• Transactions on Electrical and Electronic Materials
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• 제5권6호
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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 $3.579 eV/{\AA}$.

• 한국전기전자재료학회논문지
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• 제17권2호
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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.

• 공업화학전망
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• 제20권4호
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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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• 제9권1호
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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.

• 반도체디스플레이기술학회지
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• 제3권3호
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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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• 제11권6호
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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.

• 진공이야기
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• 제3권3호
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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.

• 한국반도체및디스플레이장비학회:학술대회논문집
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• 한국반도체및디스플레이장비학회 2004년도 춘계학술대회 발표 논문집
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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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• 제37권3호
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• pp.155-161
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• 2024

질화붕소나노튜브와 탄소나노튜브는 가장 대표적인 1차원 나노구조체로, 기존의 금속 및 세라믹재료에 비해 매우 뛰어난 물성을 가지고 있음이 알려지면서 다기능성 경량복합재의 강화재로 가장 큰 주목을 받아왔다. 각각 저 차원 무기나노소재와 유기나노소재를 대표하는 이들 나노구조는 우열을 가리기 어려울 정도로 뛰어난 기계적강성과 강도 그리고 열전도 특성을 가지고 있다. 따라서 구조용 복합소재 및 방열 복합재 분야에서 이 두 나노튜브의 강화효과는 고분자기지와 혼합되면서 형성되는 재료 간 계면 물성이 어떠한가에 의해 크게 영향을 받게 된다. 본 논문에서는 질화붕소나노튜브와 탄소나노튜브가 복합재 내 기지와 형성하는 계면 물성에 대한 비교 연구 사례를 통해 두 나노튜브의 강화효과에 대해 고찰한다. 기계적특성을 좌우할 수 있는 계면에서의 하중전달 특성을 튜브의 인발거동과 분자모델링을 통한 상호작용 에너지를 통해 분석한 결과와 더불어, 나노튜브에 결함이 존재하는 경우 두 나노튜브가 보이게 되는 상반되는 계면특성변화에 대해 점탄성 거동을 예시로 하여 소개한다.

• Advances in nano research
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• 제5권1호
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• pp.1-12
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• 2017

In this paper, the critical buckling temperature of single-walled Boron Nitride nanotube (SWBNNT) is estimated using a new nonlocal first-order shear deformation beam theory. The present model is capable of capturing both small scale effect and transverse shear deformation effects of SWBNNT and is based on assumption that the inplane and transverse displacements consist of bending and shear components, in which the bending components do not contribute toward shear forces and, likewise, the shear components do not contribute toward bending moments. Results indicate the importance of the small scale effects in the thermal buckling analysis of Boron Nitride nanotube.