Extended tight-binding potential for modelling intertube interactions in carbon nanotubes

Carlson A; Dumitrica T

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Extended tight-binding potential for modelling intertube interactions in carbon nanotubes

机译：扩展的紧密结合潜力，可用于模拟碳纳米管中的管间相互作用

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Due to the intrinsic connection between the mechanical properties of carbon nanotubes and their long-ranged interactions, an accurate description for both covalent and van der Waals forces is desired in nanomechanical studies. A tight-binding treatment offers an accurate description for the covalent bonding but fails to account for the long-ranged attractions and for the energy variations of graphite layers under relative shift. Combining the most reliable experimental data on graphite ( equilibrium interlayer spacing, Z-axis compressibility, and the interlayer shear-mode frequency), tight-binding is extended to model the interlayer interactions of graphitic structures.

机译：由于碳纳米管的机械性能与其长程相互作用之间的内在联系，因此在纳米力学研究中需要对共价力和范德华力的准确描述。紧密结合处理为共价键提供了准确的描述，但未能说明长期吸引和相对位移下石墨层的能量变化。结合最可靠的石墨实验数据（平衡层间间距，Z轴可压缩性和层间剪切模式频率），紧密结合得以扩展，以建模石墨结构的层间相互作用。

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《Nanotechnology》 |2007年第6期|共5页
作者
Carlson A; Dumitrica T;
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正文语种 eng
中图分类一般工业技术;
关键词
GRAPHITE; ENERGY; ROPES; TECHNOLOGY;

机译：石墨;能源;绳索;技术;

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1. Extended tight-binding potential for modelling intertube interactions in carbon nanotubes [J] . A Carlson, T Dumitrica Nanotechnology . 2007,第6期

机译：扩展的紧密结合潜力，可用于模拟碳纳米管中的管间相互作用
2. Extended tight-binding potential for modelling intertube interactions in carbon nanotubes [J] . Carlson A, Dumitrica T Nanotechnology . 2007,第6期

机译：扩展的紧密结合潜力，可用于模拟碳纳米管中的管间相互作用
3. Image potential and stopping force in the interaction of fast ions with carbon nanotubes: The extended two-fluid hydrodynamic model [J] . L. Karbunar, D. Borka, I. Radovic Nuclear Instruments & Methods in Physics Research. B, Beam Interactions with Materials and Atoms . 2016,第JANa1期

机译：快速离子与碳纳米管相互作用中的图像势和制动力：扩展的双流体流体动力学模型
4. (Invited) Intertube Coupling in Double-Walled Carbon Nanotubes Beyond Mechanical Interaction [C] . Georgy Gordeev, Soeren Wasserroth, Han Li, Meeting of the Electrochemical Society;International Meeting on Chemical Sensors . 2020

机译：（被邀请的）间隔耦合在双壁碳纳米管中超越机械相互作用
5. Adaptive treatment ofvan der Waals interactions in empirical bond-order potentials with application to junction formation in carbon nanotubes. [D] . Liu, Aibing. 2007

机译：在经验键序势中范德华相互作用的自适应处理及其在碳纳米管结形成中的应用。
6. Comparison of the interactions of daunorubicin in a free form and attached to single-walled carbon nanotubes with model lipid membranes [O] . Dorota Matyszewska 2016

机译：游离柔红霉素与附着在单壁碳纳米管上的游离脂质相互作用与模型脂质膜的比较
7. Optical and loss spectra of carbon nanotubes: Depolarization effects and intertube interactions [O] . Marinopoulos, A. G., Reining, Lucia, Rubio, Angel, 2003

机译：碳纳米管的光谱和损耗光谱：去极化效应和管间相互作用
8. Modeling Biomolecular-Surface Nonbonded Interactions: Application to Nucleobase Adsorption on Single-Wall Carbon Nanotube Surfaces. [R] . Akdim, B., Pachter, R., Day, P. N., 2012

机译：生物分子 - 表面非键合相互作用的建模：在单壁碳纳米管表面上对核碱基吸附的应用。

Extended tight-binding potential for modelling intertube interactions in carbon nanotubes

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