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Deformation plasticity mechanisms in alloys and compounds may unveil the material capacity towards optimal mechanical properties. We conduct a series of molecular dynamics (MD) simulations to investigate plasticity mechanisms due to…

Materials Science · Physics 2023-08-24 F. J. Dominguez-Gutierrez , S. Papanikolaou , S. Bonfanti , M. J. Alava

Computational modeling is usually applied to aid experimental exploration of advanced materials to better understand the fundamental plasticity mechanisms during mechanical testing. In this work, we perform Molecular dynamics (MD)…

Concentrated solid solution alloys (CSAs) have attracted attention for their promising properties; however, current manufacturing methods face challenges in complexity, high costs, and limited scalability, raising concerns about industrial…

Refractory complex concentrated alloys (RCCAs) show promise for high-temperature applications but often lose strength due to screw-dislocation-controlled plasticity. We demonstrate a temperature-driven transition from screw- to…

Recently developed single-phase concentrated solid-solution alloys (CSAs) contain multiple elemental species in high concentrations with different elements randomly arranged on a crystalline lattice. These chemically disordered materials…

Computational Physics · Physics 2025-02-19 K. Frydrych , F. J. Dominguez-Gutierrez , M. J. Alava , S. Papanikolaou

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

Nanoindentation, a common technique for probing the mechanical properties of crystalline materials, exhibits both surface and bulk-dominated responses that are linked to the parent crystal's elasticity and plasticity. For FCC crystals, the…

Materials Science · Physics 2020-02-04 Michail Tzimas , John Michopoulos , Giacomo Po , Andrew C. E. Reid , Stefanos Papanikolaou

The striking variation in damage tolerance among refractory complex concentrated alloys is examined through the analysis of atomistic fracture simulations, contrasting behavior in elemental Nb with that in brittle NbMoTaW and ductile…

Nanoindentation is a powerful tool capable of providing fundamental insights of material elastic and plastic response at the nanoscale. Alloys at nanoscale are particularly interesting as the local heterogeneity and deformation mechanism…

Chemical short-range order (CSRO) is believed to be a key contributor to the exceptional properties of multicomponent alloys. However, direct validation and confirmation of CSRO has been highly elusive in most compounds. Recent studies for…

Materials Science · Physics 2022-11-11 A. Naghdi , F. J. Dominguez-Gutierrez , W. Y. Huo , K. Karimi , S. Papanikolaou

We performed molecular dynamics simulations to investigate the mechanical response of face-centered cubic (FCC) nickel under uniaxial compression and nanoindentation using traditional interatomic potentials, including the Embedded Atom…

Materials Science · Physics 2025-03-06 K. Cichocki , F. J. Dominguez-Gutierrez , L. Kurpaska , K. Muszka

The yield surface in crystal plasticity can be approached from various directions during mechanical loading. We consider the competition between nanoindentation and tensile loading towards plastic yielding. For this purpose, we develop a…

Materials Science · Physics 2017-07-14 Hengxu Song , Hakan Yavas , Erik Van der Giessen , Stefanos Papanikolaou

The yield strength plateau of two BCC refractory high entropy alloys (RHEAs) - MoNbTaVW and MoNbTaW was examined through hybrid Monte Carlo and molecular dynamics (MC/MD) simulations. By analyzing atomic diffusivities derived from vacancy…

Materials Science · Physics 2025-10-07 Sai Anandhi Seetharaman , Soumyadipta Maiti , Ambesh Gupta , Beena Rai

Molecular-dynamics simulation can give atomistic information on the processes occurring in nanoindentation experiments. In particular, the nucleation of dislocation loops, their growth, interaction and motion can be studied. We investigate…

Materials Science · Physics 2015-05-13 Gerolf Ziegenhain , Alexander Hartmaier , Herbert M. Urbassek

We present a high-throughput nanoindentation study of in-situ bending effects on incipient plastic deformation behavior of polycrystalline and single-crystalline pure aluminum and pure copper at ultra-nano depths (<200nm). We find that…

Materials Science · Physics 2019-10-22 Ryder Bolin , Hakan Yavas , Hengxu Song , Kevin J. Hemker , Stefanos Papanikolaou

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

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

Nanoindentation techniques recently developed to measure the mechanical response of crystals under external loading conditions reveal new phenomena upon decreasing sample size below the microscale. At small length scales, material…

Materials Science · Physics 2015-03-18 Paolo Moretti , Benedetta Cerruti , M. -Carmen Miguel

A promising approach to deform metallic-intermetallic composite materials is the application of electric current pulses during the deformation process to achieve a lower yield strength and enhanced elongation to fracture. This is known as…

Materials Science · Physics 2019-06-03 D. Andre , T. Burlet , F. Koerkemeyer , G. Gerstein , S. Sandloebes-Haut , S. Korte-Kerzel

Nanoindentation is a widely used method for sensitive exploration of the mechanical properties of micromechanical systems. We derived an empirical analysis technique to extract stress-strain field gradient and divergence representations…

Materials Science · Physics 2016-10-03 Uldis Kanders , Karlis Kanders
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