and a time-varying filtered noise component. A second-order digital resonator by the impulse-invariant transform (IIT) is applied to generate deterministic components and the results are band-pass filtered to adjust magnitude. The noise is calculated by first generating the sinusoids with formant synthesis, subtracting them from the original sound, and then removing some harmonics remained. The synthesized sounds are consequently by adding sinusoids, which are shown to be similar to the original Haegeum sounds. Furthermore, GPU accelerates the synthesis process enabling- real time music synthesis system development, supporting more sound effect, and multiple musical sound compositions.

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Low Loss Highly Birefringent Porous Core Fiber for Single Mode Terahertz Wave Guidance

  • Habib, Md. Ahasan;Anower, Md. Shamim
    • Current Optics and Photonics
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    • v.2 no.3
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    • pp.215-220
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    • 2018
  • A novel porous-core hexagonal lattice photonic crystal fiber (PCF) is designed and analyzed for efficient terahertz (THz) wave propagation. The finite element method based Comsol v4.2 software is used for numerical analysis of the proposed fiber. A perfectly matched layer boundary condition is used to characterize the guiding properties. Rectangular air-holes are used inside the core to introduce asymmetry for attaining high birefringence. By intentionally rotating the rectangular air holes of porous core structure, an ultrahigh birefringence of 0.045 and low effective material loss of $0.086cm^{-1}$ can be obtained at the operating frequency of 0.85 THz. Moreover, single-mode properties, power fraction in air core and confinement loss of the proposed PCF are also analyzed. This is expected to be useful for wideband imaging and telecom applications.

Case Study : BIM for Planning, Simulating, and Implementing Complex Site Logistics

  • Kim, JongHoon;Cohen, Fernando Castillo
    • Journal of KIBIM
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    • v.5 no.4
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    • pp.47-52
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    • 2015
  • This paper presents a case study using Building Information Modeling (BIM) for planning, simulating, and implementing complex site logistics in a headquarter office building construction project in Silver Spring, MD. As part of the project a prefabricated 92ft structural tube steel pedestrian connector bridge was installed between two adjacent buildings in the city of Silver Spring, MD. There were multiple significant challenges to deliver, offload, prepare, and install the connector bridge safely, on time, and with the minimum disturbances to the neighbors. BIM was of the foremost importance to visualize, simulate, analyze, improve, and communicate the site logistics plan from delivery to installation of the connector bridge. As a result of the effort, GC of the project was able to prepare a highly detailed plan, communicate it effectively to all stakeholders, and flawlessly execute the work as planned. This case study would provide a useful reference for contractors who are seeking a better planning method that enables generation of more accurate, implementable, optimized plans for complex site logistics.

Reaction Temperature md Electrical Properties of Pb(Mn1/3 Sb2/3) 0.08 Ti0.495 Zr0.425 $O_3$ ceramics by Hydrothermal Synthesis (수열합성에 의한 3성분계 PZT의 반응온도 및 전기적 성질)

  • Lee, Myeong-Gyo;Jeong, Su-Tae;Hong, Chang-Hui
    • Proceedings of the KIEE Conference
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    • 1985.07a
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    • pp.191-193
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    • 1985
  • Reaction temperature md piezoelectric properties of Pb(Mn1/3 Sb2/3)0.08 Ti0.495 Zr0.425 $O_3$ ceramics by hydrothermal synthesis method have been investigated. Sintering density and dielectric constant of sample increased with increasing of hydrothermal reaction temperature, while decreased rapidly above $240^{\circ}C$. Electromechanical coupling factor kp was almost constant at the reaction temperature $160^{\circ}-240^{\circ}C$.

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