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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

Molecular dynamics simulations were performed to understand the role of twin boundaries on deformation behaviour of body-centred cubic (BCC) iron (Fe) nanopillars. The twin boundaries varying from one to five providing twin boundary spacing…

Materials Science · Physics 2016-11-18 G. Sainath , B. K. Choudhary

Tension-compression asymmetry is a notable feature of plasticity in bcc single crystals. Recent experiments reveal striking differences in the plasticity of bcc nanopillars for tension and compression. Here we present results from molecular…

Materials Science · Physics 2016-05-23 Con Healy , Graeme Ackland

Unlike the tensile mode, compressive deformation of a bcc metallic nanostructure is mediated by the glide of screw dislocation. Although the bcc screw dislocations are well known to possess unusual attributes, it is still unclear how these…

Materials Science · Physics 2016-08-04 Amlan Dutta

Molecular dynamics simulations revealed significant difference in deformation behaviour of $<$100$>$ BCC Fe nanowires with and without twist boundary. The plastic deformation in perfect $<$100$>$ BCC Fe nanowire was dominated by twinning…

Materials Science · Physics 2016-11-29 G. Sainath , B. K. Choudhary

This study investigates the torsional mechanical properties of pristine iron (Fe) and carbon-doped iron (FeC) nanowires with [001] orientation through molecular dynamics simulations utilizing the Modified Embedded Atom Method (MEAM)…

Materials Science · Physics 2025-07-16 Charith L. Hirimuthugodage , Laalitha S. I. Liyanage , K. G. S. H. Gunawardana

Nanoparticles usually exhibit pronounced anisotropic properties, and a close insight into the atomic-scale deformation mechanisms is of great interest. In present study, atomic simulations are conducted to analyze the compression of bcc…

Materials Science · Physics 2018-10-29 J. J. Bian , L. Yang , X. R. Niu , G. F. Wang

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

Molecular dynamics simulations have been performed to understand the influence of temperature on the tensile deformation and fracture behavior of $<$111$>$ BCC Fe nanowires. The simulations have been carried out at different temperatures in…

Materials Science · Physics 2017-10-09 G. Sainath , B. K. Choudhary

We report twinning to slip transition with decreasing size and increasing temperature in ultrathin $<$100$>$ BCC Fe nanowires. Molecular dynamics simulations have been performed on different nanowire size in the range 0.404-3.634 nm at…

Materials Science · Physics 2018-03-15 G. Sainath , B. K. Choudhary

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

Plasticity in body-centered cubic (BCC) nanocrystals is often associated with twin nucleation phenomena under extreme loading conditions. Here, we reveal unconventional twinning pathways that operate at the intersection of crystal…

The temperature dependence of mechanical properties of steel nanowires with varying carbon content was studied using molecular dynamics simulations. Four interatomic potentials were assessed, with the Modified Embedded Atom Method (MEAM)…

Materials Science · Physics 2025-07-16 J. K. Liyanage , M. D. Nadeesha Tharundi , Laalitha S. I. Liyanage

The mechanisms of deformation and failure of Cu/Nb nanolaminates manufactured by accumulated roll bonding were analysed using in-situ TEM mechanical tests. Dog-bone small-scale tensile specimens were prepared using a FIB-based technique…

Materials Science · Physics 2018-11-13 Z. Liu , M. A. Monclús , L. W. Yang , M. Castillo-Rodríguez , J. M. Molina-Aldareguía , J. LLorca

Atomistic simulations are performed to probe the anisotropic deformation in the compressions of face-centred-cubic metallic nanoparticles. In the elastic regime, the compressive load-depth behaviors can be characterized by the classical…

Materials Science · Physics 2018-10-29 Jianjun Bian , Hao Zhang , Xinrui Niu , Gangfeng Wang

The mechanical properties of Cadmium telluride (CdTe) nanowire have become focus of interest now-a-days due to its promising application in opto-electro-mechanical nanodevices. Inthis study, molecular dynamics simulations have been used to…

Materials Science · Physics 2019-03-04 Md. Adnan Mahathir Munshi , Sourajit Majumder , Mohammad Motalab , Sourav Saha

The stress-driven motion of dislocations in crystalline solids, and thus the ensuing plastic deformation process, is greatly influenced by the presence or absence of various point-like defects such as precipitates or solute atoms. These…

Materials Science · Physics 2016-02-10 Arttu Lehtinen , Fredric Granberg , Lasse Laurson , Kai Nordlund , Mikko J. Alava

In layered materials, a common mode of deformation involves buckling of the layers under tensile deformation in the direction perpendicular to the layers. The instability mechanism, which operates in elastic materials from geological to…

Materials Science · Physics 2012-01-13 Ali Makke , Michel Perez , Olivier Lame , Jean-Louis Barrat

Collisions between amorphous Fe nanoparticles were studied using molecular-dynamics simulation. For head-on collisions of nanoparticles with radii $R =$ 1.4 nm, $R =$ 5.2 nm, and $R =$ 11 nm, sticking was observed at all simulated…

Computational Physics · Physics 2019-02-05 William C. Tucker , Adrienne R. Dove , Patrick K. Schelling

Collapse modes in compressed simple cubic (SC) and body-centered cubic (BCC) periodic arrangements of elastic frictionless beads were studied numerically using the discrete element method. Under pure hydrostatic compression, the SC…

Soft Condensed Matter · Physics 2020-09-23 Igor A. Ostanin , Artem R. Oganov , Vanessa Magnanimo
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