• Advances in nano research
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• v.12 no.3
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• pp.253-261
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• 2022

Numerical modelling of an integrated Carbon NanoTube (CNT) membrane is only achievable if probable deformations and realistic alterations from a perfect CNT membrane are taken into account. Considering the possible forms of CNTs, bending is one of the most probable deformations in these high aspect ratio nanostructures. Hence, investigation of effect associated with bent CNTs are of great interest. In the present study, molecular dynamics simulation is utilized to investigate fluid flow dynamics in deformed CNT membranes, specifically when the tube cross section is not affected. Bending in armchair (5,5) CNT was simulated using Tersoff potential, prior to flow rate investigation. Also, to study effect of inclined entry of the CNT to the membrane wall, argon flow through generated inclined CNT membranes is examined. The results show significant variation in both cases, which can be interpreted as counter-intuitive, since the cross section of the CNT was not deformed in either case. The distribution of fluid-fluid and fluid-wall interaction potential is investigated to explain the anomalous behavior of the flow rate versus bending angle.

• Transactions of the Korean Society of Mechanical Engineers A
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• v.30 no.7 s.250
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• pp.809-815
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• 2006

The temperature and loading-rate dependence on the mechanical behavior of single-walled carbon nanotubes under axial compression and torsion is examined with classical molecular dynamics simulation. The critical buckling is found to depend on the temperature and loading-rate. The yielding under torsion is also found to depend on the temperature and loading-rate. But it is shown that the compression and torsional stiffness are independent of the varied temperatures and loading-rates.

• Journal of the Semiconductor & Display Technology
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• v.9 no.1
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• pp.1-4
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• 2010

We investigated a linear carbon nanotube motor serving as the key building block for nano-scale motion control by using molecular dynamics simulations. This linear nano-motor, is based on the electrostatically telescoping multi-walled carbon-nanotube with ultralow intershell sliding friction, is controlled by the gate potential with the capacitance feedback sensing. The resonant harmonic peaks are induced by the interference between the driving frequencies and its self-frequency. The temperature is very important factor to operate this nanomotor.

• Journal of the Semiconductor & Display Technology
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• v.11 no.2
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• pp.81-84
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• 2012

Cantilevered carbon-nanotube-resonator was investigated via classical molecular dynamics simulations. The resonator system is including the attached nanocluster. A nanocluster with a finite length was modeling by some atomic rings. The mass of the nanocluster was equally distributed on the carbon atoms, composed of the atomic rings. The effective density factor, which could be considered as the single parameter affecting the resonance frequency shift, was significantly influenced by the mass, the position, and the linear density of the attached nanocluster. The linear density of the attached nanocluster was an important parameter to analyze the vibrational behavior of the CNT-resonator, including the attached nanocluster.

• Advances in Computational Design
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• v.8 no.1
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• pp.77-96
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• 2023

Calculating size-dependent mechanical properties of the nano-scale materials usually involves cumbersome numerical and theoretical works. In this paper, we aim to present a closed-form relation to calculate the length-dependent Young's modulus of carbon nanotubes (CNTs) based on nonlocal elasticity theory. In this regard, a single wall carbon nanotube (SWCNT) is considered as a rod structure and the governing nonlocal equations are developed under uniaxial tensile load. The equations are solved using analytical methods and strain distribution, total displacement and the size-dependent equivalent Young's modulus are obtained. Further, the results are compared with the molecular dynamics results from the literature. The outcome indicates that the calculated relations are coincident with the molecular dynamics results.

• Proceedings of the Korea Water Resources Association Conference
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• 2022.05a
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• pp.462-462
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• 2022

Wetlands are one of the most vital natural habitats on the planet. India is incredibly blessed to have a number of multifunctional wetland ecosystems. Wetlands, in addition to their functional importance, can act as sources or sinks for greenhouse gases (GHGs) depending on their intrinsic factors. Carbon (CO2) and Methane (CH4) are the major greenhouse gases (GHG's) emitted in wetlands. It is demonstrated that, despite having 4.6 percent of its area covered by natural or man-made wetlands, being home to a large number of wetlands, and being the world's second largest cultivator of paddy, India's wetlands, including paddy fields that are intermittently flooded as typical wetlands, have been very poorly studied in terms of GHG emissions. The purpose of this paper is to examine the status of Indian wetlands and wetlands in terms of CH4 and CO2 emissions. The present study also reviews various literature to provide the equations, parameters that are required for estimating carbon and methane and some of the best strategies for conserving carbon in wetlands. The findings suggest that both non-manipulative and manipulative measures can be used to improve Carbon Sequestration (CS). Non-manipulative measures aim to improve CS by increasing the spatial extent of wetlands, whereas manipulative measures aim to change the characteristics of specific wetland components that influence CS. Uncertainty in carbon dynamics projections under changing environmental conditions is caused by a number of Knowledge gaps: i) There is a lack of knowledge on how organic matter mineralizes and partitions into carbon dioxide, methane, and dissolved organic carbon, ii) With the notable exception of methane dynamics, models that represent the dynamic interaction of processes and their controls have yet to be established. As a result, more research is needed to fully understand the importance of wetlands in terms of GHG emissions and carbon sequestration in India.

• Proceedings of the IEEK Conference
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• 2001.06b
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• pp.169-172
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• 2001

We have investigated the mechanical deformation of carbon nanotube using TBMD(tight-binding molecular dynamics) simulation. We have studied four carbon nanotubes, armchair (6, 6), (7, 7), (8, 8), and (9, 9) carbon nanotubes whose length were same. As a result of study, we have known that the nanotube's yield force increases with incresing their diameter. It is similar between (6, 6) and (8, 8) CNT's force-strain curves. Also force-strain curve between (7,7) and (9, 9) CNTs are nearly same.

• The Korean Journal of Ecology
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• v.27 no.4
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• pp.217-224
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• 2004

The purpose of this study is to clarify the effects of the conversion of the forest management type from a natural deciduous broad-leaved forest to an artificial evergreen coniferous forest based on organic matter dynamics. We investigated the amounts and carbon contents of the forest floor and the litterfall, soil chemical characteristics and cellulose decomposition rates in the natural deciduous broad-leaved forest and adjacent artificial evergreen coniferous forest. In the artificial evergreen coniferous forest were planted Japanese cypress (Chamaecyparis obtusa) on the upper slope and Japanese cedar (Cryptomeria japonica) on the lower slope. The soil carbon and nitrogen contents, CEC and microbial activity had decreased due to the conversion of the forest management type from a natural deciduous broad-leaved forest to an artificial Japanese cypress forest, and were almost the same for the conversion to a Japanese cedar forest. Under the same conditions, it is considered that the soil fertility was different by planting specific tree species because the organic matter dynamics were changed by them.

• Bulletin of the Korean Chemical Society
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• v.31 no.11
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• pp.3195-3200
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• 2010

We have performed molecular dynamics simulations of atomistic models of $C_{60}$ molecules and DMPC bilayer membranes to study the static and dynamic effects of carbon nanoparticles on biological membranes. All four $C_{60}$-membrane systems were investigated representing dilute and concentrated solutions of $C_{60}$ residing either inside or outside the membrane. The concentrated $C_{60}$ molecules in water phase start forming an aggregated cluster. Due to its heavy mass, the cluster tends to adhere on the surface of the bilayer membrane, hindering both translational and rotational diffusion of individual $C_{60}$. On the other hand, once $C_{60}$ molecules accumulate inside the membrane, they are well dispersed in the central region of the bilayer membrane. Because of the homogeneous dispersion of $C_{60}$ inside the membrane, each leaflet is pushed away from the center, making the bilayer membrane thicker. This thickening of the membrane provides more room for both translational and rotational motions of $C_{60}$ inside the membrane compared to that in the water region. As a result, the dynamics of $C_{60}$ inside the membrane becomes faster with increasing its concentration.

• Proceedings of the Korean Magnestics Society Conference
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• 2003.12a
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• pp.354-354
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• 2003