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Titanium and its alloys undergo temperature-driven martensitic phase transformation leading to the development of complex microstructures at mesoscale. Optimizing the mechanical properties of these materials requires an understanding of the…

Materials Science · Physics 2022-11-29 C. Baruffi , A. Finel , Y. Le Bouar , B. Bacroix , O. U. Salman

Change in the interatomic spacing of a two-atom system under tension and compression has been modelled by the elastic deformation of atoms. The critical elastic strain of atoms before separation or cracking from tension was estimated by the…

Superconductivity · Physics 2024-04-23 Xiaozhi Hu

A systematic study on the different roles of the governing components of a well-defined finite-deformation gradient crystal-plasticity model proposed by (Gurtin, 2008b) is carried out, in order to visualize the capability of the model in…

Computational Physics · Physics 2017-09-13 Habib Pouriayevali , Bai-Xiang Xu

In this paper we have investigated, through computer simulations, dislocation nucleation and dislocation dynamics in a heterostructure system with the lattice-mismatch interface, i.e. a system with internal strain. In particular, we have…

Materials Science · Physics 2018-04-20 Marco Patriarca , Antti Kuronen , Kimmo Kaski

We investigate the structure and mobility of dislocations in hcp 4He crystals. In addition to fully characterizing the five elastic constants of this system, we obtain direct insight into dislocation core structures on the basal plane,…

Materials Science · Physics 2015-05-18 Renato Pessoa , S. A. Vitiello , Maurice de Koning

Dislocations are the main carriers of plastic deformation in crystalline materials. Physically based constitutive equations of crystal plasticity typically incorporate dislocation mechanisms, using a dislocation density based description of…

Materials Science · Physics 2022-01-19 Ronghai Wu , Michael Zaiser

The presence and evolution of defects that appear in the manufacturing process play a vital role in the failure mechanisms of engineering materials. In particular, the collective behavior of dislocation dynamics at the mesoscale leads to…

Materials Science · Physics 2022-05-13 Eduardo Augusto Barros de Moraes , Marta D'Elia , Mohsen Zayernouri

Molecular dynamics simulations were used to quantify mechanically-induced structural evolution in nanocrystalline Al with an average grain size of 5 nm. A polycrystalline sample was cyclically strained at different temperatures, while a…

Materials Science · Physics 2015-06-22 Jason F. Panzarino , Jesus J. Ramos , Timothy J. Rupert

Order(N) Tight-Binding Molecular Dynamics (TBMD) simulations are performed to investigate the thermal stability of (10,10) metallic Single-Walled Carbon Nanotubes (SWCNT). Periodic boundary conditions (PBC) are applied in axial direction.…

Materials Science · Physics 2009-11-13 G. Dereli , B. Sungu , C. Ozdogan

In this work, we present a 3D Phase Field Dislocation Dynamics (PFDD) model for body-centered cubic (BCC) metals. The model formulation is extended to account for the dependence of the Peierls barrier on the line-character of the…

Materials Science · Physics 2019-09-24 Xiaoyao Peng , Nithin Mathew , Irene J. Beyerlein , Kaushik Dayal , Abigail Hunter

Recently acoustic signature of dislocation avalanches in HCP materials was found to be long tailed in size and energy, suggesting critical dynamics. Even more recently, the intermittent plastic response was found to be generic for micro-…

Mesoscale and Nanoscale Physics · Physics 2021-05-25 Jérôme Weiss , Peng Zhang , Oguz Umut Salman , Gang Liu , Lev Truskinovsky

Dislocation patterning and self-organization during plastic deformation are associated with work hardening, but the exact mechanisms remain elusive. This is partly because studies of the structure and local strain during the initial stages…

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

Nickel-based superalloys play a major role in many technologically relevant high temperature applications. Understanding and predicting the evolution of the phase microstructure during high temperature creep together with the evolution of…

Materials Science · Physics 2016-05-26 Ronghai Wu , Stefan Sandfeld

A growth model which describes the deposition of particles (or the growth of a rigid crystal) on a disordered substrate is investigated. The dynamic renormalization group is applied to the stochastic growth equation using the Martin, Sigga,…

Condensed Matter · Physics 2009-10-22 Yan-Chr Tsai , Yonathan Shapir

Polycrystalline hcp metals - an important class of engineering materials - typically exhibit complex plasticity because of a limited number of slip systems. Among these metals, deformation is even more complicated in cobalt as it commonly…

Grain structure plays a key role in the mechanical properties of alloy materials. Engineering the grain structure requires a comprehensive understanding of the evolution of grain boundaries (GBs) when a material is subjected to various…

Materials Science · Physics 2021-10-26 Junyan He , Nikhil Chandra Admal

Recrystallization is a phenomenon in which a plastically deformed polycrystalline microstructure with a high dislocation density transforms into another that has low dislocation density. This evolution is driven by the stored energy in…

The spontaneous emergence of heterogeneous dislocation patterns is a conspicuous feature of plastic deformation and strain hardening of crystalline solids. Despite long-standing efforts in the materials science and physics of defect…

Materials Science · Physics 2015-05-22 Stefan Sandfeld , Michael Zaiser

Recent experiments showed that the shear modulus of solid 4He stiffens in the same temperature range (below 200 mK) where mass decoupling and supersolidity have been inferred from torsional oscillator measurements. The two phenomena are…

Other Condensed Matter · Physics 2013-05-29 James Day , Oleksandr Syshchenko , John Beamish