• Title/Summary/Keyword: Non-equilibrium

Search Result 799, Processing Time 0.031 seconds

First-principles Calculations of the Phonon Transport in Carbon Atomic Chains Based on Atomistic Green's Function Formalism

  • Kim, Hu Sung;Park, Min Kyu;Kim, Yong-Hoon
    • Proceedings of the Korean Vacuum Society Conference
    • /
    • 2014.02a
    • /
    • pp.425.1-425.1
    • /
    • 2014
  • Thermal transport in nanomaterials is not only scientifically interesting but also technological important for various future electronic, bio, and energy device applications. Among the various computation approaches to investigate lattice thermal transport phenomena in nanoscale, the atomistic nonequilibrium Green's function approach based on first-principles density functional theory calculations appeared as a promising method given the continued miniaturization of devices and the difficulty of developing classical force constants for novel nanoscale interfaces. Among the nanometerials, carbon atomic chains, namely the cumulene (all-doulble bonds, ${\cdots}C=C=C=C{\cdots}$) and polyyne (alternation of single and triple bonds, ${\cdots}C{\equiv}C-C{\equiv}C{\cdots}$) can be considered as the extream cases of interconnction materials for nanodevices. After the discovery and realization of carbon atomic chains, their electronic transport properties have been widely studied. For the thermal transport properties, however, there have been few literatures for this simple linear chain system. In this work, we first report on the development of a non-equilibrium Green's function theory-based computational tool for atomistic thermal transport calculations of nanojunctions. Using the developed tool, we investigated phonon dispersion and transmission properties of polyethylene (${\cdots}CH2-CH2-CH2-CH2{\cdots}$) and polyene (${\cdots}CH-CH-CH-CH{\cdots}$) structures as well as the cumulene and polyyne. The resulting phonon dispersion from polyethylene and polyene showed agreement with previous results. Compared to the cumulene, the gap was found near the ${\Gamma}$ point of the phonon dispersion of polyyne as the prediction of Peierls distortion, and this feature was reflected in the phonon transmission of polyyne. We also investigated the range of interatomic force interactions with increase in the size of the simulation system to check the convergence criteria. Compared to polyethylene and polyene, polyyne and cumulene showed spatially long-ranged force interactions. This is reflected on the differences in phonon transport caused by the delicate differences in electronic structure.

  • PDF

Simulation on CO2 capture process using an Aqueous MEA solution (MEA 흡수제를 이용한 이산화탄소 포집 공정 모사)

  • Woo, Dae-Sik;Nam, Sung-Chan;Jeong, Soon-Kwan;Yoon, Yeo-Il
    • Journal of the Korea Academia-Industrial cooperation Society
    • /
    • v.13 no.1
    • /
    • pp.431-438
    • /
    • 2012
  • The $CO_2$ capture technology using an aqueous amine solution is studied widely now. The entire process consists of an absorber to remove carbon dioxide selectively and a regenerator to regenerate absorbent and acquire pure carbon dioxide. Because there are the complicated design variables that affect performance of the process, it needs optimization and analysis through modeling to make a commercially reliable process. In this study, the decomposition method was proposed to consider convergence problem and sensitivity analysis was executed for the carbon dioxide capture process variables. Non-equilibrium model was used in the simulation to get more realistic results and we designed optimized process with more than 95% purity and 90% recovery.

Nonlinear Deblurring Algorithm on Convex-Mirror Image for Reducing Occlusion (볼록거울 영상에서 일어나는 영상 겹침 극복을 위한 비선형적 디블러링 알고리즘)

  • Lee, In-Jung
    • The KIPS Transactions:PartA
    • /
    • v.13A no.5 s.102
    • /
    • pp.429-434
    • /
    • 2006
  • A CCTV system reduces some number of cameras if we use convex-mirror. In this case, convex-mirror Image distorted, we need transformation to flat images. In the center of mirror images, a transformed image has no distortion, but at near boundary image has plentiful distortion. This distortion is caused by occlusion of angled ray and diffraction. We know that the linear filtering approach cannot separate noise from signal where their Fourier spectra overlap. But using a non-linear discretization method, we shall reduce blurred noise. In this paper, we introduce the backward solution of nonlinear wave equation for reducing blurred noise and biased expansion of equilibrium contour. We propose, after applying the introduced method, and calculate with discretization method. To analysis the experimental result, we investigate to PSNR and get about 4dB better than current method.

The effects of Knee Joint Taping on the Lower Extremity Muscle Fatigue and Proprioception of the Normal Adult (슬관절 테이핑이 정상인의 근 피로와 고유수용성 감각에 미치는 효과)

  • Choi Young Ho;Joung Ho Bal;Yu Byong-Kyu;Kim Kyeong-Mi
    • The Journal of Korean Physical Therapy
    • /
    • v.14 no.4
    • /
    • pp.323-330
    • /
    • 2002
  • This study purposes at applying knee joint taping to preventing muscle fatigue. Twenty six subjects between the ages of 20s and 30s were randomly sampled among healthy males, with an average age of 26yr(range, 22 to 31yr). None of the subjects had a recent or remote history of significant lower extremity injury, No subjects had a history of central nervous system equilibrium problems. To develop muscle fatigue, Isokinetic exercise, which is a repetition of flexion and extension knee joint to $180^{\circ}$/sec, was performed 50 times per person. During the exercise, change of proprioception were measured by applying taping on both knee joints. Analysis has carried out by means of one-way ANOVA with repeated measures and independent t-test at the significance level of $\alpha$=0.05 to detect statistic significance. The results of this study were as follows: First, it was found that the generation of lower extremity muscle fatigue significant affects on proprioception (p < 0.05). Second, the application of taping to knee joint after the generation of lower extremity muscle fatigue significant affect proprioception (p < 0.05). Third, while continual exercise after the generation of muscle fatigue, taping group was significant differences in proprioceptive loss than non-taping group(p < 0.05).

  • PDF

Studies on Thermal Oxidation of Soybean Oil : Changes in Some Rheological Properties of a Soybean Oil during Thermal Oxidation (가열산화중의 콩기름의 유동학적 연구)

  • Shin, Ae-Ja;Kim, Dong-Hoon
    • Korean Journal of Food Science and Technology
    • /
    • v.17 no.3
    • /
    • pp.141-145
    • /
    • 1985
  • In the present study, an attempt was made to investigate the characteristics of rheological properties of a themally oxidized soybean oil. Various flow curves of the oxidized oils were obtained using a broad range of shear rate (452-904 rpm). The flow curves showed the characteristics of thixotropic flow, and as temperature decreased (range : 13-$37^{\circ}C$) they demonstrated increasingly stronger thixotropic properties. A thixotropic slope similar to the coefficient of thixotropy as applied to the rheological characteristics of the thermally oxidized soybean oil to predict its rheological properties quantitatively at an equilibrium state. The empirical formula with the thixotropic slope was found satisfactory in predicting the Non-Newtonian behavior of the thermally oxidized soybean oil.

  • PDF

저온 대기압 플라즈마의 생의학 응용

  • Lee, Hyeon-U;Lee, Jae-Gu
    • Proceedings of the Korean Vacuum Society Conference
    • /
    • 2011.02a
    • /
    • pp.265-267
    • /
    • 2011
  • 저온 대기압 플라즈마는 21세기에 들어 생의학 분야에 이용될 수 있는 새로운 도구로서 많은 관심을 받고 있다. 대기압 플라즈마는 고가의 진공 장비를 필요로 하지 않고 저전력 구동이 가능하기 때문에 저비용 구동이 가능하고 방전 장치와 전력공급 장치의 소형화에 매우 유리하다. 특히 저온 대기압 플라즈마는 고온의 전자와 저온의 이온 입자가 공존하는 열적 불평형(thermal non-equilibrium) 상태에 있기 때문에 플라즈마의 저온 특성은 유지하면서도 (${\sim}30^{\circ}C$) 물리/화학적 반응성은 매우 높아 그 응용 분야가 매우 넓다. 플라즈마의 다양한 생의학 분야 응용 가운데 세포의 사멸 유발 또는 생장 촉진, 살균/멸균, 지혈, 상처 치유 등에 저온 대기압 플라즈마가 매우 뛰어난 효능을 보인다는 것이 국내외의 다양한 연구를 통해 밝혀지고 있다 [1]. 20 kHz 정현파로 구동되는 플라즈마 장치를 이용한 암 세포 제거 실험에서 플라즈마 처리 효과를 증대시키기 위해 항체-금나노입자 중합체를 암 세포에 주입시켰다 (그림 1(a)). 그 결과 세포의 사멸율은 74%로서 플라즈마 또는 플라즈마-금나노입자만을 처리한 경우에 비하여 사멸율이 매우 높게 나타났다 (그림 1(b)). 이를 통해 암세포 선택성을 가진 항체-금나노입자 중합체와 플라즈마 처리 기술을 융합한 암 세포의 선택적 사멸 유발 기술의 개발 가능성이 열렸다. 또한 플라즈마 처리를 통해 일어나는 세포의 자멸사 기작이 Cytochrome C의 방출 이후 이어지는 Caspase-3의 활성화 경로와 관계가 있음이 밝혀졌다 (그림 1(c)). 치아 미백은 최근 부상하고 있는 저온 대기압 플라즈마의 새로운 응용 분야이다 [5-6]. 대기압에서 동작하는 헬륨 플라즈마 제트를 미백제(과산화수소)와 함께 발치된 치아에 적용하였을 때 (그림 2(a)) 미백제만을 사용하였을 경우에 비해 치아의 색상 변화가 2배 이상 크게 나타나는 것을 확인하였다 (그림 2(b)). 이처럼 최근 그 범위가 크게 넓어지고 있는 저온 대기압 플라즈마의 생의학 응용 기술의 최적화를 위해서는, 다양한 생의학 응용 분야에 따라 요구되는 플라즈마의 특성 및 응용별 기저 기 작에 대한 이해와 연구가 필요하다.

  • PDF

Electron Trapping and Transport in Poly(tetraphenyl)silole Siloxane of Quantum Well Structure

  • Choi, Jin-Kyu;Jang, Seung-Hyun;Kim, Ki-Jeong;Sohn, Hong-Lae;Jeong, Hyun-Dam
    • Proceedings of the Korean Vacuum Society Conference
    • /
    • 2012.02a
    • /
    • pp.158-158
    • /
    • 2012
  • A new kind of organic-inorganic hybrid polymer, poly(tetraphenyl)silole siloxane (PSS), was invented and synthesized for realization of its unique charge trap properties. The organic portions consisting of (tetraphenyl)silole rings are responsible for electron trapping owing to their low-lying LUMO, while the Si-O-Si inorganic linkages of high HOMO-LUMO gap provide the intrachain energy barrier for controlling electron transport. Such an alternation of the organic and inorganic moieties in a polymer may give an interesting quantum well electronic structure in a molecule. The PSS thin film was fabricated by spin-coating of the PSS solution in THF organic solvent onto Si-wafer substrates and curing. The electron trapping of the PSS thin films was confirmed by the capacitance-voltage (C-V) measurements performed within the metal-insulator-semiconductor (MIS) device structure. And the quantum well electronic structure of the PSS thin film, which was thought to be the origin of the electron trapping, was investigated by a combination of theoretical and experimental methods: density functional theory (DFT) calculations in Gaussian03 package and spectroscopic techniques such as near edge X-ray absorption fine structure spectroscopy (NEXAFS) and photoemission spectroscopy (PES). The electron trapping properties of the PSS thin film of quantum well structure are closely related to intra- and inter-polymer chain electron transports. Among them, the intra-chain electron transport was theoretically studied using the Atomistix Toolkit (ATK) software based on the non-equilibrium Green's function (NEGF) method in conjunction with the DFT.

  • PDF

A Sudden Increase in Combustion Pressure of Gas Generator of Ducted Rocket by Thermal Choking (열 질식에 의한 덕티드 로켓 가스 발생기의 연소 압력 상승)

  • Kim, Doyeong;Shin, Kyung-Hoon;Lee, Changjin
    • Journal of the Korean Society for Aeronautical & Space Sciences
    • /
    • v.43 no.8
    • /
    • pp.684-691
    • /
    • 2015
  • A sudden increase in combustion pressure is observed in the ducted rocket combustion test equipped with pipe shaped and converging nozzle exhaust tubes. This study aims to understand the physical mechanism of abrupt change in combustion pressure using thermal choking in the exhaust tube. Results confirmed that the thermal choking of the flow inside the exhaust tube was responsible for the sudden increase in combustion pressure. Also, high pressure exponent of solid propellants is critical sensitive to the occurrence of thermal choking exhaust pipe. Additionally, numerical simulation showed that the sudden increase in combustion pressure was less possible in diverging pipe because thermal choking is more reluctant to occur.

Mucoadhesion, Swelling and Drug Release Characteristics of Hydroxypropylcellulose/Carbopol Solid Dispersions (히드록시프로필셀룰로오스/카르보폴 고체분산체의 점막부착성과 팽윤 및 약물방출특성)

  • Kim, Sang-Heon;Yang, Su-Geun;Shin, Dong-Sun;Lee, Min-Suk;Choi, Young-Wook
    • Journal of Pharmaceutical Investigation
    • /
    • v.24 no.3
    • /
    • pp.155-165
    • /
    • 1994
  • Some mucoadhesive polymers such as hydroxypropylcelluose (HPC) and carbopol-934 (CP) have been employed for the preparation of mucoadhesive polymeric systems, and their physical properties including mucoadhesion, swelling, and drug release were evaluated. A new simple experimental technique that can quantitatively measure the bioadhesive properties of various polymeric systems has been developed by the methods of detachment force test. As the polymeric systems, the discs of freeze-dried HPC/CP solid dispersions were prepared. The mucosa used in these tests were upper, middle, and lower parts of small intestine of male rats weighing $300{\sim}350\;g$. Detachment forces were increased as the mole fraction of CP increased in discs of HPC/CP solid dispersions. In the points of intestinal site dependence of mucoadhesion, the solid dispersions revealed non-specific mucoadhesion to the intestine. Swelling and drug release characteristics of mucoadhesive polymeric systems were studied extensively to find out the feasibility for the oral controlled delivery systems. Swelling ratio, expressed as the final height/initial height, has been determined in various pH buffer solutions. Hydrochlorothiazide (HCT) was employed as a model drug for release study. Apparent swelling and drug release rate constants, $K_s$ and $K_r$ respectively, were obtained from the square-root time plot of either swelling ratio or released amount of drug, particularly for the time periods before reaching the equilibrium. As a result, the swelling ratio of HPC/CP solid dispersions was increased as the weight percentage of CP increased. Similarly, the release of HCT from the solid dispersions was dependent on pH changes and CP contents, resulted in the slower release of HCT with the increases of pH and CP contents.

  • PDF

Selection of an Optimal Entrainer for Extractive Distillation of Azeotropic Acetone/Methanol System (Acetone/Methanol계 공비물의 추출증류를 위한 최적 Entrainer 선정)

  • Lee, JoonMan;Ahn, WonSool
    • Applied Chemistry for Engineering
    • /
    • v.19 no.5
    • /
    • pp.539-546
    • /
    • 2008
  • A study on the selection of an optimal entrainer as the third component among water, aniline, 1,3-diethylbenzene, furfural, and MEK, for the extractive distillation of an azeotropic acetone/methanol system was performed using both the entrainer effect vapor-liquid equilibrium (VLE) and the relative volatility. In the case of water as the entrainer, a VLE curve without azeotropic point in the range of water composition from 0.3 up to 0.7 mole fraction could be obtained by both the experiment and the calculation using modified-UNIFAC model. For aniline and 1,3-diethylbenzene, however, VLE curve without azeotropic point could be obtained only at compositions above 0.7 mole fraction, which exhibited that they could be hardly utilized as the entrainer. Moreover, both furfural and MEK were verified to be improper entrainer since they formed an azeotropic phase. Relative volatility of water showed greater than 1.0 and increased with compositions, while those of the others decreased non-linearly, exhibiting that only water could be utilized as the proper entrainer for the extractive distillation of azeotropic acetone/methanol system.