• Title/Summary/Keyword: 방사형 짝 분포함수

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Investigation of Thermal Fusion Bonding and Separation of PMMA Substrates by using Molecular Dynamics Simulations (분자동역학을 이용한 PMMA 평판의 열접합 및 분리에 대한 연구)

  • Yi, Taeil
    • Journal of the Korean Society of Manufacturing Process Engineers
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    • v.17 no.5
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    • pp.111-116
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    • 2018
  • Thermal fusion bonding is a method to enclose open microchannels fabricated on polymer chips for use in lab-on-a-chip (LOC) devices. Polymethyl methacrylate (PMMA) is utilized in various biomedical-microelectromechanical systems (bio-MEMS) applications, such as medical diagnostic kits, biosensors, and drug delivery systems. These applications utilize PMMAs biochemical compatibility, optical transparency, and mold characteristics. In this paper, we elucidate both the conformational entanglement of PMMA molecules at the contact interfacial regime, and the qualitative nature of the thermal fusion bonding phenomena through systematic molecular dynamics simulations.

A Study of Nano-particle Distributions near a Heated Substrate using Molecular Dynamics Simulations (분자동역학을 이용한 열원 주변에서의 나노입자의 분포에 대한 연구)

  • Yi, Taeil
    • Journal of the Korean Society of Manufacturing Process Engineers
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    • v.18 no.5
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    • pp.60-65
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    • 2019
  • Since nanofluids (NFs), which are a mixture of a small amount of nanoparticles and a bulk liquid solvent, were first proposed by Stephen Choi at the Argonne National Lab in 1995, they have been considered for use in many technical studies of power cooling systems and their practical application due to their high thermal conductivity and heat transfer coefficients compared to conventional coolants. Although nanofluids are a well-known form of engineering fluid that show great promise for use in future cooling systems, their underlying physics as demonstrated in experiments remain unclear. One proven method of determining the heat transfer performance of nanofluids is measuring the concentration of nanoparticles in a mixture. However, it is experimentally inefficient to build testbeds to systematically observe particle distributions on a nanoscale. In this paper, we demonstrate the distribution of nanoparticles under a temperature gradient in a solution using molecular dynamics simulations. First, temperature profiles based on substrate temperature are introduced. Following this, the radial pair distribution functions of pairs of nanoparticles, solvents, and substrates are calculated. Finally, the distribution of nanoparticles in different heating regions is determined.

Investigation of Temperature-Dependent Microscopic Morphological Variation of PEEK Powder for a 3D Printer using Dissipative Particle and Molecular Dynamics Simulations (소산입자동역학과 분자동역학을 이용한 3D 프린터용 PEEK 분말에 대한 온도에 따른 미시적 구조변화에 대한 연구)

  • Kim, Namwon;Yi, Taeil
    • Journal of the Korean Society of Manufacturing Process Engineers
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    • v.17 no.5
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    • pp.117-122
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    • 2018
  • 3D printing technology and its applications have grown rapidly in academia and industry. We consider a 3D printing system designed for the selective laser sintering (SLS) method, which is one of the powder bed fusion (PBF) techniques to build up the final product by layering sintered powder slices. Thermal distortion of printing products is a critical challenge in 3D printing. This study investigates temperature-dependent conformational behaviors of 3D printed samples of sintered poly-ether-ether-ketone (PEEK) powders using molecular dynamics simulations. The wear and chemical resistance properties of PEEK are understood, as it is a well-known biocompatible material used for implants. However, studies on physical phenomena at nanoscale in PEEK are rarely published in public. We simulate dissipative particle dynamics to elucidate how a cavity regime forms in PEEK at different system temperatures. We demonstrate how PEEK structures deform subject to the system temperature distribution.