• Transactions on Electrical and Electronic Materials
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• v.5 no.6
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• pp.227-232
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• 2004

We investigated a nonvolatile nanomemory element based on boron nitride nanopeapods using molecular dynamics simulations. The studied system was composed of two boron-nitride nanotubes filled Cu electrodes and fully ionized endo-fullerenes. The two boron-nitride nanotubes were placed face to face and the endo-fullerenes came and went between the two boron-nitride nanotubes under alternatively applied force fields. Since the endo-fullerenes encapsulated in the boron-nitride nanotubes hardly escape from the boron-nitride nanotubes, the studied system can be considered to be a nonvolatile memory device. The minimum potential energies of the memory element were found near the fullerenes attached copper electrodes and the activation energy barrier was $3{\cdot}579 eV$. Several switching processes were investigated for external force fields using molecular dynamics simulations. The bit flips were achieved from the external force field of above $3.579 eV/{\AA}$.

• Journal of the Korean Institute of Electrical and Electronic Material Engineers
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• v.17 no.2
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• pp.127-137
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• 2004

We have investigated the structures, the energetic, and the nanomechanics of the single-wall boron-, aluminum-, and gallium-nitride nanotubes using atomistic simulations based on the Tersoff-type potential. The Tersoff-type potential for the III-nitride materials has effectively described the properties of the III-nitride nanotubes. Nanomechanics of boron-, aluminum-, and gallium-nitride nanotubes under the compression loading has been investigated and their Young's moduli were calculated.

• Prospectives of Industrial Chemistry
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• v.20 no.4
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• pp.1-20
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• 2017

질화붕소나노튜브(BNNT: Boron Nitride Nanotubes)는 근래에 들어 전 세계적으로 많은 주목을 받고 있는 나노신소재이다. CNT와 유사한 기계적 특성과 열전도, 열팽창 특성을 가지고 있지만 동시에 세라믹의 특성도 가지고 있어 열적/화학적 안정에 있어서는 CNT와 비교하여 매우 우수하다. 특히 BNNT를 구성하고 있는 붕소는 열중성자를 흡수할 수 있는 능력이 CNT를 구성하고 있는 탄소와 비교하여 20만 배나 높기 때문에, 우수한 기계적 특성을 이용한 경량화와 방사선 차폐능을 동시에 보유할 수 있는 미래 우주공학 물질로 매우 유용하다. 그러나 제조하는데 상대적으로 많은 에너지가 필요하고, 전 세계적으로 아직 대량생산이 이루어지지 않고 있으며, 제조 시 생성되는 불순물의 양이 많은 것이 단점이다. 또한 BNNT를 정제하는 것은 매우 어려워 산업적 응용은 아직 제한적이라 할 수 있지만, BNNT가 CNT와 세라믹의 특성을 동시에 보유하고 있다는 물질의 우수성과 활발한 연구개발 활동을 감안하면, 이에 대한 해결점을 찾을 수 있을 것으로 예상된다. 본 고찰에서는 다양한 BNNT의 제조방법과 각 방법의 장단점을 소개하고, 현재 연구되고 있는 BNNT의 산업적 응용에 대해 소개할 것이다. 이를 통해 국내에서 매우 미진한 BNNT 관련 연구가 활성화되는 계기가 될 것을 기대한다.

• Membrane and Water Treatment
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• v.9 no.1
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• pp.63-68
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• 2018

Molecular dynamics simulations were used to study the removal of Cd(II) as a heavy metal from wastewater using armchair carbon nanotube, boron nitride nanotube and silicon carbide nanotubes under applied electric field. The system contains an aqueous solution of $CdCl_2$ as a heavy metal and a (7,7) nanotube as a nanostructured membrane, embedded in a silicon nitride membrane. An external electric field was applied to the considered system for the removal of $Cd^{2+}$ through nanotubes. The simulation results show that in the same conditions, considered armchair nanotubes were capable to remove $Cd^{2+}$ from wastewater with different ratios. Our results reveal that the removal of heavy metals ions through armchair carbon, boron nitride and silicon carbide nanotubes was attributed to the applied electric field. The selective removal phenomenon is explained with the calculation of potential of mean force. Therefore, the investigated systems can be recommended as a model for the water treatment.

• Journal of the Semiconductor & Display Technology
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• v.3 no.3
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• pp.23-25
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• 2004

The defect formation energy of boron nitride (BN) nanotubes is investigated using molecular-dynamics simulation. Although the defect with tetragon-octagon pairs (4-88-4) is favored in the flat cap of BN nanotubes, BN clusters, and the growth of BN nanotubes, the formation energy of the 4-88-4 defect is significantly higher than that of the pentagon-heptagon pairs (5-77-5) defect in BN nanotubes. The 5-77-5 defect reduces the effect of the structural distortion caused by the 4-88-4 defect, in spite of homoelemental bonds.

• Advances in nano research
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• v.11 no.6
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• pp.607-620
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• 2021

In this paper, the vibrations of boron nitride nanotubes (BNNTs) are investigated by considering the electric field. To consider the size effect at nanoscale dimensions, the surface elasticity theory is exploited. The equations of motion of the BNNTs are obtained by applying Hamilton's principle, and the clamped-guided boundary conditions are also considered. The governing equations and boundary conditions are discretized using the differential quadrature method (DQM), and the natural frequency is obtained by using the eigenvalue problem solution. The results are compared with the molecular dynamic simulation in order to validate the accurate values of the surface effects. In the molecular dynamics (MD) simulation, the potential between boron and nitride atoms is considered as the Tersoff type. The Timoshenko beam model is adopted to model BNNT. The vibrations of two types of zigzag and armchair BNNTs are considered. In the result section, the effects of chirality, surface elasticity modulus, surface residual tension, surface density, electric field, length, and thickness of BNNT on natural frequency are investigated. According to the results, it should be noted that, as an efficient non-classical continuum mechanic approach, the surface elasticity theory can be used in scrutinizing the dynamic behavior of BNNTs.

• Vacuum Magazine
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• v.3 no.3
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• pp.19-23
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• 2016

BNNTs (Boron nitride nanotubes) is an analogue of CNTs (Carbon Nanotubes) in terms of lattice structure. In BNNTs, a boron atom forms sp2 hybridized bonding with three nitrogen atoms, and so does a nitrogen with three boron atoms in the honeycomb structure. Its innovative properties, such as high thermal conductivity, neutron shielding capability, superb oxidation resistance at $900^{\circ}C$, excellent chemical resistance, and superior mechanical properties are advantageous for a wide range of applications, especially for electric device packages, neutron shielding, protective coating materials, and functional composites. In this paper, boron nitride nanotube synthesis, properties and application are reviewed.

• Composites Research
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• v.37 no.4
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• pp.350-355
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• 2024

Boron nitride nanotubes (BNNT) are materials of significant interest in next-generation technological fields due to their outstanding physicochemical properties, including excellent chemical and thermal stability. However, for effective utilization, dispersion of BNNT is essential. Unfortunately, BNNT exhibit hydrophobic surfaces and strong van der Waals forces, making their dispersion challenging. Current dispersion methods include the addition of surfactants and surface functionalization, but these chemical treatments often damage BNNT and involve cumbersome processes. In this study, we dispersed BNNT in water under various tip ultrasonication conditions and identified conditions that do not affect BNNT using FT-IR spectroscopy, Raman spectroscopy, and X-ray diffraction analysis. Subsequently, enhanced dispersibility was confirmed through turbidity measurements, and the solubility range in 15 different solvents was evaluated using the Hansen solubility parameter.

• Proceedings of the Korean Society Of Semiconductor Equipment Technology
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• 2004.05a
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• pp.59-62
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• 2004

The defect formation energy of boron nitride (BN) nanotubes is investigated using molecular-dynamics simulation. Although the defect with tetragon-octagon pairs (4-88-4) is favored in the flat cap of BN nanotubes, BN clusters, and the growth of BN nanotubes, the formation energy of the 4-88-4 defect is significantly higher than that of the pentagon-heptagon pairs (5-77-5) defect in BN nanotubes. The 5-77-5 defect reduces the effect of the structural distortion caused by the 4-88-4 defect, in spite of homoelemental bonds. The instability of the 4-88-4 defect generates the structural transformation into BNNTs with no defect at about 1500 K.

• Composites Research
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• v.37 no.3
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• pp.155-161
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• 2024

Boron nitride nanotubes and carbon nanotubes are the most representative one-dimensional nanostructures, and have received great attention as reinforcement for multifunctional composites for their excellent physical properties. The two nanotubes have similar excellent mechanical stiffness, strength, and heat conduction properties. Therefore, the reinforcing effect of these two nanotubes is greatly influenced by the properties of their interface with the polymer matrix. In this paper, recent comparative studies on the reinforcing effect of boron nitride nanotubes and carbon nanotubes through experimental pull-out test and in-silico simulation are summarized. In addition, the conflicting aspect of the two different nanotubes with structural defects in their side wall is discussed on the viscoelastic damping performance of nanocomposites.