Atomistic simulation of the elongation response of a <011> oriented columnar nano-grain bcc Fe polycrystalline sample
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- 作者：J. Gil Sevillano ; I. Aldazabal ; A. Luque ; J. Aldazabal
- 关键词：Molecular dynamics ; < ; 011> ; Textured nanocrystalline iron ; Crystal plasticity
- 刊名：Meccanica
- 出版年：2016
- 出版时间：February 2016
- 年：2016
- 卷：51
- 期：2
- 页码：401-413
- 全文大小：3,371 KB
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I. Aldazabal (2)
A. Luque (3)
J. Aldazabal (1)
1. Ceit-IK4 and Tecnun, University of Navarra, P. Manuel de Lardizabal 15, 20018, San Sebastián, Spain
2. Centro de Física de Materiales (CSIC-UPV/EHU) – MPC, P. Manuel de Lardizabal 5, 20018, San Sebastián, Spain
3. Laboratory of Multiscale Mechanics Modelling, Institute of Mechanical Engineering, École Polytechnique Fédérale de Lausanne, Lausanne, 1015, Switzerland - 刊物类别：Physics and Astronomy
- 刊物主题：Physics
Mechanics
Civil Engineering
Automotive and Aerospace Engineering and Traffic
Mechanical Engineering - 出版者：Springer Netherlands
- ISSN：1572-9648
文摘
The tensile elongation of an <011> oriented columnar nanocrystalline pure iron structure at a temperature of 300 K has been simulated by molecular dynamics (MD). The simulated sample contains 4.3 × 106 atoms and has been subject to free elongation along the <011> axis common to the grains. Periodic boundary conditions have been assumed. The grains are randomly oriented around their common <011> and the size of their cross section is about 10 nm. The stress–strain curve has been calculated up to 0.5 true strain. After elastic deformation and heterogeneous dislocation nucleation from the grain boundaries, it shows a peak stress of 8 GPa followed by a remarkably stable steady state with a flow stress of 5.15 GPa, where neither the crystallographic texture nor the grain structure show any important change despite the large plastic deformation imparted. Upon a strain reversal, a pronounced Bauschinger effect is then observed (−3.3 GPa compressive yield stress), followed by a hardening transient until the absolute level of the flow stress in compression reaches near the same value it had in tension when the unloading took place. The results of the MD simulation are discussed by comparison with experimental values of the strength and structural evolution of heavily drawn iron wires available in the bibliography.