The thermodynamic and kinetic interactions of He interstitial clusters with bubbles in W
Abstract
Due to its enviable properties, tungsten is a leading candidate plasma facing material in nuclear fusion reactors. But, like many other metals, tungsten is known to be affected by the high doses of helium atoms incoming from the plasma. Indeed, the implanted interstitial helium atoms cluster together and, upon reaching a critical cluster size, convert into substitutional nanoscale He bubbles. These bubbles then grow by absorbing further interstitial clusters from the matrix. This process can lead to deleterious changes in microstructure, degradation of mechanical properties, and contamination of the plasma. In order to better understand the growth process, we use traditional and accelerated molecular dynamics simulations to investigate the interactions between interstitial He clusters and pre-existing bubbles. These interactions are characterized in terms of thermodynamics and kinetics. We also show that the proximity of the bubble leads to an enhancement of the trap mutation rate and, consequently, to the nucleation of satellite bubbles in the neighborhood of existing ones. Finally, we uncover a number of mechanisms that can lead to the subsequent annihilation of such satellite nanobubbles.
- Authors:
-
- Los Alamos National Lab. (LANL), Los Alamos, NM (United States)
- Los Alamos National Lab. (LANL), Los Alamos, NM (United States). Materials Science and Technology MST-8
- Publication Date:
- Research Org.:
- Los Alamos National Laboratory (LANL), Los Alamos, NM (United States)
- Sponsoring Org.:
- USDOE Office of Science (SC). Advanced Scientific Computing Research (ASCR) (SC-21); USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22). Materials Sciences & Engineering Division; USDOE National Nuclear Security Administration (NNSA)
- OSTI Identifier:
- 1414089
- Alternate Identifier(s):
- OSTI ID: 1254522
- Report Number(s):
- LA-UR-16-22259
Journal ID: ISSN 0021-8979; TRN: US1800624
- Grant/Contract Number:
- AC52-06NA25396; AC02-05CH11231
- Resource Type:
- Accepted Manuscript
- Journal Name:
- Journal of Applied Physics
- Additional Journal Information:
- Journal Volume: 119; Journal Issue: 20; Journal ID: ISSN 0021-8979
- Publisher:
- American Institute of Physics (AIP)
- Country of Publication:
- United States
- Language:
- English
- Subject:
- 36 MATERIALS SCIENCE; 70 PLASMA PHYSICS AND FUSION TECHNOLOGY; Material Science; Magnetic Fusion Energy
Citation Formats
Perez, Danny, Sandoval, Luis, Uberuaga, Blas P., and Voter, Arthur F. The thermodynamic and kinetic interactions of He interstitial clusters with bubbles in W. United States: N. p., 2016.
Web. doi:10.1063/1.4951706.
Perez, Danny, Sandoval, Luis, Uberuaga, Blas P., & Voter, Arthur F. The thermodynamic and kinetic interactions of He interstitial clusters with bubbles in W. United States. https://doi.org/10.1063/1.4951706
Perez, Danny, Sandoval, Luis, Uberuaga, Blas P., and Voter, Arthur F. Thu .
"The thermodynamic and kinetic interactions of He interstitial clusters with bubbles in W". United States. https://doi.org/10.1063/1.4951706. https://www.osti.gov/servlets/purl/1414089.
@article{osti_1414089,
title = {The thermodynamic and kinetic interactions of He interstitial clusters with bubbles in W},
author = {Perez, Danny and Sandoval, Luis and Uberuaga, Blas P. and Voter, Arthur F.},
abstractNote = {Due to its enviable properties, tungsten is a leading candidate plasma facing material in nuclear fusion reactors. But, like many other metals, tungsten is known to be affected by the high doses of helium atoms incoming from the plasma. Indeed, the implanted interstitial helium atoms cluster together and, upon reaching a critical cluster size, convert into substitutional nanoscale He bubbles. These bubbles then grow by absorbing further interstitial clusters from the matrix. This process can lead to deleterious changes in microstructure, degradation of mechanical properties, and contamination of the plasma. In order to better understand the growth process, we use traditional and accelerated molecular dynamics simulations to investigate the interactions between interstitial He clusters and pre-existing bubbles. These interactions are characterized in terms of thermodynamics and kinetics. We also show that the proximity of the bubble leads to an enhancement of the trap mutation rate and, consequently, to the nucleation of satellite bubbles in the neighborhood of existing ones. Finally, we uncover a number of mechanisms that can lead to the subsequent annihilation of such satellite nanobubbles.},
doi = {10.1063/1.4951706},
journal = {Journal of Applied Physics},
number = 20,
volume = 119,
place = {United States},
year = {Thu May 26 00:00:00 EDT 2016},
month = {Thu May 26 00:00:00 EDT 2016}
}
Web of Science
Works referenced in this record:
Tungsten surface evolution by helium bubble nucleation, growth and rupture
journal, June 2013
- Sefta, Faiza; Hammond, Karl D.; Juslin, Niklas
- Nuclear Fusion, Vol. 53, Issue 7
Self-trapping of helium in metals
journal, November 1981
- Wilson, W. D.; Bisson, C. L.; Baskes, M. I.
- Physical Review B, Vol. 24, Issue 10
Energetics and formation kinetics of helium bubbles in metals
journal, January 1983
- Trinkaus, H.
- Radiation Effects, Vol. 78, Issue 1-4
Formation mechanism of bubbles and holes on tungsten surface with low-energy and high-flux helium plasma irradiation in NAGDIS-II
journal, August 2004
- Nishijima, Dai; Ye, M. Y.; Ohno, N.
- Journal of Nuclear Materials, Vol. 329-333
Materials for the plasma-facing components of fusion reactors
journal, August 2004
- Bolt, H.; Barabash, V.; Krauss, W.
- Journal of Nuclear Materials, Vol. 329-333
Direct time-resolved observation of tungsten nanostructured growth due to helium plasma exposure
journal, March 2015
- Fiflis, P.; Curreli, D.; Ruzic, D. N.
- Nuclear Fusion, Vol. 55, Issue 3
Interactions of Point Defects and Elastic Inclusions
journal, February 1967
- Moon, Francis C.; Pao, Yih‐Hsing
- Journal of Applied Physics, Vol. 38, Issue 2
Helium bubble bursting in tungsten
journal, December 2013
- Sefta, Faiza; Juslin, Niklas; Wirth, Brian D.
- Journal of Applied Physics, Vol. 114, Issue 24
Diffusion and transformation kinetics of small helium clusters in bulk tungsten
journal, July 2014
- Perez, Danny; Vogel, Thomas; Uberuaga, Blas P.
- Physical Review B, Vol. 90, Issue 1
Helium segregation on surfaces of plasma-exposed tungsten
journal, January 2016
- Maroudas, Dimitrios; Blondel, Sophie; Hu, Lin
- Journal of Physics: Condensed Matter, Vol. 28, Issue 6
He cluster dynamics in fusion related plasma facing materials
journal, June 2015
- Krasheninnikov, S. I.; Smirnov, R. D.
- Nuclear Fusion, Vol. 55, Issue 7
Blister formation and deuterium retention on tungsten exposed to low energy and high flux deuterium plasma
journal, March 2005
- Tokunaga, K.; Baldwin, M. J.; Doerner, R. P.
- Journal of Nuclear Materials, Vol. 337-339
Dynamics of small mobile helium clusters near tungsten surfaces
journal, August 2014
- Hu, Lin; Hammond, Karl D.; Wirth, Brian D.
- Surface Science, Vol. 626
Atomistic modeling of growth and coalescence of helium nano-bubbles in tungsten
journal, August 2015
- Smirnov, R. D.; Krasheninnikov, S. I.; Guterl, J.
- Journal of Nuclear Materials, Vol. 463
Viscoelastic model of tungsten ‘fuzz’ growth
journal, December 2011
- Krasheninnikov, S. I.
- Physica Scripta, Vol. T145
Formation of Nanostructured Tungsten with Arborescent Shape due to Helium Plasma Irradiation
journal, January 2006
- Takamura, Shuichi; Ohno, Noriyasu; Nishijima, Dai
- Plasma and Fusion Research, Vol. 1
Thermal stability of helium–vacancy clusters in iron
journal, April 2003
- Morishita, K.; Sugano, R.; Wirth, B. D.
- Nuclear Instruments and Methods in Physics Research Section B: Beam Interactions with Materials and Atoms, Vol. 202
Plasma–wall interaction issues in ITER
journal, March 2001
- Janeschitz, G.
- Journal of Nuclear Materials, Vol. 290-293
An improved N -body semi-empirical model for body-centred cubic transition metals
journal, July 1987
- Ackland, G. J.; Thetford, R.
- Philosophical Magazine A, Vol. 56, Issue 1
Probing helium nano-bubble formation in tungsten with grazing incidence small angle x-ray scattering
journal, March 2015
- Thompson, M.; Kluth, P.; Doerner, R. P.
- Nuclear Fusion, Vol. 55, Issue 4
A mathematical formalization of the parallel replica dynamics
journal, January 2012
- Le Bris, Claude; Lelièvre, Tony; Luskin, Mitchell
- Monte Carlo Methods and Applications, Vol. 18, Issue 2
Helium retention and early stages of helium-vacancy complexes formation in low energy helium-implanted tungsten
journal, February 2013
- Lhuillier, P. E.; Belhabib, T.; Desgardin, P.
- Journal of Nuclear Materials, Vol. 433, Issue 1-3
Automated identification and indexing of dislocations in crystal interfaces
journal, October 2012
- Stukowski, Alexander; Bulatov, Vasily V.; Arsenlis, Athanasios
- Modelling and Simulation in Materials Science and Engineering, Vol. 20, Issue 8
Fast Parallel Algorithms for Short-Range Molecular Dynamics
journal, March 1995
- Plimpton, Steve
- Journal of Computational Physics, Vol. 117, Issue 1
Microstructure evolution in tungsten during low-energy helium ion irradiation
journal, December 2000
- Iwakiri, H.; Yasunaga, K.; Morishita, K.
- Journal of Nuclear Materials, Vol. 283-287
On the low-temperature nucleation and growth of bubbles by helium bombardment of metals
journal, December 1981
- Baskes, M. I.; Fastenau, R. H. J.; Penning, P.
- Journal of Nuclear Materials, Vol. 102, Issue 3
On Estimation of a Probability Density Function and Mode
journal, September 1962
- Parzen, Emanuel
- The Annals of Mathematical Statistics, Vol. 33, Issue 3
Visualization and analysis of atomistic simulation data with OVITO–the Open Visualization Tool
journal, December 2009
- Stukowski, Alexander
- Modelling and Simulation in Materials Science and Engineering, Vol. 18, Issue 1
A new interatomic potential function for helium
journal, January 1968
- Beck, D. E.
- Molecular Physics, Vol. 14, Issue 4
Loop punching and bubble rupture causing surface roughening —A model for W fuzz growth
journal, January 2014
- Lasa, A.; Tähtinen, S. K.; Nordlund, K.
- EPL (Europhysics Letters), Vol. 105, Issue 2
The parallel replica dynamics method – Coming of age
journal, April 2015
- Perez, Danny; Uberuaga, Blas P.; Voter, Arthur F.
- Computational Materials Science, Vol. 100
The effects of high fluence mixed-species (deuterium, helium, beryllium) plasma interactions with tungsten
journal, June 2009
- Baldwin, M. J.; Doerner, R. P.; Nishijima, D.
- Journal of Nuclear Materials, Vol. 390-391
Helium irradiation effects on deuterium retention in tungsten
journal, November 2013
- Sakoi, Yuki; Miyamoto, Mitsutaka; Ono, Kotaro
- Journal of Nuclear Materials, Vol. 442, Issue 1-3
A new interatomic potential function for helium
journal, January 1968
- Beck, D. E.
- Molecular Physics, Vol. 15, Issue 3, p. 332-332
Molecular-dynamics analysis of mobile helium cluster reactions near surfaces of plasma-exposed tungsten
journal, October 2015
- Hu, Lin; Hammond, Karl D.; Wirth, Brian D.
- Journal of Applied Physics, Vol. 118, Issue 16
Helium impurity transport on grain boundaries: Enhanced or inhibited?
journal, June 2015
- Hammond, Karl D.; Hu, Lin; Maroudas, Dimitrios
- EPL (Europhysics Letters), Vol. 110, Issue 5
Vacancy creation by helium trapping at substitutional krypton in tungsten
journal, March 1977
- Van VEEN, A.; Caspers, L. M.; Kornelsen, E. V.
- Physica Status Solidi (a), Vol. 40, Issue 1
Interatomic potentials for simulation of He bubble formation in W
journal, January 2013
- Juslin, N.; Wirth, B. D.
- Journal of Nuclear Materials, Vol. 432, Issue 1-3
A review of dust in fusion devices: Implications for safety and operational performance
journal, December 2002
- Sharpe, J. P.; Petti, D. A.; Bartels, H. -W
- Fusion Engineering and Design, Vol. 63-64
Molecular dynamics simulations of helium cluster formation in tungsten
journal, March 2006
- Henriksson, K. O. E.; Nordlund, K.; Keinonen, J.
- Nuclear Instruments and Methods in Physics Research Section B: Beam Interactions with Materials and Atoms, Vol. 244, Issue 2
Parallel replica method for dynamics of infrequent events
journal, June 1998
- Voter, Arthur F.
- Physical Review B, Vol. 57, Issue 22
Competing Kinetics and He Bubble Morphology in W
journal, March 2015
- Sandoval, Luis; Perez, Danny; Uberuaga, Blas P.
- Physical Review Letters, Vol. 114, Issue 10
Helium induced nanoscopic morphology on tungsten under fusion relevant plasma conditions
journal, January 2008
- Baldwin, M. J.; Doerner, R. P.
- Nuclear Fusion, Vol. 48, Issue 3
A mathematical formalization of the parallel replica dynamics
preprint, January 2011
- Bris, C. Le; Lelièvre, T.; Luskin, M.
- arXiv
Diffusion and transformation kinetics of small Helium clusters in bulk Tungsten
text, January 2014
- Perez, Danny; Vogel, Thomas; Uberuaga, Blas P.
- arXiv
Works referencing / citing this record:
Effect of W self-implantation and He plasma exposure on early-stage defect and bubble formation in tungsten
journal, April 2018
- Thompson, M.; Drummond, D.; Sullivan, J.
- Nuclear Fusion, Vol. 58, Issue 6
Helium flux effects on bubble growth and surface morphology in plasma-facing tungsten from large-scale molecular dynamics simulations
journal, May 2019
- Hammond, Karl D.; Naeger, Ian V.; Widanagamaachchi, Wathsala
- Nuclear Fusion, Vol. 59, Issue 6
An Overview of Recent Standard and Accelerated Molecular Dynamics Simulations of Helium Behavior in Tungsten
journal, August 2019
- Sandoval, Luis; Perez, Danny; Uberuaga, Blas P.
- Materials, Vol. 12, Issue 16
The mobility of small vacancy/helium complexes in tungsten and its impact on retention in fusion-relevant conditions
journal, May 2017
- Perez, Danny; Sandoval, Luis; Blondel, Sophie
- Scientific Reports, Vol. 7, Issue 1
Theoretical Model of Helium Bubble Growth and Density in Plasma-Facing Metals
journal, February 2020
- Hammond, Karl D.; Maroudas, Dimitrios; Wirth, Brian D.
- Scientific Reports, Vol. 10, Issue 1
An Overview of Recent Standard and Accelerated Molecular Dynamics Simulations of Helium Behavior in Tungsten
journal, August 2019
- Sandoval, Luis; Perez, Danny; Uberuaga, Blas P.
- Materials, Vol. 12, Issue 16