Imperial College London
Alternate

DrMarkWenman

Faculty of Engineering, Department of Materials

Reader in Nuclear Materials
 
 
 
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Contact

 

+44 (0)20 7594 6763m.wenman

 
 
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Location

 

B301aRoyal School of MinesSouth Kensington Campus

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Summary

 

Publications

Citation

BibTex format

@article{Podgurschi:2022:10.1016/j.commatsci.2022.111220,
author = {Podgurschi, V and King, DJM and Luo, K and Wenman, MR},
doi = {10.1016/j.commatsci.2022.111220},
journal = {Computational Materials Science},
pages = {1--12},
title = {Atomic scale simulation of the strain rate and temperature dependence of crack growth and stacking faults in zirconium},
url = {http://dx.doi.org/10.1016/j.commatsci.2022.111220},
volume = {206},
year = {2022}
}
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RIS format (EndNote, RefMan)

TY  - JOUR
AB  - Molecular dynamics simulations of single crystal zirconium fracture were performed to study thedeformation mechanisms active on the basal and prismatic planes. The effects of temperature (0 to300 K) and strain rate (108–1010 s−1) were investigated. Crack tip orientation was found to stronglyaffect the fracture behaviour. On the basal plane twinning ({11¯21}<1¯126>) and emission of <c +a> type dislocations that then dissociated into partial dislocations around pyramidal I2 stackingfaults were seen to occur during fracture. At higher strain rates (109 and 1010 s−1), twinningoccurred. The emission of edge dislocations ( 13<1¯210> type) was prevalent on the prismatic planeand were found to be strongly affected by temperature. At higher temperature (150 and 300 K), thedislocation density increased. The crack grew further at 150–300 K than at 0 K and the shieldingeffect of dislocations was limited due to their movement away from the crack tip. The addition ofiodine at basal I2, pyramidal I1 and I2 stacking faults was seen to decrease the energy of its formation whereas for the prismatic stacking fault it was found to increase it. The iodine also changed theorder of favourability of the stacking faults with basal I2 and pyramidal I1 stacking faults becomingmuch more favourable and prismatic going from most to least favourable.
AU  - Podgurschi,V
AU  - King,DJM
AU  - Luo,K
AU  - Wenman,MR
DO  - 10.1016/j.commatsci.2022.111220
EP  - 12
PY  - 2022///
SN  - 0927-0256
SP  - 1
TI  - Atomic scale simulation of the strain rate and temperature dependence of crack growth and stacking faults in zirconium
T2  - Computational Materials Science
UR  - http://dx.doi.org/10.1016/j.commatsci.2022.111220
UR  - https://www.sciencedirect.com/science/article/pii/S0927025622000313?via%3Dihub
UR  - http://hdl.handle.net/10044/1/96104
VL  - 206
ER  -
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