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Molecular dynamics simulations on tensile deformation of initially defect free single crystal copper nanowire oriented in <001>{100} has been carried out at 10 K under adiabatic and isothermal loading conditions. The tensile behaviour was…

Materials Science · Physics 2014-11-10 G. Sainath , V. S. Srinivasan , B. K. Choudhary , M. D. Mathew , T. Jayakumar

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

Due to the large free surface and strong anisotropy, the mechanical property of nanowire differs from its bulk counterpart. In this paper, the strong dependence of NW's strength on its surface orientation is revealed, and two modes of…

Materials Science · Physics 2016-06-02 Haojie Wei , Yueguang Wei

Molecular dynamics simulations have been performed to understand the variations in deformation mechanisms of Cu nanowires as a function of orientation and loading mode (tension or compression). Cu nanowires of different crystallographic…

Materials Science · Physics 2018-09-05 P. Rohith , G. Sainath , B. K. Choudhary

In the present study, molecular dynamics (MD) simulations have been performed to understand the effect of nanowire size, temperature and strain rate on the variations in dislocation density and deformation mechanisms in $<$100$>$ Cu…

Materials Science · Physics 2019-11-27 P. Rohith , G. Sainath , V. S. Srinivasan

Recent research on silver nanowires prepared on DNA templates has focused on two fundamental applications: nano-scale circuits and sensors. Despite its broad potential, the formation kinetics of DNA-templated silver nanowires remains…

Nanocrystalline metals, i.e. metals with grain sizes from 5 to 50 nm, display technologically interesting properties, such as dramatically increased hardness, increasing with decreasing grain size. Due to the small grain size, direct…

Materials Science · Physics 2009-10-31 J. Schiøtz , T. Vegge , K. W. Jacobsen

Size plays an important role on the deformation mechanism of nanopillars. With decreasing size, many FCC nanopillars exhibit dislocation starvation state which is responsible for their high strength. However, many details about the…

Materials Science · Physics 2023-10-04 G. Sainath , Vani Shankar , A. Nagesha

The thermodynamic dislocation theory developed for non-uniform plastic deformations is used here for the analysis of twisted copper wires. With a small set of physical parameters that we expect to be independent of strain rate and…

Materials Science · Physics 2018-08-20 Khanh Chau Le , Yinguang Piao

We have studied the effect of thermal effects on the structural and transport response of Ag atomic-size nanowires generated by mechanical elongation. Our study involves both time-resolved atomic resolution transmission electron microscopy…

Materials Science · Physics 2012-06-13 M. J. Lagos , P. A. S. Autreto , D. S. Galvao , D. Ugarte

Nanocrystalline metals, i.e. metals in which the grain size is in the nanometer range, have a range of technologically interesting properties including increased hardness and yield strength. We present atomic-scale simulations of the…

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

The impact of twin boundaries (TBs) on the microstructure evolution and plastic deformation mechanisms of face-centered cubic (FCC) metals has been extensively studied since the discovery that nanotwinned materials exhibit a favorable…

Materials Science · Physics 2026-01-28 DeAn Wei , Michael Zaiser , Jing Tang , Xu Zhang

Molecular Dynamics (MD) simulations have been carried out to investigate the deformation behaviour of <110>/{111} body centered cubic (BCC) Fe nanowires under tensile and compressive loading. An embedded atom method (EAM) potential was used…

Materials Science · Physics 2014-09-12 G. Sainath , B. K. Choudhary , T. Jayakumar

Molecular dynamics simulations are performed to investigate the role of a coherent {\Sigma}3 (111) twin boundary on the plastic deformation behavior of Cu nanopillars. Our work reveals that the mechanical response of pillars with and…

We report phenomenal yield strengths, up to one fourth of the theoretical strength of silver, recorded in microcompression testing of initially dislocation free silver micro and nanocubes synthesized from a multistep seed growth process.…

When a macroscopic metallic wire is subject to tensile stress, it necks down smoothly as it elongates. We show that nanowires with radii comparable to the Fermi wavelength display remarkably different behavior. Using concepts from fluid…

Mesoscale and Nanoscale Physics · Physics 2008-07-09 J. Burki , Raymond E. Goldstein , C. A. Stafford

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

Silicon nanowires have attracted considerable interest due to their wide-ranging applications in nanoelectromechanical systems and nanoelectronics. Molecular dynamics simulations are powerful tools for studying the mechanical properties of…

Materials Science · Physics 2023-08-25 Sina Zare Pakzad , Mohammad Nasr Esfahani , B. Erdem Alaca

We use our recently proposed accelerated dynamics algorithm (Tiwary & van de Walle, 2011) to calculate temperature and stress dependence of activation free energy for surface nucleation of dislocations in pristine Gold nanopillars under…

Materials Science · Physics 2013-05-14 Pratyush Tiwary , Axel van de Walle

Nanowires of different nature have been shown to self-assemble as a function of stress at the contact between two macroscopic metallic leads. Here we demonstrate for gold wires that the balance between various metastable nanowire…

Mesoscale and Nanoscale Physics · Physics 2017-12-11 I. K. Yanson , O. I. Shklyarevskii , Sz. Csonka , H. van Kempen , S. Speller , A. I. Yanson , J. M. van Ruitenbeek
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