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The atomistic simulations of carbon nanotube (CNT) - carbon reinforced composite material are reported. The studied composite samples were obtained by impregnating certain amounts of CNTs (3,3) and (6,6) into pristine graphite matrix. The…

材料科学 · 物理学 2011-03-14 Vitaly Chaban

A continuum model to study the influence of dislocations on the electronic properties of condensed matter systems is described and analyzed. The model is based on a geometrical formalism that associates a density of dislocations with the…

介观与纳米尺度物理 · 物理学 2012-03-22 Fernando de Juan , Alberto Cortijo , María A. H. Vozmediano

Carbon nanotubes (CNTs) are a one-dimensional material system with intriguing physical properties that lead to emerging applications. While CNTs are unusually strain resistant compared to bulk materials, their optical-absorption spectrum is…

计算物理 · 物理学 2019-02-22 Christian Wagner , Jörg Schuster , André Schleife

Quantum interference (QI) in two types of deformed carbon nanotubes (CNTs), i.e., axially stretched and AFM tip-deformed CNTs, has been investigated by the pi-electron only and four-orbital tight-binding (TB) method. It is found that the…

材料科学 · 物理学 2007-05-23 Wei Fa , Jinming Dong

To study the nanoscopic interaction between edge dislocations and a phase boundary within a two-phase microstructure the effect of the phase contrast on the internal stress field due to the dislocations needs to be taken into account. For…

材料科学 · 物理学 2019-09-04 F. Bormann , R. H. J. Peerlings , M. G. D. Geers , B. Svendsen

Recent experiments about the low temperature behaviour of a Single Wall Carbon Nanotube (SWCNT) showed typical Coulomb Blockade (CB) peaks in the zero bias conductance and allowed us to investigate the energy levels of interacting…

强关联电子 · 物理学 2009-11-11 S. Bellucci , P. Onorato

Effect of contact interfaces, between metallic single-wall carbon nanotubes (SWCNT) and external electrodes made also of nanotubes, on the electrical conductance is studied. A tight-binding model with both diagonal and off-diagonal…

介观与纳米尺度物理 · 物理学 2015-06-24 S. Krompiewski

(a+c) dislocations in hexagonal materials are typically observed to be dissociated into partial dislocations. Edge (a+c) dislocations are introduced into (0001) nitride semiconductor layers by the process of plastic relaxation. As there is…

The interaction of dislocations with phase boundaries is a complex phenomenon, that is far from being fully understood. A 2D Peierls-Nabarro finite element (PN-FE) model for studying edge dislocation transmission across fully coherent and…

材料科学 · 物理学 2019-10-02 F. Bormann , R. H. J. Peerlings , M. G. D. Geers

Water-flow in carbon nanotubes (CNT's) starkly contradicts classical fluid mechanics, with permeabilities that can exceed no-slip Haagen-Poiseuille predictions by two to five orders of magnitude. Semi-classical molecular dynamics accounts…

材料科学 · 物理学 2022-07-27 Alberto Ambrosetti , Giorgio Palermo , Pier Luigi Silvestrelli

Order strengthening in nickel-based superalloys is associated with the extra stress required for dislocations to bypass the $\gamma'$ precipitates distributed in the $\gamma$ matrix. A rich variety of bypass mechanism has been identified,…

材料科学 · 物理学 2021-12-14 Sabyasachi Chatterjee , Yang Li , Giacomo Po

Dynamical process where an edge dislocation in fcc copper bypasses an impenetrable precipitate is investigated by means of molecular dynamics simulation. A mechanism which is quite different from the Orowan mechanism is observed, where a…

材料科学 · 物理学 2007-05-23 Takahiro Hatano

We revisit the theory of ion transport in parallel-plate channels and also discuss how the wettability of a solid and the mobility of adsorbed surface charges impact the transport of ions. It is shown that depending on the ratio of the…

软凝聚态物质 · 物理学 2021-09-29 Olga I. Vinogradova , Elena F. Silkina , Evgeny S. Asmolov

Single walled carbon nanotubes (SWNT) have displayed a wealth of quantum transport phenomena thus far. Defect free, unperturbed SWNTs with wellbehaved or tunable metal contacts are important to probing the intrinsic electrical properties of…

介观与纳米尺度物理 · 物理学 2015-06-25 Jien Cao , Qian Wang , Hongjie Dai

Linear complexions are defect phases that form in the presence of dislocations and thus are promising for the direct control of plasticity. In this study, atomistic simulations are used to model the effect of linear complexions on…

材料科学 · 物理学 2023-03-23 Divya Singh , Vladyslav Turlo , Daniel S. Gianola , Timothy J. Rupert

Carbon nanotube (CNT) have been known to increase the heat transfer at the solid-liquid interfaces, but have a limitation due to the interfacial thermal resistance. Vibrational mismatch at the interface leads to this interfacial thermal…

材料科学 · 物理学 2016-10-04 Ajinkya Sarode , Zeeshan Ahmed , Pratik Basarkar , Atul Bhargav , Debjyoti Banerjee

As the aerospace industry becomes increasingly demanding for stronger lightweight materials, the ultra-strong carbon nanotube (CNT) composites with highly aligned CNT network structures could be the answer. In this work, a novel methodology…

材料科学 · 物理学 2021-08-11 Liyu Dong , Haibin Hang , Jin Gyu Park , Washington Mio , Richard Liang

Short fiber reinforced polymer composites have found extensive industrial and engineering applications owing to their unique combination of low cost, relatively easy processing and superior mechanical properties compared to their parent…

计算物理 · 物理学 2017-04-06 Atiyeh Alsadat Mousavi , Behrouz Arash , Xiaoying Zhuang , Timon Rabczuk

Herein, we report on the use of vertically aligned multiwall carbon nanotubes (CNTs) films as support for ZnO/ZnS photocatalytic active nanostructures. The CNTs were synthetized via a hot-filament chemical vapor deposition (HfCVD), using Fe…

The interplay of topological constraints and Coulomb interactions in static and dynamic properties of charged polymers is investigated by numerical simulations and scaling arguments. In the absence of screening, the long-range interaction…

统计力学 · 物理学 2009-11-07 Paul G. Dommersnes , Yacov Kantor , Mehran Kardar