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The atomic structure and elastic properties of silicon carbide nanowires of different shapes and effective sizes were studied using density functional theory and classical molecular dynamics. The surface relaxation led to surface…

Nanowires have unique optical properties [1-4] and are considered as important building blocks for energy harvesting applications such as solar cells. [2, 5-8] However, due to their large surface-to-volume ratios, the recombination of…

Mesoscale and Nanoscale Physics · Physics 2011-05-26 Yaping Dan , Kwanyong Seo , Kuniharu Takei , Jhim H. Meza , Ali Javey , Kenneth B. Crozier

In this paper we review the theory of silicon nanowires. We focus on nanowires with diameters below 10 nm, where quantum effects become important and the properties diverge significantly from those of bulk silicon. These wires can be…

Mesoscale and Nanoscale Physics · Physics 2019-10-22 Riccardo Rurali

It is well known that the twin boundary (TB) spacing plays an important role in controlling the strength of twinned metallic nanopillars. One of the reasons attributed to this strengthening behaviour is the force exerted by the TBs on…

Materials Science · Physics 2021-11-12 G. Sainath , P. Rohith , A. Nagesha

We present a theoretical investigation of the surface plasmon (SP) at the interface between topologically non-trivial cylindrical core and topological-trivial surrounding material, from the axion electrodynamics and modified constitutive…

Mesoscale and Nanoscale Physics · Physics 2015-04-13 Mingda Li , Wenping Cui , Lijun Wu , Qingping Meng , Yimei Zhu , Yong Zhang , Weishu Liu , Zhifeng Ren

Magnetization reversal in a ferromagnetic nanowire which is much narrower than the exchange length is believed to be accomplished through the thermally activated growth of a spatially localized nucleus, which initially occupies a small…

Statistical Mechanics · Physics 2007-05-23 Robert S. Maier

Due to the drastically different intralayer versus interlayer bonding strengths, the mechanical, thermal, and electrical properties of two-dimensional (2D) materials are highly anisotropic between the in-plane and out-of-plane directions.…

We study three structurally different states of nanocrystalline 316 steel and show that the state, where boundaries containing excess concentration of alloying elements are combined with mobile dislocations in grain interiors, allows…

Molecular dynamics simulation have shown that after initial surface melting, nanowires can melt via two mechanisms: an interface front moves towards the wire centre; the growth of an instability at the interface can cause the solid to…

Materials Science · Physics 2022-07-11 Kannan M. Ridings , Shaun C. Hendy

We propose an explanation of anomalies observed in the behavior of deformation hardening of Invars. An extremely strong volume magnetostriction, typical of Invars, results in an enhancement of the exchange contribution to the energy of the…

Materials Science · Physics 2015-06-24 M. Molotskii , V. Fleurov

The structure and motion of carbon and h-BN nanotubes (NTs) deposited on graphene is inquired theoretically by simulations based on state-of-the-art interatomic force fields. Results show that any typical cylinder-over-surface approximation…

Mesoscale and Nanoscale Physics · Physics 2020-06-17 Davide Mandelli , Roberto Guerra

Despite its importance in atmospheric science, much remains unknown about the microscopic mechanism of heterogeneous ice nucleation. In this work, we perform hybrid Monte Carlo simulations of the heterogeneous nucleation of ice on a range…

Statistical Mechanics · Physics 2014-08-25 Aleks Reinhardt , Jonathan P. K. Doye

The surface energy is one of the fundamental properties nuclei, appearing in the simplest form of the semi-empirical mass formula. The surface enery has an influence on e.g. the shape of a nucleus and its ability to deform. This in turn…

Nuclear Theory · Physics 2020-04-22 P. D. Stevenson

Understanding nanomechanical response of materials represents a scientific challenge. Here, we have used in-situ electron microscopy to reveal drastic for the first time changes of structural behavior during deformation of 1-nm-wide metal…

Materials Science · Physics 2009-10-22 Maureen J. Lagos , Fernando Sato , Douglas S. Galvao , Daniel Ugarte

The combination of soft nanoscale organic components with inorganic nanograins hierarchically designed by natural organisms results in highly ductile structural materials that can withstand mechanical impact and exhibit high resilience on…

We report the results of micromagnetic simulations of domain wall (DW) nucleation and pinning/depinning processes in ferromagnetic planar structure consisting of nanowire (NW) with perpendicular anisotropy and special V-shaped nanoparticle…

Materials Science · Physics 2018-07-04 O. L. Ermolaeva , V. L. Mironov

Heterogeneous nucleation at surface edges is pervasive across nature and industry, yet the role of line tension, arising from asymmetric capillary interactions at geometric singularities, remains poorly understood. Herein we develop a…

Soft Condensed Matter · Physics 2025-06-23 Yanchen Wu , Martin Z. Bazant , Allan S. Myerson , Richard D. Braatz

This article presents a brief review of the nanoscale free-electron model, which provides a continuum description of metal nanostructures. It is argued that surface and quantum-size effects are the two dominant factors in the energetics of…

Mesoscale and Nanoscale Physics · Physics 2007-05-23 J. Bürki , C. A. Stafford

We report several procedures for the robust nucleation of magnetic domain walls in cylindrical permalloy nanowires. Specific features of the magnetic force microscopy contrast of such soft wires are discussed, with a view to avoid the…

Materials Science · Physics 2016-08-24 S Da Col , S Jamet , M Staňo , B Trapp , S Le Denmat , L Cagnon , J. C. Toussaint , Olivier Fruchart

InN nanowires were grown on Si<111> and Si<100> substrates by plasma-assisted molecular beam epitaxy using a thin AlN buffer layer at temperatures compatible with the thermal budget limitation imposed by Back-End-Of-Line processing.…