The thermodynamic and kinetic interactions of He interstitial clusters with bubbles in W

Perez, Danny; Sandoval, Luis; Voter, Arthur F.; Uberuaga, Blas P.

doi:10.1063/1.4951706

The thermodynamic and kinetic interactions of He interstitial clusters with bubbles in W

Journal Article · Sat May 28 04:00:00 EDT 2016 · Journal of Applied Physics

DOI:https://doi.org/10.1063/1.4951706· OSTI ID:22596709

Perez, Danny; Sandoval, Luis; Voter, Arthur F. ^[1]; Uberuaga, Blas P. ^[2]

Theoretical Division T-1, Los Alamos National Laboratory, Los Alamos, New Mexico 87545 (United States)
Materials Science and Technology MST-8, Los Alamos National Laboratory, Los Alamos, New Mexico 87545 (United States)

Due to its enviable properties, tungsten is a leading candidate plasma facing material in nuclear fusion reactors. However, 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 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. We also uncover a number of mechanisms that can lead to the subsequent annihilation of such satellite nanobubbles.

OSTI ID:: 22596709

Journal Information:: Journal of Applied Physics, Journal Name: Journal of Applied Physics Journal Issue: 20 Vol. 119; ISSN JAPIAU; ISSN 0021-8979

Country of Publication:: United States

Language:: English

References (49)

On the low-temperature nucleation and growth of bubbles by helium bombardment of metals Baskes, M. I.; Fastenau, R. H. J.; Penning, P. Journal of Nuclear Materials, Vol. 102, Issue 3 https://doi.org/10.1016/0022-3115(81)90490-6	journal	December 1981
Molecular dynamics simulations of helium cluster formation in tungsten 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 https://doi.org/10.1016/j.nimb.2005.10.020	journal	March 2006
Accelerated Molecular Dynamics Methods: Introduction and Recent Developments Perez, Danny; Uberuaga, Blas P.; Shim, Yunsic Annual Reports in Computational Chemistry, Vol. 5, p. 79-98 https://doi.org/10.1016/s1574-1400(09)00504-0	book	January 2009
Materials for the plasma-facing components of fusion reactors Bolt, H.; Barabash, V.; Krauss, W. Journal of Nuclear Materials, Vol. 329-333 https://doi.org/10.1016/j.jnucmat.2004.04.005	journal	August 2004
Energetics and formation kinetics of helium bubbles in metals Trinkaus, H. Radiation Effects, Vol. 78, Issue 1-4 https://doi.org/10.1080/00337578308207371	journal	January 1983
Helium retention and early stages of helium-vacancy complexes formation in low energy helium-implanted tungsten Lhuillier, P. E.; Belhabib, T.; Desgardin, P. Journal of Nuclear Materials, Vol. 433, Issue 1-3 https://doi.org/10.1016/j.jnucmat.2012.09.001	journal	February 2013
Atomistic modeling of growth and coalescence of helium nano-bubbles in tungsten Smirnov, R. D.; Krasheninnikov, S. I.; Guterl, J. Journal of Nuclear Materials, Vol. 463 https://doi.org/10.1016/j.jnucmat.2014.10.033	journal	August 2015
He cluster dynamics in fusion related plasma facing materials Krasheninnikov, S. I.; Smirnov, R. D. Nuclear Fusion, Vol. 55, Issue 7 https://doi.org/10.1088/0029-5515/55/7/073005	journal	June 2015
Plasma–wall interaction issues in ITER Janeschitz, G. Journal of Nuclear Materials, Vol. 290-293 https://doi.org/10.1016/s0022-3115(00)00623-1	journal	March 2001
Tungsten surface evolution by helium bubble nucleation, growth and rupture Sefta, Faiza; Hammond, Karl D.; Juslin, Niklas Nuclear Fusion, Vol. 53, Issue 7 https://doi.org/10.1088/0029-5515/53/7/073015	journal	June 2013
Helium irradiation effects on deuterium retention in tungsten Sakoi, Yuki; Miyamoto, Mitsutaka; Ono, Kotaro Journal of Nuclear Materials, Vol. 442, Issue 1-3 https://doi.org/10.1016/j.jnucmat.2012.10.003	journal	November 2013
Visualization and analysis of atomistic simulation data with OVITO–the Open Visualization Tool Stukowski, Alexander Modelling and Simulation in Materials Science and Engineering, Vol. 18, Issue 1 https://doi.org/10.1088/0965-0393/18/1/015012	journal	December 2009
Parallel replica method for dynamics of infrequent events Voter, Arthur F. Physical Review B, Vol. 57, Issue 22 https://doi.org/10.1103/physrevb.57.r13985	journal	June 1998
Blister formation and deuterium retention on tungsten exposed to low energy and high flux deuterium plasma Tokunaga, K.; Baldwin, M. J.; Doerner, R. P. Journal of Nuclear Materials, Vol. 337-339 https://doi.org/10.1016/j.jnucmat.2004.10.137	journal	March 2005
On Estimation of a Probability Density Function and Mode Parzen, Emanuel The Annals of Mathematical Statistics, Vol. 33, Issue 3 https://doi.org/10.1214/aoms/1177704472	journal	September 1962
Formation mechanism of bubbles and holes on tungsten surface with low-energy and high-flux helium plasma irradiation in NAGDIS-II Nishijima, Dai; Ye, M. Y.; Ohno, N. Journal of Nuclear Materials, Vol. 329-333 https://doi.org/10.1016/j.jnucmat.2004.04.129	journal	August 2004
Direct time-resolved observation of tungsten nanostructured growth due to helium plasma exposure Fiflis, P.; Curreli, D.; Ruzic, D. N. Nuclear Fusion, Vol. 55, Issue 3 https://doi.org/10.1088/0029-5515/55/3/033020	journal	March 2015
The parallel replica dynamics method – Coming of age Perez, Danny; Uberuaga, Blas P.; Voter, Arthur F. Computational Materials Science, Vol. 100 https://doi.org/10.1016/j.commatsci.2014.12.011	journal	April 2015
A review of dust in fusion devices: Implications for safety and operational performance Sharpe, J. P.; Petti, D. A.; Bartels, H. -W Fusion Engineering and Design, Vol. 63-64 https://doi.org/10.1016/s0920-3796(02)00191-6	journal	December 2002
Diffusion and transformation kinetics of small Helium clusters in bulk Tungsten Perez, Danny; Vogel, Thomas; Uberuaga, Blas P. arXiv https://doi.org/10.48550/arxiv.1406.6418	text	January 2014
Thermal stability of helium–vacancy clusters in iron Morishita, K.; Sugano, R.; Wirth, B. D. Nuclear Instruments and Methods in Physics Research Section B: Beam Interactions with Materials and Atoms, Vol. 202 https://doi.org/10.1016/s0168-583x(02)01832-3	journal	April 2003
A mathematical formalization of the parallel replica dynamics Le Bris, Claude; Lelièvre, Tony; Luskin, Mitchell Monte Carlo Methods and Applications, Vol. 18, Issue 2 https://doi.org/10.1515/mcma-2012-0003	journal	January 2012
A new interatomic potential function for helium Beck, D. E. Molecular Physics, Vol. 15, Issue 3, p. 332-332 https://doi.org/10.1080/00268976800101171	journal	January 1968
An improved N -body semi-empirical model for body-centred cubic transition metals Ackland, G. J.; Thetford, R. Philosophical Magazine A, Vol. 56, Issue 1 https://doi.org/10.1080/01418618708204464	journal	July 1987
Diffusion and transformation kinetics of small helium clusters in bulk tungsten Perez, Danny; Vogel, Thomas; Uberuaga, Blas P. Physical Review B, Vol. 90, Issue 1 https://doi.org/10.1103/physrevb.90.014102	journal	July 2014
Measuring helium bubble diameter distributions in tungsten with grazing incidence small angle x-ray scattering (GISAXS) Thompson, M.; Kluth, P.; Doerner, R. P. Physica Scripta, Vol. T167 https://doi.org/10.1088/0031-8949/2016/t167/014014	journal	January 2016
Helium bubble bursting in tungsten Sefta, Faiza; Juslin, Niklas; Wirth, Brian D. Journal of Applied Physics, Vol. 114, Issue 24 https://doi.org/10.1063/1.4860315	journal	December 2013
Interatomic potentials for simulation of He bubble formation in W Juslin, N.; Wirth, B. D. Journal of Nuclear Materials, Vol. 432, Issue 1-3 https://doi.org/10.1016/j.jnucmat.2012.07.023	journal	January 2013
Microstructure evolution in tungsten during low-energy helium ion irradiation Iwakiri, H.; Yasunaga, K.; Morishita, K. Journal of Nuclear Materials, Vol. 283-287 https://doi.org/10.1016/s0022-3115(00)00289-0	journal	December 2000
Vacancy creation by helium trapping at substitutional krypton in tungsten Van VEEN, A.; Caspers, L. M.; Kornelsen, E. V. Physica Status Solidi (a), Vol. 40, Issue 1 https://doi.org/10.1002/pssa.2210400131	journal	March 1977
Helium induced nanoscopic morphology on tungsten under fusion relevant plasma conditions Baldwin, M. J.; Doerner, R. P. Nuclear Fusion, Vol. 48, Issue 3 https://doi.org/10.1088/0029-5515/48/3/035001	journal	January 2008
Helium segregation on surfaces of plasma-exposed tungsten Maroudas, Dimitrios; Blondel, Sophie; Hu, Lin Journal of Physics: Condensed Matter, Vol. 28, Issue 6 https://doi.org/10.1088/0953-8984/28/6/064004	journal	January 2016
A mathematical formalization of the parallel replica dynamics Bris, C. Le; Lelièvre, T.; Luskin, M. arXiv https://doi.org/10.48550/arxiv.1105.4636	preprint	January 2011
Self-trapping of helium in metals Wilson, W. D.; Bisson, C. L.; Baskes, M. I. Physical Review B, Vol. 24, Issue 10 https://doi.org/10.1103/physrevb.24.5616	journal	November 1981
Kinetics of helium self-trapping in metals Baskes, M. I.; Wilson, W. D. Physical Review B, Vol. 27, Issue 4 https://doi.org/10.1103/physrevb.27.2210	journal	February 1983
Interactions of Point Defects and Elastic Inclusions Moon, Francis C.; Pao, Yih‐Hsing Journal of Applied Physics, Vol. 38, Issue 2 https://doi.org/10.1063/1.1709380	journal	February 1967
Loop punching and bubble rupture causing surface roughening —A model for W fuzz growth Lasa, A.; Tähtinen, S. K.; Nordlund, K. EPL (Europhysics Letters), Vol. 105, Issue 2 https://doi.org/10.1209/0295-5075/105/25002	journal	January 2014
Fast Parallel Algorithms for Short-Range Molecular Dynamics Plimpton, Steve Journal of Computational Physics, Vol. 117, Issue 1 https://doi.org/10.1006/jcph.1995.1039	journal	March 1995
Automated identification and indexing of dislocations in crystal interfaces Stukowski, Alexander; Bulatov, Vasily V.; Arsenlis, Athanasios Modelling and Simulation in Materials Science and Engineering, Vol. 20, Issue 8 https://doi.org/10.1088/0965-0393/20/8/085007	journal	October 2012
Theory of hydrogen and helium impurities in metals Puska, M. J.; Nieminen, R. M. Physical Review B, Vol. 29, Issue 10 https://doi.org/10.1103/physrevb.29.5382	journal	May 1984
A new interatomic potential function for helium Beck, D. E. Molecular Physics, Vol. 14, Issue 4 https://doi.org/10.1080/00268976800100381	journal	January 1968
The effects of high fluence mixed-species (deuterium, helium, beryllium) plasma interactions with tungsten Baldwin, M. J.; Doerner, R. P.; Nishijima, D. Journal of Nuclear Materials, Vol. 390-391 https://doi.org/10.1016/j.jnucmat.2009.01.247	journal	June 2009
Molecular-dynamics analysis of mobile helium cluster reactions near surfaces of plasma-exposed tungsten Hu, Lin; Hammond, Karl D.; Wirth, Brian D. Journal of Applied Physics, Vol. 118, Issue 16 https://doi.org/10.1063/1.4933393	journal	October 2015
Competing Kinetics and He Bubble Morphology in W Sandoval, Luis; Perez, Danny; Uberuaga, Blas P. Physical Review Letters, Vol. 114, Issue 10 https://doi.org/10.1103/physrevlett.114.105502	journal	March 2015
Dynamics of small mobile helium clusters near tungsten surfaces Hu, Lin; Hammond, Karl D.; Wirth, Brian D. Surface Science, Vol. 626 https://doi.org/10.1016/j.susc.2014.03.020	journal	August 2014
Probing helium nano-bubble formation in tungsten with grazing incidence small angle x-ray scattering Thompson, M.; Kluth, P.; Doerner, R. P. Nuclear Fusion, Vol. 55, Issue 4 https://doi.org/10.1088/0029-5515/55/4/042001	journal	March 2015
Formation of Nanostructured Tungsten with Arborescent Shape due to Helium Plasma Irradiation Takamura, Shuichi; Ohno, Noriyasu; Nishijima, Dai Plasma and Fusion Research, Vol. 1 https://doi.org/10.1585/pfr.1.051	journal	January 2006
Viscoelastic model of tungsten ‘fuzz’ growth Krasheninnikov, S. I. Physica Scripta, Vol. T145 https://doi.org/10.1088/0031-8949/2011/t145/014040	journal	December 2011
Helium impurity transport on grain boundaries: Enhanced or inhibited? Hammond, Karl D.; Hu, Lin; Maroudas, Dimitrios EPL (Europhysics Letters), Vol. 110, Issue 5 https://doi.org/10.1209/0295-5075/110/52002	journal	June 2015

Cited By (6)

An Overview of Recent Standard and Accelerated Molecular Dynamics Simulations of Helium Behavior in Tungsten Sandoval, Luis; Perez, Danny; Uberuaga, Blas P. Materials, Vol. 12, Issue 16 https://doi.org/10.3390/ma12162500	journal	August 2019
Effect of W self-implantation and He plasma exposure on early-stage defect and bubble formation in tungsten Thompson, M.; Drummond, D.; Sullivan, J. Nuclear Fusion, Vol. 58, Issue 6 https://doi.org/10.1088/1741-4326/aab96c	journal	April 2018
Theoretical Model of Helium Bubble Growth and Density in Plasma-Facing Metals Hammond, Karl D.; Maroudas, Dimitrios; Wirth, Brian D. Scientific Reports, Vol. 10, Issue 1 https://doi.org/10.1038/s41598-020-58581-8	journal	February 2020
Helium in-plane migration behavior on 〈1 0 0〉 symmetric tilt grain boundaries in tungsten Yang, Zhuocen; Hammond, Karl D. Journal of Physics: Condensed Matter, Vol. 30, Issue 32 https://doi.org/10.1088/1361-648X/aad0bc	journal	July 2018
The mobility of small vacancy/helium complexes in tungsten and its impact on retention in fusion-relevant conditions Perez, Danny; Sandoval, Luis; Blondel, Sophie Scientific Reports, Vol. 7, Issue 1 https://doi.org/10.1038/s41598-017-02428-2	journal	May 2017
Helium flux effects on bubble growth and surface morphology in plasma-facing tungsten from large-scale molecular dynamics simulations Hammond, Karl D.; Naeger, Ian V.; Widanagamaachchi, Wathsala Nuclear Fusion, Vol. 59, Issue 6 https://doi.org/10.1088/1741-4326/ab12f6	journal	May 2019

Similar Records

The thermodynamic and kinetic interactions of He interstitial clusters with bubbles in W

Journal Article · Wed May 25 20:00:00 EDT 2016 · Journal of Applied Physics · OSTI ID:1414089

Formation of helium-bubble networks in tungsten

Journal Article · Sun Aug 05 20:00:00 EDT 2018 · Acta Materialia · OSTI ID:1543506

Atomistic studies of formation and diffusion of helium clusters and bubbles in BCC iron

Journal Article · Fri Dec 31 23:00:00 EST 2010 · Journal of Nuclear Materials · OSTI ID:1030995

Related Subjects

70 PLASMA PHYSICS AND FUSION TECHNOLOGY
71 CLASSICAL AND QUANTUM MECHANICS
GENERAL PHYSICS
75 CONDENSED MATTER PHYSICS
SUPERCONDUCTIVITY AND SUPERFLUIDITY
ANNIHILATION
ATOMS
BUBBLES
CONTAMINATION
DOSES
FIRST WALL
HELIUM
KINETICS
MECHANICAL PROPERTIES
MICROSTRUCTURE
MOLECULAR DYNAMICS METHOD
NANOSTRUCTURES
NUCLEATION
PLASMA
SIMULATION
THERMODYNAMICS
THERMONUCLEAR REACTORS
TUNGSTEN

The thermodynamic and kinetic interactions of He interstitial clusters with bubbles in W

Citation Formats

References (49)

Cited By (6)

Similar Records

Related Subjects