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Nanowires play a pivotal role across a spectrum of disciplines such as nanoelectromechanical systems, nanoelectronics, and energy applications. As nanowires continue to diminish in dimensions, their mechanical characteristics are…

Materials Science · Physics 2023-08-29 Sina Zare Pakzad , Mohammad Nasr Esfahani , B. Erdem Alaca

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…

In-depth understanding of the retarded oxidation phenomenon observed during the oxidation of silicon nanostructures is proposed. The wet thermal oxidation of various silicon nanostructures such as nanobeams, concave/convex nanorings and…

Materials Science · Physics 2012-07-11 C. Krzeminski , X. -L. Han , G. Larrieu

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

We investigated the properties of stability and plasticity of silicon nanowires using molecular dynamics simulations. We considered nanowires with <100>, <110> and <112> growth directions with several diameters and surface facet…

Materials Science · Physics 2013-07-15 J. . F. Justo , R. D. Menezes , L. V. C. Assali

We propose a review of the current knowledge about the synthesis, magnetic properties and applications of magnetic cylindrical nanowires and nanotubes. By "nano" we consider diameters reasonably smaller than a micrometer. At this scale,…

Mesoscale and Nanoscale Physics · Physics 2018-12-19 Michal Stano , Olivier Fruchart

Nanowires have been considered for a number of applications in nanometrology. In such a context, we have explored the possibility of using ultrathin twisted nanowires as torsion nanobalances to probe forces and torques at molecular level…

Mesoscale and Nanoscale Physics · Physics 2014-11-05 Joelson Cott-Garcia , Joao F. Justo

We performed an {\it ab initio} investigation on the properties of rutile tin oxide (SnO$_{x}$) nanowires. We computed the wire properties determining the equilibrium geometries, binding energies and electronic band structures for several…

Study on mechanical properties of one-dimensional layered titanate nanomaterials is crucial since they demonstrate important applications in various fields. Here, we conducted ex situ and in situ atomic-scale investigation on bending…

Materials Science · Physics 2019-09-16 Qiong Liu , Haifei Zhan , Huaiyong Zhu , Ziqi Sun , John Bell , Arixin Bo , Yuantong Gu

Nanocrystalline materials exhibit properties that can differ substantially from those of their single crystal counterparts. As such, they provide ways to enhance and optimise their functionality for devices and applications. Here we report…

Silicon oxide (SiOx) has been widely used in many electronic systems as a supportive and insulating medium. Here we demonstrate various electrical phenomena such as negative differential resistance, resistive switching and current…

Materials Science · Physics 2011-02-17 Jun Yao , Lin Zhong , Douglas Natelson , James M. Tour

The objective of the present paper is to investigate the mechanical properties of carbon nanotubes. We use classical molecular dynamics simulation in order to study the effect of external compression, bending and torsion to nanotubes. We…

Mesoscale and Nanoscale Physics · Physics 2014-11-27 N. Stefanakis

In order to understand properties of ultrathin copper nanowires, we have simulated several copper nanowires using classical molecular dynamic simulations. As the temperature increases, copper nanowires were transformed into structures of…

Materials Science · Physics 2007-05-23 Jeong Won Kang , Ho Jung Hwang

Kinetics of silicon dry oxidation are investigated theoretically and experimentally at low temperature in the nanometer range where the limits of the Deal and Grove model becomes critical. Based on a fine control of the oxidation process…

Materials Science · Physics 2012-10-08 Christophe Krzeminski , Guilhem Larrieu , Julien Penaud , Evelyne Lampin , Emmanuel Dubois

We discuss how simulations of mechanical properties of materials require descriptions at many different length scales --- from the nanoscale where an atomic description is appropriate, through a mesoscale where dislocation based…

Materials Science · Physics 2007-05-23 J. Schiøtz , T. Vegge , F. D. Di Tolla , K. W. Jacobsen

The surface dynamics and thermodynamics of metal nanowires are investigated in a continuum model. Competition between surface tension and electron-shell effects leads to a rich stability diagram, with fingers of stability extending to…

Mesoscale and Nanoscale Physics · Physics 2007-05-23 C. H. Zhang , F. Kassubek , C. A. Stafford

The interaction of mass-selected atomic clusters and nanoparticles with surfaces attracts strong interest in view of fundamental research and technological applications. Understanding dynamics of the deposition process is important for…

Atomic and Molecular Clusters · Physics 2021-07-12 Yannick Fortouna , Pablo de Vera , Alexey Verkhovtsev , Andrey V. Solov'yov

Silicon nanowires have been surface functionalized with the enzyme urease for biosensor applications to detect and quantify urea concentration. The device is nanofabricated from a silicon on insulator (SOI) wafer with a top down lithography…

Biological Physics · Physics 2011-01-05 Yu Chen , Xihua Wang , Mi Hong , Shyamsunder Erramilli , Pritiraj Mohanty

By using molecular dynamics simulations, the research examine how copper and silver nanowires respond to tensile loading in order to clarify their nanoscale deformation mechanisms. The results demonstrate that these two metal nanowires…

Materials Science · Physics 2025-05-02 Xiaorui Hu , Jiawei Xiong

Solar cells have generated a lot of interest as a potential source of clean renewable energy for the future. However a big bottleneck in wide scale deployment of these energy sources remain the low efficiency of these conversion devices.…

Materials Science · Physics 2015-05-19 Vidur Parkash , Anand K. Kulkarni
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