• Title/Summary/Keyword: transition density

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Rh-doped carbon nanotubes as a superior media for the adsorption of O2 and O3 molecules: a density functional theory study

  • Cui, Hao;Zhang, Xiaoxing;Yao, Qiang;Miao, Yulong;Tang, Ju
    • Carbon letters
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    • v.28
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    • pp.55-59
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    • 2018
  • Transition-metal-embedded carbon nanotubes (CNTs) have been accepted as a novel type of sensing material due to the combined advantage of the transition metal, which possesses good catalytic behavior for gas interaction, and CNTs, with large effective surface areas that present good adsorption ability towards gas molecules. In this work, we simulate the adsorption of $O_2$ and $O_3$ onto Rh-doped CNT in an effort to understand the adsorbing behavior of such a surface. Results indicate that the proposed material presents good adsorbing ability and capacities for these two gases, especially $O_3$ molecules, as a result of the relatively large conductivity changes. The frontier molecular orbital theory reveals that the conductivity of Rh-CNT would undergo a decrease after the adsorption of two such oxidizing gases due to the lower electron activity and density of this media. Our calculations are meaningful as they can supply experimentalists with potential sensing material prospects with which to exploit chemical sensors.

A Unified Analysis of Low-Power and High-Power Density Laser Welding Processes with Evolution of Free Surface (자유표면변형을 고려한 저에너지밀도 및 고에너지밀도 레이저 용접공정 통합 해석)

  • Ha Eung-Ji;Kim Woo-Seung
    • Transactions of the Korean Society of Mechanical Engineers B
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    • v.29 no.10 s.241
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    • pp.1111-1118
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    • 2005
  • In this study, a unified numerical investigation has been performed on the evolution of weld pool and key-hole geometry during low-power and high-power density laser welding. Unsteady phase-change heat transfer and fluid flow with the surface tension are examined. The one-dimensional vaporization model is introduced to model the overheated surface temperature and recoil pressure during high-power density laser welding. It is shown that Marangoni convection in the weld pool is dominant at low-power density laser welding, and the keyhole with thin liquid layer and the hump are visible at high-power density laser welding. It is also shown that the transition from conduction welding to penetration welding fur iron plate exists when the laser power density is about $10^6W/Cm^2$.

Refractive Indices and Densities of B2O3-Al2O3-SiO2 Glass System for Photosensitive Barrier Ribs of Plasma Display Panel (플라즈마 디스플레이 패널의 감광성 격벽을 위한 B2O3-Al2O3-SiO2 유리계의 굴절률과 밀도)

  • Won, Ju-Yeon;Hwang, Seong-Jin;Lee, Sang-Ho;Kim, Hyung-Sun
    • Journal of the Korean Institute of Electrical and Electronic Material Engineers
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    • v.22 no.6
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    • pp.506-511
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    • 2009
  • For the application of the photosensitive barrier ribs with optimal properties such as glass transition temperature, refractive index and coefficient thermal expansion, the boro-silicate glasses was studied. The glass transition temperature, coefficient thermal expansion, and refractive index of the glasses based on the $B_2O_3-Al_2O_3-Al_2O_3-SiO_2$ glass system have been investigated with the different ratio of BaO/$Na_2O$ and $B_2O_3/Na_2O$. Increasing the ratio of $B_2O_3/Na_2O$ was led to the increase of coefficient thermal expansion and the decrease of glass transition temperature. The increase of refractive index of boro-silicate glasses increased with the density of glasses. We suggest the empirical equation for the prediction of refractive index with the glass density, $n=0.123{\rho}+1.182$ with 0.042 as the standard deviation in the boro-silicate glass system. The aim of the present paper is to give a basic result of the thermal and optical properties for designing the composition of photosensitive barrier ribs in PDP.

Effect of internal stability on the failure properties of gravel-sand mixtures

  • Zhongsen Li;Hanene Souli;Jean-Marie Fleureau;Jean-Jacques Fry;Tariq Ouahbi;Said Taibi
    • Computers and Concrete
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    • v.31 no.5
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    • pp.395-403
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    • 2023
  • The paper investigates the effect of two parameters - sand content (SC) and grain migration during shearing - on the mechanical properties of gravel-sand mixtures. Consolidated undrained (CU) triaxial tests were carried out on eight series of mixtures containing gravel (1<d<16 mm) and sand (0.1<d<1 mm). The prepared mixtures have sand contents of 0, 10, 15, 20, 40, 54, 94 and 100%, and a relative density of 60%. The transition sand content (TSC) is experimentally defined and marks the transition from gravel-driven to sand-driven behavior. For SC<TSC, the dry density of the mixture increases with SC. This induces an increase in undrained peak strength and dilative trend. The slope and position of the critical state line (CSL) are also deeply dependent on SC. At SC=TSC, the mixtures exhibit the largest dry density and yield the highest undrained peak strength and the largest dilative trend. During shearing, large internal migration of grains was observed at the TSC, causing heterogeneity in the sample. Analysis of the CSL deduced from the final points of the triaxial tests shows that, at the TSC, failure appears to correspond to the behavior of the coarsest fraction of the soil. This fraction is located in the upper part of the sample, where the sand particles had been eliminated by suffusion. On the other hand, in the more stable materials, the CSL is consistent with the bulk grain size distribution of the soil.

Probing the Conditions for the Atomic-to-Molecular Transition in the Interstellar Medium

  • Park, Gyueun;Lee, Min-Young
    • The Bulletin of The Korean Astronomical Society
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    • v.46 no.1
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    • pp.50.2-51
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    • 2021
  • Stars form exclusively in cold and dense molecular clouds. To fully understand star formation processes, it is hence a key to investigate how molecular clouds form out of the surrounding diffuse atomic gas. With an aim of shedding light in the process of the atomic-to-molecular transition in the interstellar medium, we analyze Arecibo HI emission and absorption spectral pairs along with TRAO/PMO 12CO(1-0) emission spectra toward 58 lines of sight probing in and around molecular clouds in the solar neighborhood, i.e., Perseus, Taurus, and California. 12CO(1-0) is detected from 19 out of 58 lines of sight, and we report the physical properties of HI (e.g., central velocity, spin temperature, and column density) in the vicinity of CO. Our preliminary results show that the velocity difference between the cold HI (Cold Neutral Medium or CNM) and CO (median ~ 0.7 km/s) is on average more than a factor of two smaller than the velocity difference between the warm HI (Warm Neutral Medium or WNM) and CO (median ~ 1.7 km/s). In addition, we find that the CNM tends to become colder (median spin temperature ~ 43 K) and abundant (median CNM fraction ~ 0.55) as it gets closer to CO. These results hints at the evolution of the CNM in the vicinity of CO, implying a close association between the CNM and molecular gas. Finally, in order to examine the role of HI in the formation of molecular gas, we compare the observed CNM properties to the theoretical model by Bialy & Sternberg (2016), where the HI column density for the HI-to-H2 transition point is predicted as a function of density, metallicity, and UV radiation field. Our comparison shows that while the model reproduces the observations reasonably well on average, the observed CNM components with high column densities are much denser than the model prediction. Several sources of this discrepancy, e.g., missing physical and chemical ingredients in the model such as the multi-phase ISM, non-equilibrium chemistry, and turbulence, will be discussed.

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Elemental Composition of the Soils using LIBS Laser Induced Breakdown Spectroscopy

  • Muhammad Aslam Khoso;Seher Saleem;Altaf H. Nizamani;Hussain Saleem;Abdul Majid Soomro;Waseem Ahmed Bhutto;Saifullah Jamali;Nek Muhammad Shaikh
    • International Journal of Computer Science & Network Security
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    • v.24 no.6
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    • pp.200-206
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    • 2024
  • Laser induced breakdown spectroscopy (LIBS) technique has been used for the elemental composition of the soils. In this technique, a high energy laser pulse is focused on a sample to produce plasma. From the spectroscopic analysis of such plasma plume, we have determined the different elements present in the soil. This technique is effective and rapid for the qualitative and quantitative analysis of all type of samples. In this work a Q-switched Nd: YAG laser operating with its fundamental mode (1064 nm laser wavelength), 5 nanosecond pulse width, and 10 Hz repetition rate was focused on soil samples using 10 cm quartz lens. The emission spectra of soil consist of Iron (Fe), Calcium (Ca), Titanium (Ti), Silicon (Si), Aluminum (Al), Magnesium (Mg), Manganese (Mn), Potassium (K), Nickel (Ni), Chromium (Cr), Copper (Cu), Mercury (Hg), Barium (Ba), Vanadium (V), Lead (Pb), Nitrogen (N), Scandium (Sc), Hydrogen (H), Strontium (Sr), and Lithium (Li) with different finger-prints of the transition lines. The maximum intensity of the transition lines was observed close to the surface of the sample and it was decreased along the axial direction of the plasma expansion due to the thermalization and the recombination process. We have also determined the plasma parameters such as electron temperature and the electron number density of the plasma using Boltzmann's plot method as well as the Stark broadening of the transition lines respectively. The electron temperature is estimated at 14611 °K, whereas the electron number density i.e. 4.1 × 1016 cm-3 lies close to the surface.

A Parametric Study on the Glass Transition and Mechanical Properties of CNT Based Nanocomposites Using Molecular Dynamics Simulation (분자동역학 전산모사를 이용한 나노튜브 강화 복합재료의 유리전이와 기계적 물성에 관한 파라메트릭 연구)

  • Yang, Seung-Hwa;Cho, Maeng-Hyo
    • Proceedings of the Computational Structural Engineering Institute Conference
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    • 2007.04a
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    • pp.421-426
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    • 2007
  • A parametric study to investigate the effects of composition variables on the glass transition and mechanical properties of CNT-based nanocomposites was performed using molecular dynamics simulations. In this study, matrix chain length and CNT length were chosen as the candidate characteristic parameters. In order to understand the effect of both parameters in detail, three sample sets having different chain lengths with the same CNT configuration and two sample sets having different CNT lengths with same chain length were prepared. Other parameters such as volume fraction and density were fixed to enable rigorous comparisons. Amorphous polyethylene is used as matrix polymer and (10,0) zigzag CNT is embedded into the matrix to reinforce polymer matrix. As a result, longer polymer chain length of matrix solely increased glass transition temperature but no reinforcing enhancement was observed. CNT length showed similar increase with little enhancement of elastic modulus. In addition to this, nanocomposites showed temperature-dependent elastic modulus jump passing thorough the glass transition region agrees well with experimental results.

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Dynamics of a Globular Protein and Its Hydration Water Studied by Neutron Scattering and MD Simulations

  • Kim, Chan-Soo;Chu, Xiang-Qiang;Lagi, Marco;Chen, Sow-Hsin;Lee, Kwang-Ryeol
    • Proceedings of the Korean Vacuum Society Conference
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    • 2011.02a
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    • pp.21-21
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    • 2011
  • A series of Quasi-Elastic Neutron Scattering (QENS) experiments helps us to understand the single-particle (hydrogen atom) dynamics of a globular protein and its hydration water and strong coupling between them. We also performed Molecular Dynamics (MD) simulations on a realistic model of the hydrated hen-egg Lysozyme powder having two proteins in the periodic box. We found the existence of a Fragile-to-Strong dynamic Crossover (FSC) phenomenon in hydration water around a protein occurring at TL=$225{\pm}5K$ by analyzing Intermediate Scattering Function (ISF). On lowering of the temperature toward FSC, the structure of hydration water makes a transition from predominantly the High Density Liquid (HDL) form, a more fluid state, to predominantly the Low Density Liquid (LDL) form, a less fluid state, derived from the existence of a liquid?liquid critical point at an elevated pressure. We showed experimentally and confirmed theoretically that this sudden switch in the mobility of the hydration water around a protein triggers the dynamic transition (so-called glass transition) of the protein, at a temperature TD=220 K. Mean Square Displacement (MSD) is the important factor to show that the FSC is the key to the strong coupling between a protein and its hydration water by suggesting TL${\fallingdotseq}$TD. MD simulations with TIP4P force field for water were performed to understand hydration level dependency of the FSC temperature. We added water molecules to increase hydration level of the protein hydration water, from 0.30, 0.45, 0.60 and 1.00 (1.00 is the bulk water). These confirm the existence of the FSC and the hydration level dependence of the FSC temperature: FSC temperature is decreased upon increasing hydration level. We compared the hydration water around Lysozyme, B-DNA and RNA. Similarity among those suggests that the FSC and this coupling be universal for globular proteins, biopolymers.

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MIT characteristic of VO2 thin film deposited by ALD using vanadium oxytriisopropoxide precursor and H2O reactant

  • Shin, Changhee;Lee, Namgue;Choi, Hyeongsu;Park, Hyunwoo;Jung, Chanwon;Song, Seokhwi;Yuk, Hyunwoo;Kim, Youngjoon;Kim, Jong-Woo;Kim, Keunsik;Choi, Youngtae;Seo, Hyungtak;Jeon, Hyeongtag
    • Journal of Ceramic Processing Research
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    • v.20 no.5
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    • pp.484-489
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    • 2019
  • VO2 is an attractive candidate as a transition metal oxide switching material as a selection device for reduction of sneak-path current. We demonstrate deposition of nanoscale VO2 thin films via thermal atomic layer deposition (ALD) with H2O reactant. Using this method, we demonstrate VO2 thin films with high-quality characteristics, including crystallinity, reproducibility using X-ray diffraction, and X-ray photoelectron spectroscopy measurement. We also present a method that can increase uniformity and thin film quality by splitting the pulse cycle into two using scanning electron microscope measurement. We demonstrate an ON / OFF ratio of about 40, which is caused by metal insulator transition (MIT) of VO2 thin film. ALD-deposited VO2 films with high film uniformity can be applied to next-generation nonvolatile memory devices with high density due to their metal-insulator transition characteristic with high current density, fast switching speed, and high ON / OFF ratio.

Establishment of the Measurement Model about the Adequate Urban Development Density using System Dynamics (시스템다이내믹스를 활용한 도시개발밀도의 적정성 평가 모델 구축 연구)

  • 전유신;문태훈
    • Proceedings of the Korean System Dynamics Society
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    • 2003.08a
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    • pp.1-24
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    • 2003
  • The purpose of this paper was developing a development density control model for urban growth management, using system dynamics modeling. The density control model was developed to see how urban growth, transition, and decay occur depending on the interaction among population, houses, industry structure, land and urban infrastructure such as road, water supply, and sewage treatment facilities. Suggesting adequate level of development density control using the model was another purpose of this paper. The model was applied to An'yang city to estimate the maximum number of population, industry structures, houses, and cars that can be adequately sustained with the current An'yang city's infrastructur capacity. The computer simulation results shows that the city is overpopulated by some 90,000 people. To reduce the population to the adequate level that the current urban infrastructure can sustain, the current city regulation on floor area ratio are needed to be strengthened at least 20 to 35%.

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