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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

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 (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

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

Using molecular-dynamics simulation and finite-element modelling, we simulate nanoindentation into the three principal surfaces -- the (100), (110) and (111) surface -- of Cu and Al. In the elastic regime, the simulation data agree fairly…

Materials Science · Physics 2008-12-10 Gerolf Ziegenhain , Herbert M. Urbassek , Alexander Hartmaier

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

Understanding and mastering the mechanical properties of metallic nanoparticles is crucial for their use in a wide range of applications. In this context, we use atomic-scale (Molecular Dynamics) and continuous (Finite Elements)…

Materials Science · Physics 2023-03-14 Matteo Erbi , Hakim Amara , Riccardo Gatti

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

We analyze the isotropic compaction of mixtures composed of rigid and deformable incompressible particles by the non-smooth contact dynamics approach (NSCD). The deformable bodies are simulated using a hyper-elastic neo-Hookean constitutive…

Soft Condensed Matter · Physics 2020-09-30 Manuel Cárdenas-Barrantes , David Cantor , Jonathan Barés , Mathieu Renouf , Emilien Azéma

Successful assembly of suspended nanoscale rod-like particles depends on fundamental phenomena controlling rotational and translational diffusion. Despite the significant developments in fluidic fabrication of nanostructured materials, the…

Soft Condensed Matter · Physics 2018-01-25 Christophe Brouzet , Nitesh Mittal , L. Daniel Söderberg , Fredrik Lundell

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…

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

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 mechanical behavior of antigorite strongly influences the strength and deformation of the subduction interface. Although there is microstructural evidence elucidating the nature of brittle deformation at low pressures, there is often…

Geophysics · Physics 2021-03-17 Lars N. Hansen , Emmanuel C. David , Nicolas Brantut , David Wallis

While the mechanical behavior of noble nanoporous metals has been the subject of numerous studies, less is known about their recently developed refractory-based counterparts. Here we report on the mechanical properties, deformation…

Materials Science · Physics 2024-02-20 N. Vazquez von Bibow , E. N. Millán , C. J. Ruestes

Hexagonal close-packed (hcp) titanium exhibits a complex temperature-dependent mechanical response that is central to its use in structural applications. We employ large-scale molecular dynamics simulations to investigate the…

Materials Science · Physics 2025-09-30 G. Markovic , F. J. Dominguez-Gutierrez

Nanoparticles with different surface morphologies that straddle the interface between two immiscible liquids are studied via molecular dynamics simulations. The methodology employed allows us to compute the interfacial free energy at…

Soft Condensed Matter · Physics 2016-04-27 Sepideh Razavi , Ilona Kretzschmar , Joel Koplik , Carlos E. Colosqui

The contact mechanics of individual, very small particles with other particles and walls is studied using a nanoindenter setup that allows normal and lateral displacement control and measurement of the respective forces. The sliding,…

Materials Science · Physics 2014-01-14 Regina Fuchs , Thomas Weinhart , Jan Meyer , Thorsten Staedler , Xin Jiang , Stefan Luding

Nanoindentation was carried out on pure tungsten carbide (WC) on the basal (0001) and prismatic (1010) planes, using Berkovich and spherical indenters, in both single load and multi-load testing. The work focuses on correlating the…

Materials Science · Physics 2022-01-10 Hannah Zhang , Francois De Luca , Haibin Wang , Ken Mingard , Mark Gee

The mechanical properties and deformation mechanisms of Cu/Nb nanoscale metallic multilayers (NMMs) manufactured by accumulative roll bonding (ARB) are studied at 25C and 400C. Cu/Nb NMMs with individual layer thicknesses between 7 and 63…

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