Effect of helium bubbles on the mobility of edge dislocations in copper

Helium bubbles can form in materials upon exposure to irradiation. It is well known that the presence of helium bubbles can cause changes in the mechanical behavior of materials. To improve the lifetime of nuclear components, it is important to understand deformation mechanisms in helium-containing materials. In this work, we investigate the interactions between edge dislocations and helium bubbles in copper using molecular dynamics (MD) simulations. We focus on the effect of helium bubble pressure (equivalently, the helium-to-vacancy ratio) on the obstacle strength of helium bubbles and their interaction with dislocations. Our simulations predict significant differences in the interaction mechanisms as a function of helium bubble pressure. Specifically, bubbles with high internal pressure are found to exhibit weaker obstacle strength as compared to low-pressure bubbles of the same size due to the formation of super-jogs in the dislocation. Activation energies and rate constants extracted from the MD data confirm this transition in mechanism and enable upscaling of these phenomena to high length-scale models.

[1]  I. Beyerlein,et al.  Energetically favorable dislocation/nanobubble bypass mechanism in irradiation conditions , 2022, Acta Materialia.

[2]  Hesam Askari,et al.  Elastic and plastic deformation behavior of helium nano-bubbled single crystal copper: An atomistic simulation study , 2021 .

[3]  Anupam Neogi,et al.  Atomistic simulations of the strengthening effect of high-density bubble formation in helium irradiated single crystalline copper , 2018, Materialia.

[4]  E. Martínez,et al.  Loop and void damage during heavy ion irradiation on nanocrystalline and coarse grained tungsten: Microstructure, effect of dpa rate, temperature, and grain size , 2018 .

[5]  Lorenzo Malerba,et al.  On the onset of void swelling in pure tungsten under neutron irradiation: An object kinetic Monte Carlo approach , 2017 .

[6]  B. Wirth,et al.  Atomistic modeling of helium segregation to grain boundaries in tungsten and its effect on de-cohesion , 2017 .

[7]  F. Allen,et al.  Mechanical behavior of copper containing a gas-bubble superlattice , 2016 .

[8]  E. Ma,et al.  Nanobubble Fragmentation and Bubble-Free-Channel Shear Localization in Helium-Irradiated Submicron-Sized Copper. , 2016, Physical review letters.

[9]  E. Ma,et al.  Radiation-Induced Helium Nanobubbles Enhance Ductility in Submicron-Sized Single-Crystalline Copper. , 2016, Nano letters.

[10]  W. J. Weber,et al.  Formation and growth of stacking fault tetrahedra in Ni via vacancy aggregation mechanism , 2016 .

[11]  T. Tsuru,et al.  Effect of the dilation caused by helium bubbles on edge dislocation motion in α-iron: molecular dynamics simulation , 2016 .

[12]  Pierre Hirel,et al.  Atomsk: A tool for manipulating and converting atomic data files , 2015, Comput. Phys. Commun..

[13]  R. Stoller,et al.  Atomic-scale mechanisms of helium bubble hardening in iron☆ , 2015 .

[14]  E. Martínez,et al.  Helium segregation to screw and edge dislocations in α-iron and their yield strength , 2015 .

[15]  W. Curtin,et al.  Analysis of spurious image forces in atomistic simulations of dislocations , 2015 .

[16]  R. Stoller,et al.  An atomistic assessment of helium behavior in iron , 2014 .

[17]  S. Krasheninnikov,et al.  On the shear strength of tungsten nano-structures with embedded helium , 2013 .

[18]  Steven J. Zinkle,et al.  Materials Challenges in Nuclear Energy , 2013 .

[19]  M. Kawai,et al.  Dislocation Loop Formation and Growth under In Situ Laser and/or Electron Irradiation , 2011, Scientific reports.

[20]  V. Philipps Tungsten as material for plasma-facing components in fusion devices , 2011 .

[21]  M. Demkowicz,et al.  A predictive interatomic potential for He in Cu and Nb , 2011 .

[22]  Alexander Stukowski,et al.  Extracting dislocations and non-dislocation crystal defects from atomistic simulation data , 2010 .

[23]  R. Schäublin,et al.  Influence of the stress field due to pressurized nanometric He bubbles on the mobility of an edge dislocation in iron , 2010 .

[24]  M. Demkowicz,et al.  Simulations of Collision Cascades in Cu–Nb Layered Composites Using an EAM Interatomic Potential , 2009 .

[25]  M. Walls,et al.  Study by EELS of helium bubbles in a martensitic steel , 2009 .

[26]  G. Lucas,et al.  Atomistic simulation of He bubble in Fe as obstacle to dislocation , 2009 .

[27]  G. R. Odette,et al.  Helium effects on microstructural evolution in tempered martensitic steels: In situ helium implanter studies in HFIR , 2009 .

[28]  Robin Schäublin,et al.  Effect of helium on irradiation-induced hardening of iron: A simulation point of view , 2007 .

[29]  S. Jitsukawa,et al.  Molecular dynamics study on the formation of stacking fault tetrahedra and unfaulting of Frank loops in fcc metals , 2007 .

[30]  Brian D. Wirth,et al.  Multiscale modeling of radiation damage in Fe-based alloys in the fusion environment , 2004 .

[31]  J. M. Perlado,et al.  MD modeling of defects in Fe and their interactions , 2003 .

[32]  M. Eldrup,et al.  Accumulation of point defects and their complexes in irradiated metals as studied by the use of positron annihilation spectroscopy – a brief review , 2003 .

[33]  D. Bacon,et al.  Atomic modelling of strengthening mechanisms due to voids and copper precipitates in α-iron , 2003 .

[34]  D. Bacon,et al.  An atomic-level model for studying the dynamics of edge dislocations in metals , 2003 .

[35]  J. C. Hamilton,et al.  Dislocation nucleation and defect structure during surface indentation , 1998 .

[36]  K. C. Russell Phase instability under cascade damage irradiation , 1993 .

[37]  P. J. Maziasz,et al.  Overview of microstructural evolution in neutron-irradiated austenitic stainless steels , 1993 .

[38]  Steve Plimpton,et al.  Fast parallel algorithms for short-range molecular dynamics , 1993 .

[39]  Guinan,et al.  New mechanism of defect production in metals: A molecular-dynamics study of interstitial-dislocation-loop formation in high-energy displacement cascades. , 1991, Physical review letters.

[40]  N. Ghoniem Nucleation and growth theory of cavity evolution under conditions of cascade damage and high helium generation , 1990 .

[41]  Roger E. Stoller,et al.  The influence of helium on microstructural evolution: Implications for DT fusion reactors , 1990 .

[42]  W. G. Wolfer,et al.  Formation energies of helium-void complexes in nickel , 1989 .

[43]  R. Stoller,et al.  The effects of helium implantation on microstructural evolution in an austenitic alloy , 1988 .

[44]  H. C. Andersen,et al.  Molecular dynamics study of melting and freezing of small Lennard-Jones clusters , 1987 .

[45]  A. Lucas,et al.  Helium in metals , 1984 .

[46]  L. Rehn,et al.  Radiation-induced segregation in binary and ternary alloys , 1979 .

[47]  P. Johnson,et al.  Helium gas bubble lattices in face-centred-cubic metals , 1978, Nature.

[48]  W. D. Wilson,et al.  Atomistics of helium bubble formation in a face-centered-cubic metal , 1976 .

[49]  G. Was Phase Stability Under Irradiation , 2017 .

[50]  D. Hull,et al.  Chapter 10 – Strength of Crystalline Solids , 2011 .

[51]  A. Stukowski Modelling and Simulation in Materials Science and Engineering Visualization and analysis of atomistic simulation data with OVITO – the Open Visualization Tool , 2009 .

[52]  G. Choppin CHAPTER 4 – Unstable Nuclei and Radioactive Decay , 1995 .

[53]  J. D. Hosson,et al.  ATOMISTIC STUDIES OF HELIUM TRAPPING IN METALS , 1983 .

[54]  D. J. Reed A review of recent theoretical developments in the understanding of the migration of helium in metals and its interaction with lattice defects , 1977 .

[55]  H. Wiedersich On the theory of void formation during irradiation , 1972 .