Pith. sign in

REVIEW 4 major objections 6 minor 114 references

Study of helium diffusion in yttria: A multiscale approach based on the density functional theory and kinetic Monte Carlo, with transmission electron microscopy and thermo-desorption spectroscopy

T0 review · 4 major / 6 minor · reviewed 2026-08-12 · deepseek-v4-flash

Challenge this review Re-run · record.json Download PDF Read on arXiv ↗ Review JSON

Pith's one-line read This paper claims that interstitial helium diffusion in yttria follows an Arrhenius law with activation energy 0.70 eV, and that TDS plateau measurements of 0.73–0.87 eV confirm interstitial migration as the dominant early helium release…

desk verdict A useful first DFT+KMC diffusion coefficient for He in yttria, with new TDS/TEM data, but the claimed TDS confirmation of the DFT barrier rests on a model assumption that makes the experimental activation energies detrapping energies, not migration barriers. read the letter →

arxiv 2411.16811 v1 pith:74KMCVP5 submitted 2024-11-25 cond-mat.mtrl-sci

Vinicius Oliveira Cavalcanti (IJCLab) , Jérôme Roques (IJCLab) , Denis Horlait (LP2I - Bordeaux) , Eric Gilabert (LP2I - Bordeaux) , Guillaume Riant (IJCLab) , Thomas Colombeau-Bedos (ICSM) , Nicolas Clavier (ICSM) , Aurélie Gentils (IJCLab) This is my paper · ORCID
classification cond-mat.mtrl-sci
keywords heliumdiffusionyttria(Y2O3)densityfunctionaltheorykineticMonteCarlonudgedelasticbandthermo-desorptionspectroscopytransmissionelectronmicroscopyODSsteel
verification ladder T0 review T1 audit T2 compute T3 formal

The pith

A machine-rendered reading of the paper's core claim, the machinery that carries it, and where it could break.

The reading

This paper sets out to establish how helium moves through yttrium oxide (Y$_2$O$_3$), the oxide nanoparticles dispersed in oxide-dispersion-strengthened steels proposed for future fusion and fission reactors. Using density functional theory, nudged-elastic-band transition searches, kinetic Monte Carlo, and two experimental probes, it claims that interstitial helium diffusion is slow below roughly 600 K and follows $D = 1.25 \times 10^{-7} \exp(-0.70\,\mathrm{eV}/k_B T)$ $\mathrm{m^2\,s^{-1}}$. Thermo-desorption spectroscopy on helium-implanted yttria gives apparent activation energies of 0.73–0.87 eV in the low-temperature release region, which the authors read as confirmation that interstitial migration controls early helium release. Transmission electron microscopy detects no visible bubbles up to $1 \times 10^{16}$ cm$^{-2}$, consistent with helium spreading among interstitial and vacancy sites rather than clustering. If correct, this diffusion law is a missing input for predicting whether yttria nanoparticles trap helium or let it pass through.

What carries the argument

The load-bearing machinery is the three-site interstitial network of yttria: the 8b (S1), 16c (S2) and centre (S3) helium insertion sites, connected by nudged-elastic-band migration barriers. The asymmetry of the S1–S2 and S2–S3 barriers makes the walk anisotropic, and the high S1–S3 barrier keeps diffusion on a connected sub-network. Harmonic transition-state theory converts the barriers and local vibrational frequencies into jump rates; kinetic Monte Carlo then evolves a three-dimensional helium trajectory, and the mean-square displacement yields the diffusion coefficient at each temperature. On the experimental side, a two-population Fick diffusion/detrapping model, solved by finite elements and fitted to TDS plateau release curves, provides apparent diffusion coefficients whose low-temperature slope can be compared directly with the DFT Arrhenius line.

What would settle it

A concrete test: take a single micrograined yttria sample, empty the shallow traps with a first low-temperature anneal, then re-implant and run isothermal TDS plateaux with temperature steps of 10 K or less across 450–700 K. If the extracted activation energy stays at 0.70 ± 0.05 eV regardless of fluence and annealing history, interstitial migration is confirmed; a systematic shift toward higher values with fluence would show that detrapping and retrapping, not lattice migration, set the apparent barrier.

Watch

Extended reading notes

Core claim

The central discovery claimed is a complete chain from atomic structure to a macroscopic diffusion law. In the 80-atom bixbyite yttria cell, helium prefers the 16c interstitial site, with the 8b and centre sites higher in energy; the most probable jumps are the S1–S2 pair with barriers 0.17/0.31 eV and the S2–S3 pair with 0.37/0.80 eV, while S1–S3 is nearly forbidden at 2.35/2.64 eV. Feeding harmonic transition-state jump rates into kinetic Monte Carlo yields the interstitial diffusion coefficient above, roughly three orders of magnitude lower than the authors' earlier value for pure iron at 1000 K. Charged yttrium vacancies trap helium with an escape barrier of at least 1.39 eV, and helium atoms distribute across available interstitial and vacancy sites rather than accumulating in a dense cluster. On the experimental side, 50 keV helium implanted in nanograined and micrograined yttria desorbs in two temperature regions; fitting the low-temperature TDS plateaux gives activation energies of 0.777, 0.730 and 0.871 eV for the three fluence/grain-size combinations, close enough to 0.70 eV for the authors to conclude that early release is interstitial diffusion.

Load-bearing premise

The TDS model assumes that once helium escapes a trap it diffuses to the surface essentially instantly, so that if real lattice migration after detrapping is not fast, the measured 0.73–0.87 eV values are trap-escape energies rather than confirmation of the computed 0.70 eV interstitial barrier.

Editorial extensions

If this is right

  • Yttria nanoparticles should retain helium at temperatures below roughly 600 K, because the computed interstitial mobility is negligible there.
  • The near-equality of DFT (0.70 eV) and TDS (0.73–0.87 eV) activation energies implies that the low-temperature release peak in implanted yttria is set by interstitial migration, not by vacancy detrapping.
  • Helium should spread over many interstitial and vacancy sites rather than nucleate dense clusters, consistent with the absence of TEM-visible bubbles at the highest studied fluence.
  • Irradiation-induced charged vacancies should further suppress helium mobility in yttria, since the computed escape barrier from a charged yttrium vacancy is at least 1.39 eV.
  • Grain-boundary density matters: nanograined samples release helium earlier and show higher effective diffusion coefficients at low temperature than micrograined samples.

Reading between the lines

Editorial extensions of the paper, not claims the author makes directly.

  • Going beyond the paper: if the 0.70 eV barrier is used in whole-material models of ODS steels, the rate-limiting step for helium management may move to the iron/yttria interface, which the authors name as the next study; the interface, not the oxide bulk, could decide whether helium is trapped or released.
  • Going beyond the paper: the large gap between the DFT pre-factor ($1.25 \times 10^{-7}\,\mathrm{m^2\,s^{-1}}$) and the TDS pre-factors ($\sim 10^{-11}\,\mathrm{m^2\,s^{-1}}$) suggests the TDS model's apparent detrapping constant absorbs repeated retrapping events; a testable prediction is that fitted $D_0$ should decrease with increasing fluence while the activation energy stays near 0.7 eV.
  • Going beyond the paper: applying the same pipeline to Y-Ti-O phases ($\mathrm{Y_2Ti_2O_7}$ and $\mathrm{Y_2TiO_5}$) is the natural next step, because those phases, not pure yttria, are often the dominant nanofeatures in real ODS steels.
  • Going beyond the paper: the second TDS region (activation energies 2.9–4.0 eV and very high pre-factors) rests on only one or two points per sample; longer plateaux and smaller temperature steps could reveal whether it represents detrapping from extended defects or closed porosity rather than a distinct lattice migration channel.
Share X Bluesky LinkedIn Reddit HN

Editorial analysis

A structured set of objections, weighed in public.

Desk editor's note, referee report, and a circularity audit.

Referee Report

4 major / 6 minor

Summary. The paper combines DFT, NEB, and KMC to study helium interstitial diffusion in yttria, obtaining D = 1.25e-7 exp(-0.70 eV/kT) m2/s, and extends the model to neutral and charged vacancies. Experimentally, the authors implant He into nanograined and micrograined yttria, characterize samples by TEM and TDS, and fit a two-trap diffusion model to TDS plateaus. They report apparent activation energies of 0.73-0.87 eV in the low-temperature region and interpret the proximity to the DFT value as confirmation that interstitial diffusion dominates early He release.

Significance. If the central comparison holds, the work would provide a useful reference for helium behavior in ODS steel oxide particles, where little experimental data exist. The DFT part is solidly anchored to previous calculations: lattice parameter, insertion energies, and the S1-S2 and S2-S3 migration barriers agree with literature. The KMC-derived Arrhenius expression is a new result for yttria, and the TEM/TDS dataset on two grain sizes is a valuable experimental contribution. However, the confirmatory link between TDS and DFT depends on model assumptions that are not fully justified, so the significance should be evaluated after those points are addressed.

major comments (4)
  1. [§3.2.2.2, Eq. (11), Table 3] The TDS model assumes that once He leaves a trap it diffuses quasi-instantaneously to the surface, with retrapping absorbed into an 'apparent detrapping constant.' Under this assumption, the fitted D0 and Ea values in Table 3 are effective detrapping parameters, not lattice diffusion coefficients. The claim that the TDS activation energies (0.730-0.871 eV) confirm the DFT interstitial migration barrier (0.70 eV) therefore does not follow as stated. To make the comparison valid, the authors should either (i) identify the first trap state as an interstitial position and show that the detrapping energy for that state equals the DFT migration energy, or (ii) relax the quasi-instantaneous assumption by including finite lattice diffusion after detrapping and refitting the model. As written, the confirmation is an artifact of the model's rate-limiting step.
  2. [§3.1.4, Eqs. (3)-(8)] The attempt-frequency expressions derived from Vineyard theory are referenced as 'seen in the following equations' but are not actually displayed in the manuscript. These expressions determine the KMC jump rates and hence the pre-exponential factor D0, so the reported DFT/KMC diffusion coefficient is not reproducible without them. The authors should provide the explicit formulas for all six jump frequencies.
  3. [§3.1.4, Figure 11] No KMC convergence analysis is presented: the manuscript only states that 200,000 steps were used per simulation. The diffusion coefficient should be checked for convergence with respect to the number of KMC steps, the number of independent trajectories, and the linearity of the mean-square displacement in time. Without this, the Arrhenius parameters and their error bars are not established.
  4. [§3.1.4 and §3.2.2.2] The text states that the KMC trajectory 'starts to become significant and Brownian towards 800 K,' yet the TDS low-temperature region used for comparison in Table 3 is 450-673 K. The manuscript should justify why the Arrhenius expression fitted over 300-3000 K can be extrapolated to temperatures where the simulated trajectories are not yet Brownian, or it should restrict the comparison to the range where the KMC diffusion coefficient is well defined.
minor comments (6)
  1. [Figure 4 caption] The caption says panel (c) represents the transition between S1 and S3, but the text in §3.1.3 and the figure description indicate it should be the S2-S3 transition.
  2. [Figure 3 caption] The caption refers to the '8c' site in panel (a); the correct Wyckoff label used in the text is 8b.
  3. [Eq. (11)] The system of equations for the TDS model is not typeset correctly in the submitted text; the full set of coupled equations and boundary conditions should be rendered legibly.
  4. [§3.1.4] In the sentence comparing diffusion values, '103 lower' should read '10^3 lower' or 'three orders of magnitude lower.'
  5. [§2.2.3 and §3.2.2.1] The heating rate is given as both '5 K/min' and '5 °C/min'; these are equal, but the notation should be made consistent throughout.
  6. [Table 2] The comparison with literature values would be clearer if the functional and convergence parameters for the cited calculations were indicated in the table footnote, since the text explains the differences by parameter choice.

Circularity Check

0 steps flagged · score 0.0 of 10

No significant circularity: the DFT/KMC barrier is computed from first principles and the TDS activation energies are independently fitted; their agreement is offered as a comparison, not used as an input.

full rationale

The paper's central theoretical result (Eq. 9, Ea = 0.70 eV, D0 = 1.25e-7 m2/s) is obtained from DFT insertion energies, NEB migration barriers, Vineyard attempt frequencies, and KMC mean-square displacements, none of which use TDS data. The TDS activation energies in Table 3 are fitted from plateau release experiments via the diffusion/detrapping model of Section 3.2.2.2, and the ramp-release curves are then reproduced as a check; the DFT value is not among the fitted parameters nor used to constrain the Arrhenius slopes. The similarity between 0.70 eV and 0.73-0.87 eV is therefore a genuine comparison between independent determinations. The quasi-instantaneous transport assumption in the TDS model is a physical simplification that may make the fitted quantities effective detrapping energies rather than true migration barriers, and the paper's confirmation statement may be overstrong; however, this is a modeling-validity concern, not a circularity, because the DFT result is not an input to the TDS fit. Self-citations to the group's earlier methodology (e.g., refs. [32], [72-75], [100-103]) document standard techniques and prior applications; they are not used to justify the numerical agreement. Consequently no step in the derivation reduces to its own inputs.

Assumptions & free parameters 4 free parameters · 6 assumptions · 0 invented entities

The central numerical claims rest on the DFT and TST assumptions for the theoretical part, and on the fitted parameters and simplifying assumptions of the TDS model for the experimental part. All entries above are the things a reader must accept on faith or prior validation before trusting the 0.7 eV diffusion result.

free parameters (4)
  • Fraction f of He in the first (interstitial) trap state = 0.85 for micro 1e14; 0.90 for nano 1e14 and 1e15
    Chosen on the basis of the release profile in Figure 8-c, not determined by the fitting loop. Used to split initial population into two states in Eq. 13.
  • Apparent interstitial diffusion parameters D0_1 and Ea_1 from TDS = D0_1 = 3.3e-11 to 5.1e-11 m2/s; Ea_1 = 0.73-0.87 eV (low-T region, Table 3)
    Fitted to plateau desorption data via the two-state Fick model (Eq. 11). These are the values compared with DFT Ea = 0.70 eV to claim confirmation.
  • Second-trap diffusion parameters D0_2 and Ea_2 = Micro 1e14: D0_2 = 7.9e6 m2/s, Ea_2 = 2.88 eV; Nano 1e14: D0_2 = 1.60e15 m2/s, Ea_2 = 4.03 eV
    Fitted to the high-temperature region, where only one or two measurement points exist (Section 3.2.2.2, Table 3).
  • Detrapping/rate constants k1 and k2 in the TDS model = Not tabulated in text
    Internal rate constants in Eq. 11 obtained from the kmpfit iteration loop; their values are not reported.
assumptions (6)
  • domain assumption DFT with the PBE functional gives sufficiently accurate energetics for He, vacancies, and migration barriers in Y2O3.
    The paper validates PBE against the lattice parameter and literature insertion/migration energies (Tables 1 and 2), but does not validate against any experimental diffusion data.
  • domain assumption Harmonic transition state theory with the Vineyard approximation correctly converts NEB barriers to jump rates.
    Section 3.1.4 uses Vineyard theory without anharmonic corrections; no validation of this approximation is given.
  • domain assumption KMC with 200,000 steps per temperature is sufficient to reach the diffusive regime.
    The paper states trajectories become Brownian near 800 K, but no convergence or error analysis is provided.
  • ad hoc to paper TDS model assumptions: no surface evaporation, 1D depth-only diffusion, quasi-instantaneous transport after detrapping, and no explicit grain-boundary contribution.
    Listed explicitly in Section 3.2.2.2; these simplify a complex trapping network and are not independently tested.
  • domain assumption SRIM full-damage cascades with 57 eV displacement energy give the correct initial He profile.
    Used as the initial condition in Eq. 13; SRIM is standard but approximate.
  • domain assumption The monopole-monopole charge correction is sufficient for charged-vacancy total energies.
    Charged vacancy results (Table 2) use this correction; the paper does not benchmark it against other correction schemes.

how reviews work

0 comments
Cite this review

Pith. "Pith review of Study of helium diffusion in yttria: A multiscale approach based on the density functional theory and kinetic Monte Carlo, with transmission electron microscopy and thermo-desorption spectroscopy." pith.science (2026). https://pith.science/paper/74KMCVP5

@misc{pith2026241116811,
  author       = {Pith},
  title        = {Pith review of: Study of helium diffusion in yttria: A multiscale approach based on the density functional theory and kinetic Monte Carlo, with transmission electron microscopy and thermo-desorption spectroscopy},
  year         = {2026},
  howpublished = {\url{https://pith.science/paper/74KMCVP5}},
  note         = {Machine review of arXiv:2411.16811}
}
abstract

A known issue for future nuclear reactors is helium accumulation inside the steel structure materials, responsible for structural issues such as embrittlement and cracking. One possible solution is using new types of reinforced steel, such as oxide dispersion strengthened (ODS) steel. It consists of adding oxide nanoparticles to the Fe-based material, especially yttrium oxide (yttria, Y$_2$O$_3$), improving its properties. Therefore, one first step is understanding the helium diffusion inside this system. Very little is known about helium inside yttria, with most studies being theoretical ones. Based on this context, this work proposes a combined theoretical and experimental multiscale approach to investigate helium diffusion inside yttria. The theoretical approach starts with the density functional theory, used to model the atomic yttria cell and determine helium insertion sites. The transitions between the sites were described using the NEB method. Kinetic Monte Carlo was then employed to obtain the interstitial diffusion coefficient expression. It showed a limited diffusion at temperatures below 600 K, which may indicate a tendency for He to be blocked in the oxide. Then, the charged vacancies were explored. It showed that the vacancy further reduces helium diffusion. Finally, it was demonstrated that helium spreads across different vacancies and interstitial sites. The experimental part involved implanting helium ions at 50 keV in samples with nanometric or micrometric grains. Then, the specimens were characterised with transmission electron microscopy (TEM) and thermo-desorption spectroscopy (TDS) techniques. TEM did not evidence detectable bubbles even at the highest studied fluence (1\time 10^{16}$ cm$^{-2}$). The TDS highlighted different mechanisms for helium diffusion and the grain size's role, providing a model for diffusion coefficient calculation based on interstitial diffusion.

Discussion (0). Continue with ORCID to comment.

Reference graph

Works this paper leans on

114 extracted references · 62 canonical work pages

  1. [1]

    The peak He concentration (roughly 280 nm) arrives with a He concentration of around 0.7 %. 2.2.2. Transmission electron microscopy (TEM) Once implanted, the samples were analysed using two different techniques. Conventional TEM is one of them at the JANNuS-Orsay MOSAIC platform [81,82]. We employed a 200 kV FEI Tecnai G 2 20 Twin microscope with LaB 6 fi...

  2. [2]

    Materials and methods 2.1. Theoretical part Periodic DFT [53] based on the VASP (Vienna ab-initio simulation program) code developed by the Fakultät für Physik of the Universität Wien [54,55] was employed for the structure optimisation of yttria. The system's total energy was calculated using a p lane-wave basis set and the project augmented plane wave (P...

    2008

  3. [3]

    Theoretical part 3.1.1

    Results and discussion 3.1. Theoretical part 3.1.1. Yttria unit cell and validation of calculation parameters Yttria is part of the space group I a (No. 206) with a bixbyite cubic b cc structure with eighty atoms: 32 Y occupying the 8b (¼, ¼, ¼) and 24d ( u, 0, ¼) Wyckoff positions; and 48 O at the 48e positions (x0, y0, z0) [16]. The crystal structure is...

  4. [4]

    These values have an associated error of ±5%. The differences between the targeted and real measured fluences are probably due to one or several factors: it could be due to a saturation of He in the material, possibly coming from blistering with the accumulation of implantation damages and saturation of the specimen [91,92]; the nanometric grains could be...

  5. [5]

    L ower interstitial He diffusion than in iron was calculated for a perfect cell

    Conclusions Combining DFT and kinetic Monte Carlo approaches allowed us to identif y the three possible helium insertion sites and diverse possible transitions . L ower interstitial He diffusion than in iron was calculated for a perfect cell . The vacancy's role was also investigated, and the charge's consideration changed the insertion energy. Moreover, ...

  6. [6]

    We a lso appreciate Christophe Diarra and Emmanouil Vamvakopoulos , who helped us manag e the calculations cluster: GRIF ( http://www.grif.fr)

    Acknowledgements One author (V.O.C.) is grateful for funding from the doctoral school PHENIICS (Université Paris- Saclay). We a lso appreciate Christophe Diarra and Emmanouil Vamvakopoulos , who helped us manag e the calculations cluster: GRIF ( http://www.grif.fr). We want to acknowledge Florian Pallier for the help in the preparation of the samples, as ...

  7. [7]

    W. Xiao, X. Zhang, W.T. Geng, G. Lu, Helium bubble nucleation and growth in $\upalpha$-Fe: insights from first–principles simulations, J. Phys.: Condens. Matter. 26 (2014) 255401. https://doi.org/10.1088/0953-8984/26/25/255401

    work page doi:10.1088/0953-8984/26/25/255401 2014

  8. [8]

    Bloom, The challenge of developing structural materials for fusion power systems, Journal of Nuclear Materials

    E.E. Bloom, The challenge of developing structural materials for fusion power systems, Journal of Nuclear Materials. 258–263 (1998) 7–17. https://doi.org/10.1016/S0022-3115(98)00352-3

    doi:10.1016/s0022-3115(98)00352-3 1998

Show all 114 references
  1. [9]

    Vladimirov, A

    P. Vladimirov, A. Möslang, Comparison of material irradiation conditions for fusion, spallation, stripping and fission neutron sources, Journal of Nuclear Materials. 329–333 (2004) 233–237. https://doi.org/10.1016/j.jnucmat.2004.04.030

    2004 doi

  2. [10]

    Emelyanova, A

    O. Emelyanova, A. Gentils, V.A. Borodin, M.G. Ganchenkova, P.V. Vladimirov, P.S. Dzhumaev, I.A. Golovchanskiy, R. Lindau, A. Möslang, Bubble-to-void transition promoted by oxide nanoparticles in ODS-EUROFER steel ion implanted to high He content, Journal of Nuclear Materials. ...

    2021

  3. [11]

    D. Sun, R. Li, J. Ding, S. Huang, P. Zhang, Z. Lu, J. Zhao, Helium behavior in oxide dispersion strengthened (ODS) steel: Insights from ab initio modeling, Journal of Nuclear Materials. 499 (2018) 71–78. https://doi.org/10.1016/j.jnucmat.2017.10.073

    2018 doi

  4. [12]

    Duffy, Fusion power: a challenge for materials science, Philosophical Transactions of the Royal Society A: Mathematical, Physical and Engineering Sciences

    D.M. Duffy, Fusion power: a challenge for materials science, Philosophical Transactions of the Royal Society A: Mathematical, Physical and Engineering Sciences. 368 (2010) 3315–3328. https://doi.org/10.1098/rsta.2010.0060

    2010

  5. [13]

    N. Gao, M. Victoria, J. Chen, H.V. Swygenhoven, Helium-vacancy cluster in a single bcc iron crystal lattice, J. Phys.: Condens. Matter. 23 (2011) 245403. https://doi.org/10.1088/0953- 8984/23/24/245403

    2011 doi

  6. [14]

    Rothaut, H

    J. Rothaut, H. Schroeder, H. Ullmaier, The growth of helium bubbles in stainless steel at high temperatures, Philosophical Magazine A. 47 (1983) 781–795. https://doi.org/10.1080/01418618308245265

    1983 doi

  7. [15]

    Zinkle, G.S

    S.J. Zinkle, G.S. Was, Materials challenges in nuclear energy, Acta Materialia. 61 (2013) 735–758. https://doi.org/10.1016/j.actamat.2012.11.004

    2013 doi

  8. [16]

    Maziasz, Overview of microstructural evolution in neutron-irradiated austenitic stainless steels, Journal of Nuclear Materials

    P.J. Maziasz, Overview of microstructural evolution in neutron-irradiated austenitic stainless steels, Journal of Nuclear Materials. 205 (1993) 118–145. https://doi.org/10.1016/0022- 3115(93)90077-C

    1993 doi

  9. [17]

    Integrity of Reactor Pressure Vessels in Nuclear Power Plants: Assessment of Irradiation Embrittlement Effects in Reactor Pressure Vessel Steels, INTERNATIONAL ATOMIC ENERGY AGENCY, Vienna, 2009. https://www.iaea.org/publications/7915/integrity-of-reactor-pressure- vessels-in-...

    2009

  10. [18]

    Ishizaki, Q

    T. Ishizaki, Q. Xu, T. Yoshiie, S. Nagata, T. Troev, The effect of hydrogen and helium on microvoid formation in iron and nickel, Journal of Nuclear Materials. 307–311 (2002) 961–965. https://doi.org/10.1016/S0022-3115(02)01279-5

    2002 doi

  11. [19]

    Katoh, M

    Y. Katoh, M. Ando, A. Kohyama, Radiation and helium effects on microstructures, nano- indentation properties and deformation behavior in ferrous alloys, Journal of Nuclear Materials. 323 (2003) 251–262. https://doi.org/10.1016/j.jnucmat.2003.08.007

    2003 doi

  12. [20]

    Stewart, Y

    D. Stewart, Y. Osetskiy, R. Stoller, Atomistic studies of formation and diffusion of helium clusters and bubbles in BCC iron, Journal of Nuclear Materials. 417 (2011) 1110–1114. https://doi.org/10.1016/j.jnucmat.2010.12.217

    2011 doi

  13. [21]

    A. Caro, J. Hetherly, A. Stukowski, M. Caro, E. Martinez, S. Srivilliputhur, L. Zepeda-Ruiz, M. Nastasi, Properties of Helium bubbles in Fe and FeCr alloys, Journal of Nuclear Materials. 418 (2011) 261–268. https://doi.org/10.1016/j.jnucmat.2011.07.010

    2011 doi

  14. [22]

    Danielson, E

    T. Danielson, E. Tea, C. Hin, First-principles investigation of helium in Y2O3, Journal of Physics D: Applied Physics. 49 (2015) 065301

    2015

  15. [23]

    Lindau, A

    R. Lindau, A. Möslang, M. Schirra, P. Schlossmacher, M. Klimenkov, Mechanical and microstructural properties of a hipped RAFM ODS-steel, Journal of Nuclear Materials. 307–311 (2002) 769–772. https://doi.org/10.1016/S0022-3115(02)01045-0

    2002 doi

  16. [24]

    Zinkle, J.L

    S.J. Zinkle, J.L. Boutard, D.T. Hoelzer, A. Kimura, R. Lindau, G.R. Odette, M. Rieth, L. Tan, H. Tanigawa, Development of next generation tempered and ODS reduced activation ferritic/martensitic steels for fusion energy applications, Nucl. Fusion. 57 (2017) 092005. https://doi...

    2017 doi

  17. [25]

    Klueh, J.P

    R.L. Klueh, J.P. Shingledecker, R.W. Swindeman, D.T. Hoelzer, Oxide dispersion-strengthened steels: A comparison of some commercial and experimental alloys, Journal of Nuclear Materials. 341 (2005) 103–114. https://doi.org/10.1016/j.jnucmat.2005.01.017

    2005 doi

  18. [26]

    S. Ukai, M. Fujiwara, Perspective of ODS alloys application in nuclear environments, Journal of Nuclear Materials. 307–311 (2002) 749–757. https://doi.org/10.1016/S0022-3115(02)01043-7

    2002 doi

  19. [27]

    Pareige, M.K

    P. Pareige, M.K. Miller, R.E. Stoller, D.T. Hoelzer, E. Cadel, B. Radiguet, Stability of nanometer- sized oxide clusters in mechanically-alloyed steel under ion-induced displacement cascade damage conditions, Journal of Nuclear Materials. 360 (2007) 136–142. https://doi.org/10...

    2007 doi

  20. [28]

    de Castro, T

    V. de Castro, T. Leguey, A. Muñoz, M.A. Monge, P. Fernández, A.M. Lancha, R. Pareja, Mechanical and microstructural behaviour of Y2O3 ODS EUROFER 97, Journal of Nuclear Materials. 367–370 (2007) 196–201. https://doi.org/10.1016/j.jnucmat.2007.03.146

    2007 doi

  21. [29]

    Klueh, P.J

    R.L. Klueh, P.J. Maziasz, I.S. Kim, L. Heatherly, D.T. Hoelzer, N. Hashimoto, E.A. Kenik, K. Miyahara, Tensile and creep properties of an oxide dispersion-strengthened ferritic steel, Journal of Nuclear Materials. 307–311 (2002) 773–777. https://doi.org/10.1016/S0022-3115(02)01046-2

    2002 doi

  22. [30]

    W. Lai, Y. Ou, X. Lou, F. Wang, Ab initio study of He trapping, diffusion and clustering in Y2O3, Nuclear Instruments and Methods in Physics Research Section B: Beam Interactions with Materials and Atoms. 393 (2017) 82–87. https://doi.org/10.1016/j.nimb.2016.11.026

    2017 doi

  23. [31]

    Kishimoto, K

    H. Kishimoto, K. Yutani, R. Kasada, O. Hashitomi, A. Kimura, Heavy-ion irradiation effects on the morphology of complex oxide particles in oxide dispersion strengthened ferritic steels, Journal of Nuclear Materials. 367–370 (2007) 179–184. https://doi.org/10.1016/j.jnucmat.2007.03.149

    2007 doi

  24. [32]

    Kim, J.D

    I.-S. Kim, J.D. Hunn, N. Hashimoto, D.L. Larson, P.J. Maziasz, K. Miyahara, E.H. Lee, Defect and void evolution in oxide dispersion strengthened ferritic steels under 3.2 MeV Fe+ ion irradiation with simultaneous helium injection, Journal of Nuclear Materials. 280 (2000) 264–2...

    2000 doi

  25. [34]

    Di Martino, N.B

    S.F. Di Martino, N.B. Riddle, R.G. Faulkner, Controlling the ductile to brittle transition in Fe– 9%Cr ODS steels, Journal of Nuclear Materials. 442 (2013) S124–S132. https://doi.org/10.1016/j.jnucmat.2013.03.097

    2013 doi

  26. [35]

    Odette, M.J

    G.R. Odette, M.J. Alinger, B.D. Wirth, Recent Developments in Irradiation-Resistant Steels, Annu. Rev. Mater. Res. 38 (2008) 471–503. https://doi.org/10.1146/annurev.matsci.38.060407.130315

    2008

  27. [36]

    Wharry, M.J

    J.P. Wharry, M.J. Swenson, K.H. Yano, A review of the irradiation evolution of dispersed oxide nanoparticles in the b.c.c. Fe-Cr system: Current understanding and future directions, Journal of Nuclear Materials. 486 (2017) 11–20. https://doi.org/10.1016/j.jnucmat.2017.01.009

    2017 doi

  28. [37]

    Yutani, H

    K. Yutani, H. Kishimoto, R. Kasada, A. Kimura, Evaluation of Helium effects on swelling behavior of oxide dispersion strengthened ferritic steels under ion irradiation, Journal of Nuclear Materials. 367–370 (2007) 423–427. https://doi.org/10.1016/j.jnucmat.2007.03.016

    2007 doi

  29. [38]

    Oliveira Cavalcanti, J

    V. Oliveira Cavalcanti, J. Roques, A. Gentils, D. Horlait, E. Gilabert, L. Tassan-Got, Understanding helium diffusion in iron: a multiscale modelling method based on the DFT and kinetic Monte Carlo, coupled to TEM and thermo-desorption spectroscopy experiments, Journal of Nucl...

    2023

  30. [39]

    Odette, D.T

    G.R. Odette, D.T. Hoelzer, Irradiation-tolerant nanostructured ferritic alloys: Transforming helium from a liability to an asset, JOM. 62 (2010) 84–92. https://doi.org/10.1007/s11837-010-0144-1

    2010 doi

  31. [40]

    Garner, M.B

    F.A. Garner, M.B. Toloczko, B.H. Sencer, Comparison of swelling and irradiation creep behavior of fcc-austenitic and bcc-ferritic/martensitic alloys at high neutron exposure, Journal of Nuclear Materials. 276 (2000) 123–142. https://doi.org/10.1016/S0022-3115(99)00225-1

    2000 doi

  32. [41]

    Edmondson, C.M

    P.D. Edmondson, C.M. Parish, Y. Zhang, A. Hallén, M.K. Miller, Helium entrapment in a nanostructured ferritic alloy, Scripta Materialia. 65 (2011) 731–734. https://doi.org/10.1016/j.scriptamat.2011.07.024

    2011 doi

  33. [42]

    https://www.sciencedirect.com/science/article/abs/pii/S0022311516300836 (accessed August 10, 2022)

    Microstructure of HIPed and SPSed 9Cr-ODS steel and its effect on helium bubble formation - ScienceDirect, (n.d.). https://www.sciencedirect.com/science/article/abs/pii/S0022311516300836 (accessed August 10, 2022)

    2022

  34. [43]

    C. Lu, Z. Lu, R. Xie, C. Liu, L. Wang, Microstructure of a 14Cr-ODS ferritic steel before and after helium ion implantation, Journal of Nuclear Materials. 455 (2014) 366–370. https://doi.org/10.1016/j.jnucmat.2014.06.065

    2014 doi

  35. [44]

    Odette, P

    G.R. Odette, P. Miao, D.J. Edwards, T. Yamamoto, R.J. Kurtz, H. Tanigawa, Helium transport, fate and management in nanostructured ferritic alloys: In situ helium implanter studies, Journal of Nuclear Materials. 417 (2011) 1001–1004. https://doi.org/10.1016/j.jnucmat.2011.01.064

    2011 doi

  36. [45]

    Edmondson, C.M

    P.D. Edmondson, C.M. Parish, Y. Zhang, A. Hallén, M.K. Miller, Helium bubble distributions in a nanostructured ferritic alloy, Journal of Nuclear Materials. 434 (2013) 210–216. https://doi.org/10.1016/j.jnucmat.2012.11.049

    2013 doi

  37. [46]

    Ribis, Structural and chemical matrix evolution following neutron irradiation in a MA957 oxide dispersion strengthened material, Journal of Nuclear Materials

    J. Ribis, Structural and chemical matrix evolution following neutron irradiation in a MA957 oxide dispersion strengthened material, Journal of Nuclear Materials. 434 (2013) 178–188. https://doi.org/10.1016/j.jnucmat.2012.11.038

    2013 doi

  38. [47]

    https://iopscience.iop.org/article/10.1088/1742-6596/674/1/012011 (accessed August 10, 2022)

    Study of radiation damage in ODS steels by positron annihilation spectroscopy - IOPscience, (n.d.). https://iopscience.iop.org/article/10.1088/1742-6596/674/1/012011 (accessed August 10, 2022)

    2022 doi

  39. [48]

    Ribis, S

    J. Ribis, S. Lozano-Perez, Nano-cluster stability following neutron irradiation in MA957 oxide dispersion strengthened material, Journal of Nuclear Materials. 444 (2014) 314–322. https://doi.org/10.1016/j.jnucmat.2013.10.010

    2014 doi

  40. [49]

    Bartošová, M

    I. Bartošová, M. Dománková, F.A. Selim, V. Slugeň, Investigation of microstructural changes of ODS steel EP450 after Helium implantation, J. Phys.: Conf. Ser. 618 (2015) 012014. https://doi.org/10.1088/1742-6596/618/1/012014

    2015 doi

  41. [50]

    Terki, G

    R. Terki, G. Bertrand, H. Aourag, C. Coddet, Ab initio calculations of structural and electronic properties of Y2Ti2O7 and Cd2Nb2O7, Physica B: Condensed Matter. 392 (2007) 341–347. https://doi.org/10.1016/j.physb.2006.11.047

    2007 doi

  42. [51]

    Jiang, J.R

    Y. Jiang, J.R. Smith, G.R. Odette, Formation of Y-Ti-O nanoclusters in nanostructured ferritic alloys: A first-principles study, Phys. Rev. B. 79 (2009) 064103. https://doi.org/10.1103/PhysRevB.79.064103

    2009 doi

  43. [52]

    Y.D. Ou, W.S. Lai, Vacancy formation and clustering behavior in Y2O3 by first principles, Nuclear Instruments and Methods in Physics Research Section B: Beam Interactions with Materials and Atoms. 269 (2011) 1720–1723. https://doi.org/10.1016/j.nimb.2010.11.077

    2011 doi

  44. [53]

    Zheng, G

    J.X. Zheng, G. Ceder, T. Maxisch, W.K. Chim, W.K. Choi, Native point defects in yttria and relevance to its use as a high-dielectric-constant gate oxide material: First-principles study, Phys. Rev. B. 73 (2006) 104101. https://doi.org/10.1103/PhysRevB.73.104101

    2006 doi

  45. [54]

    Dholakia, S

    M. Dholakia, S. Chandra, M.C. Valsakumar, S. Mathi Jaya, Atomistic simulations of displacement cascades in Y2O3 single crystal, Journal of Nuclear Materials. 454 (2014) 96–104. https://doi.org/10.1016/j.jnucmat.2014.07.044

    2014 doi

  46. [55]

    Peng, W.-S

    M.-M. Peng, W.-S. Lai, Interaction between vacancies and the α-Fe/Y2O3 interface: A first- principles study, Nuclear Instruments and Methods in Physics Research Section B: Beam Interactions with Materials and Atoms. 352 (2015) 67–71. https://doi.org/10.1016/j.nimb.2014.12.056

    2015 doi

  47. [56]

    L. Yang, Y. Jiang, Y. Wu, G.R. Odette, Z. Zhou, Z. Lu, The ferrite/oxide interface and helium management in nano-structured ferritic alloys from the first principles, Acta Materialia. 103 (2016) 474–482. https://doi.org/10.1016/j.actamat.2015.10.031

    2016 doi

  48. [57]

    Takahashi, H

    K. Takahashi, H. Oka, S. Ohnuki, Selective Growth of Noble Gases at Metal/Oxide Interface, ACS Appl. Mater. Interfaces. 8 (2016) 3725–3729. https://doi.org/10.1021/acsami.5b11792

    2016 doi

  49. [58]

    Choudhury, D

    S. Choudhury, D. Morgan, B.P. Uberuaga, Massive Interfacial Reconstruction at Misfit Dislocations in Metal/Oxide Interfaces, Sci Rep. 4 (2014) 6533. https://doi.org/10.1038/srep06533

    2014 doi

  50. [59]

    Hohenberg, W

    P. Hohenberg, W. Kohn, Inhomogeneous Electron Gas, Phys. Rev. 136 (1964) B864–B871. https://doi.org/10.1103/PhysRev.136.B864

    1964 doi

  51. [60]

    Kresse, J

    G. Kresse, J. Furthmüller, Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set, Phys. Rev. B. 54 (1996) 11169–11186. https://doi.org/10.1103/PhysRevB.54.11169

    1996 doi

  52. [61]

    Kresse, J

    G. Kresse, J. Hafner, Ab initio molecular dynamics for liquid metals, Phys. Rev. B. 47 (1993) 558–561. https://doi.org/10.1103/PhysRevB.47.558

    1993 doi

  53. [62]

    Kresse, D

    G. Kresse, D. Joubert, From ultrasoft pseudopotentials to the projector augmented-wave method, Phys. Rev. B. 59 (1999) 1758–1775. https://doi.org/10.1103/PhysRevB.59.1758

    1999 doi

  54. [63]

    Blöchl, Projector augmented-wave method, Phys

    P.E. Blöchl, Projector augmented-wave method, Phys. Rev. B. 50 (1994) 17953–17979. https://doi.org/10.1103/PhysRevB.50.17953

    1994 doi

  55. [64]

    Kohn, L.J

    W. Kohn, L.J. Sham, Self-Consistent Equations Including Exchange and Correlation Effects, Phys. Rev. 140 (1965) A1133–A1138. https://doi.org/10.1103/PhysRev.140.A1133

    1965 doi

  56. [65]

    Perdew, K

    J.P. Perdew, K. Burke, M. Ernzerhof, Generalized Gradient Approximation Made Simple, Phys. Rev. Lett. 77 (1996) 3865–3868. https://doi.org/10.1103/PhysRevLett.77.3865

    1996 doi

  57. [66]

    Perdew, J.A

    J.P. Perdew, J.A. Chevary, S.H. Vosko, K.A. Jackson, M.R. Pederson, D.J. Singh, C. Fiolhais, Atoms, molecules, solids, and surfaces: Applications of the generalized gradient approximation for exchange and correlation, Phys. Rev. B. 46 (1992) 6671–6687. https://doi.org/10.1103/...

    1992 doi

  58. [67]

    Lazdins, A

    K. Lazdins, A. Kuzmin, Local structure and lattice dynamics of cubic Y$\less$sub$\greater$2$\less$/sub$\greater$O$\less$sub$\greater$3$\less$/sub$\greater$: an x-ray absorption spectroscopy study, IOP Conf. Ser.: Mater. Sci. Eng. 77 (2015) 012031. https://doi.org/10.1088/1757-...

    2015 doi

  59. [68]

    Monkhorst, J.D

    H.J. Monkhorst, J.D. Pack, Special points for Brillouin-zone integrations, Phys. Rev. B. 13 (1976) 5188–5192. https://doi.org/10.1103/PhysRevB.13.5188

    1976 doi

  60. [69]

    Jonsson, G

    H. Jonsson, G. Mills, K.W. Jacobsen, Nudged elastic band method for finding minimum energy paths of transitions, in: Classical and Quantum Dynamics in Condensed Phase Simulations, WORLD SCIENTIFIC, 1998: pp. 385–404. https://doi.org/10.1142/9789812839664_0016

    1998 doi

  61. [70]

    Pratt, A statistical method for identifying transition states in high dimensional problems, J

    L.R. Pratt, A statistical method for identifying transition states in high dimensional problems, J. Chem. Phys. 85 (1986) 5045–5048. https://doi.org/10.1063/1.451695

    1986 doi

  62. [71]

    Elber, M

    R. Elber, M. Karplus, A method for determining reaction paths in large molecules: Application to myoglobin, Chemical Physics Letters. 139 (1987) 375–380. https://doi.org/10.1016/0009- 2614(87)80576-6

    1987 doi

  63. [72]

    Henkelman, B.P

    G. Henkelman, B.P. Uberuaga, H. Jónsson, A climbing image nudged elastic band method for finding saddle points and minimum energy paths, J. Chem. Phys. 113 (2000) 9901–9904. https://doi.org/10.1063/1.1329672

    2000 doi

  64. [73]

    Voter, Classically exact overlayer dynamics: Diffusion of rhodium clusters on Rh(100), Phys

    A.F. Voter, Classically exact overlayer dynamics: Diffusion of rhodium clusters on Rh(100), Phys. Rev. B. 34 (1986) 6819–6829. https://doi.org/10.1103/PhysRevB.34.6819

    1986 doi

  65. [74]

    Vineyard, Frequency factors and isotope effects in solid state rate processes, Journal of Physics and Chemistry of Solids

    G.H. Vineyard, Frequency factors and isotope effects in solid state rate processes, Journal of Physics and Chemistry of Solids. 3 (1957) 121–127. https://doi.org/10.1016/0022-3697(57)90059-8

    1957 doi

  66. [75]

    C. Wert, C. Zener, Interstitial Atomic Diffusion Coefficients, Phys. Rev. 76 (1949) 1169–1175. https://doi.org/10.1103/PhysRev.76.1169

    1949 doi

  67. [76]

    Eyring, The Activated Complex in Chemical Reactions, J

    H. Eyring, The Activated Complex in Chemical Reactions, J. Chem. Phys. 3 (1935) 107–115. https://doi.org/10.1063/1.1749604

    1935 doi

  68. [77]

    Wigner, Calculation of the Rate of Elementary Association Reactions, J

    E. Wigner, Calculation of the Rate of Elementary Association Reactions, J. Chem. Phys. 5 (1937) 720–725. https://doi.org/10.1063/1.1750107

    1937 doi

  69. [78]

    Bassal, J

    F. Bassal, J. Roques, M. Corre, F. Brunet, R. Ketcham, S. Schwartz, L. Tassan-Got, C. Gautheron, Role of Defects and Radiation Damage on He Diffusion in Magnetite: Implication for (U-Th)/He Thermochronology, Minerals. 12 (2022) 590. https://doi.org/10.3390/min12050590

    2022 doi

  70. [79]

    Bassal, J

    F. Bassal, J. Roques, C. Gautheron, Neon diffusion in goethite, α-FeO(OH): a theoretical multi- scale study, Phys Chem Minerals. 47 (2020) 14. https://doi.org/10.1007/s00269-020-01083-w

    2020 doi

  71. [80]

    Balout, J

    H. Balout, J. Roques, C. Gautheron, L. Tassan-Got, D. Mbongo-Djimbi, Helium diffusion in pure hematite (α-Fe2O3) for thermochronometric applications: A theoretical multi-scale study, Computational and Theoretical Chemistry. 1099 (2017) 21–28. https://doi.org/10.1016/j.comptc.2...

    2017 doi

  72. [81]

    Balout, J

    H. Balout, J. Roques, C. Gautheron, L. Tassan-Got, Computational investigation of interstitial neon diffusion in pure hematite, Computational Materials Science. 128 (2017) 67–74. https://doi.org/10.1016/j.commatsci.2016.10.005

    2017 doi

  73. [82]

    Bortz, M.H

    A.B. Bortz, M.H. Kalos, J.L. Lebowitz, A new algorithm for Monte Carlo simulation of Ising spin systems, Journal of Computational Physics. 17 (1975) 10–18. https://doi.org/10.1016/0021- 9991(75)90060-1

    1975 doi

  74. [83]

    Gillespie, A general method for numerically simulating the stochastic time evolution of coupled chemical reactions, Journal of Computational Physics

    D.T. Gillespie, A general method for numerically simulating the stochastic time evolution of coupled chemical reactions, Journal of Computational Physics. 22 (1976) 403–434. https://doi.org/10.1016/0021-9991(76)90041-3

    1976 doi

  75. [84]

    Arrhenius, Über die Reaktionsgeschwindigkeit bei der Inversion von Rohrzucker durch Säuren, (1889)

    S. Arrhenius, Über die Reaktionsgeschwindigkeit bei der Inversion von Rohrzucker durch Säuren, (1889). https://doi.org/10.1515/zpch-1889-0116

    doi

  76. [85]

    Gerstmann, P

    U. Gerstmann, P. Deák, R. Rurali, B. Aradi, Th. Frauenheim, H. Overhof, Charge corrections for supercell calculations of defects in semiconductors, Physica B: Condensed Matter. 340–342 (2003) 190–194. https://doi.org/10.1016/j.physb.2003.09.111

    2003 doi

  77. [86]

    Clavier, Y

    N. Clavier, Y. Cherkaski, J. Martinez, S. Costis, T. Cordara, F. Audubert, L. Brissonneau, N. Dacheux, Synthesis and Direct Sintering of Nanosized (MIV,MIII)O2-x Hydrated Oxides as Electrolyte Ceramics, ChemPhysChem. 18 (2017) 2666–2674. https://doi.org/10.1002/cphc.201700647

    2017 doi

  78. [87]

    Gentils, C

    A. Gentils, C. Cabet, Investigating radiation damage in nuclear energy materials using JANNuS multiple ion beams, Nuclear Instruments and Methods in Physics Research Section B: Beam Interactions with Materials and Atoms. 447 (2019) 107–112. https://doi.org/10.1016/j.nimb.2019.03.039

    2019 doi

  79. [88]

    https://www.ijclab.in2p3.fr/en/platforms/jannus-scalp- en/ (accessed April 12, 2020)

    IJCLab, JANNuS-SCALP – IJCLab, (n.d.). https://www.ijclab.in2p3.fr/en/platforms/jannus-scalp- en/ (accessed April 12, 2020)

    2020

  80. [89]

    Ziegler, M.D

    J.F. Ziegler, M.D. Ziegler, J.P. Biersack, SRIM – The stopping and range of ions in matter (2010), Nuclear Instruments and Methods in Physics Research Section B: Beam Interactions with Materials and Atoms. 268 (2010) 1818–1823. https://doi.org/10.1016/j.nimb.2010.02.091

    2010 doi

  81. [90]

    Monnet, T

    I. Monnet, T. Van den Berghe, Ph. Dubuisson, A comparison between different oxide dispersion strengthened ferritic steel ongoing in situ oxide dissolution in High Voltage Electron Microscope, Journal of Nuclear Materials. 424 (2012) 204–209. https://doi.org/10.1016/j.jnucmat.2...

    2012 doi

  82. [91]

    Jublot-Leclerc, M.-L

    S. Jublot-Leclerc, M.-L. Lescoat, F. Fortuna, L. Legras, X. Li, A. Gentils, TEM study of the nucleation of bubbles induced by He implantation in 316L industrial austenitic stainless steel, Journal of Nuclear Materials. 466 (2015) 646–652. https://doi.org/10.1016/j.jnucmat.2015.09.013

    2015 doi

  83. [92]

    Linez, E

    F. Linez, E. Gilabert, A. Debelle, P. Desgardin, M.-F. Barthe, Helium interaction with vacancy- type defects created in silicon carbide single crystal, Journal of Nuclear Materials. 436 (2013) 150–

    2013

  84. [93]

    Chaumont, F

    J. Chaumont, F. Lalu, M. Salome, A.-M. Lamoise, H. Bernas, A medium energy facility for variable temperature implantation and analysis, Nuclear Instruments and Methods in Physics Research. 189 (1981) 193–198. https://doi.org/10.1016/0029-554X(81)90145-2

    1981 doi

  85. [95]

    Horlait, R

    D. Horlait, R. Faure, B.A. Thomas, N. Devert, M.-L. Amany, G. Carlot, É. Gilabert, A new thermo-desorption laser-heating setup for studying noble gas diffusion and release from materials at high temperatures, Review of Scientific Instruments. 92 (2021) 124102. https://doi.org/...

    2021 doi

  86. [96]

    McMahon, D.R

    W.R. McMahon, D.R. Wilder, High Temperature Spectral Emissivity of Yttrium, Samarium, Gadolinium, Erbium and Lutetium Oxides., Ames Lab., IA., 1963. https://ntrl.ntis.gov/NTRL/dashboard/searchResults/titleDetail/ADA394473.xhtml (accessed June 29, 2022)

    1963

  87. [97]

    Kurtz, G.R

    R.J. Kurtz, G.R. Odette, Chapter 3 - Overview of Reactor Systems and Operational Environments for Structural Materials in Fusion Reactors, in: G.R. Odette, S.J. Zinkle (Eds.), Structural Alloys for Nuclear Energy Applications, Elsevier, Boston, 2019: pp. 51–102. https://doi.or...

    2019 doi

  88. [98]

    Lefaix-Jeuland, S

    H. Lefaix-Jeuland, S. Miro, F. Legendre, Helium Behaviour in Fe-Base Materials: Thermal Desorption and Nuclear Reaction Analyses, Defect and Diffusion Forum. 323–325 (2012) 221–226. https://doi.org/10.4028/www.scientific.net/DDF.323-325.221

    2012 doi

  89. [99]

    Gong, X.Z

    Y.H. Gong, X.Z. Cao, S.X. Jin, E.Y. Lu, Y.C. Hu, T. Zhu, P. Kuang, Q. Xu, B.Y. Wang, Effect of dislocations on helium retention in deformed pure iron, Journal of Nuclear Materials. 482 (2016) 93–

    2016

  90. [100]

    https://doi.org/10.1016/j.jnucmat.2016.10.014

    2016 doi

  91. [101]

    Talip, T

    Z. Talip, T. Wiss, V. Di Marcello, A. Janssen, J.-Y. Colle, P. Van Uffelen, P. Raison, R.J.M. Konings, Thermal diffusion of helium in 238Pu-doped UO2, Journal of Nuclear Materials. 445 (2014) 117–127. https://doi.org/10.1016/j.jnucmat.2013.10.066

    2014 doi

  92. [102]

    Di Chen, J. Wang, T. Chen, L. Shao, Defect annihilation at grain boundaries in alpha-Fe, Sci Rep. 3 (2013) 1450. https://doi.org/10.1038/srep01450

    2013 doi

  93. [103]

    C.Y. Hung, G. Vetterick, E. Hopkins, J.K. Balwin, P. Baldo, M.A. Kirk, A. Misra, M.L. Taheri, Insight into defect cluster annihilation at grain boundaries in an irradiated nanocrystalline iron, Journal of Nuclear Materials. 566 (2022) 153761. https://doi.org/10.1016/j.jnucmat....

    2022

  94. [104]

    M. Jin, P. Cao, S. Yip, M.P. Short, Radiation damage reduction by grain-boundary biased defect migration in nanocrystalline Cu, Acta Materialia. 155 (2018) 410–417. https://doi.org/10.1016/j.actamat.2018.05.071

    2018 doi

  95. [105]

    Gaboriaud, Dislocation core and pipe diffusion in Y$\less$sub$\greater$2$\less$/sub$\greater$O$\less$sub$\greater$3$\less$/sub$\greater$, J

    R.J. Gaboriaud, Dislocation core and pipe diffusion in Y$\less$sub$\greater$2$\less$/sub$\greater$O$\less$sub$\greater$3$\less$/sub$\greater$, J. Phys. D: Appl. Phys. 42 (2009) 135410. https://doi.org/10.1088/0022-3727/42/13/135410

    2009 doi

  96. [106]

    G.W.C. Kaye, D. Ewen, The Sublimation of Metals at Low Pressures, Proceedings of the Royal Society of London. Series A, Containing Papers of a Mathematical and Physical Character. 89 (1913) 58–67. http://www.jstor.org.ezproxy.universite-paris-saclay.fr/stable/93458 (accessed M...

    1913

  97. [107]

    Schafföner, Reactions of alkaline earth zirconate refractories with titanium alloys, MATEC Web Conf

    S. Schafföner, Reactions of alkaline earth zirconate refractories with titanium alloys, MATEC Web Conf. 321 (2020) 10012. https://doi.org/10.1051/matecconf/202032110012

    2020

  98. [108]

    Horlait, D

    D. Horlait, D. Gosset, A. Jankowiak, V. Motte, N. Lochet, T. Sauvage, E. Gilabert, Experimental determination of intragranular helium diffusion rates in boron carbide (B4C), Journal of Nuclear Materials. 527 (2019) 151834. https://doi.org/10.1016/j.jnucmat.2019.151834

    2019

  99. [110]

    Van Uffelen, G

    P. Van Uffelen, G. Pastore, V. Di Marcello, L. Luzzi, MULTISCALE MODELLING FOR THE FISSION GAS BEHAVIOUR IN THE TRANSURANUS CODE, Nuclear Engineering and Technology. 43 (2011) 477–488. https://doi.org/10.5516/NET.2011.43.6.477

    2011 doi

  100. [111]

    Speight, A Calculation on the Migration of Fission Gas in Material Exhibiting Precipitation and Re-solution of Gas Atoms Under Irradiation, Nuclear Science and Engineering

    M.V. Speight, A Calculation on the Migration of Fission Gas in Material Exhibiting Precipitation and Re-solution of Gas Atoms Under Irradiation, Nuclear Science and Engineering. 37 (1969) 180–

    1969

  101. [113]

    https://www.pdesolutions.com/ (accessed March 9, 2022)

    FlexPDE finite element model builder for Partial Differential Equations, (n.d.). https://www.pdesolutions.com/ (accessed March 9, 2022)

    2022

  102. [114]

    Terlouw, M.G.R

    J.P. Terlouw, M.G.R. Vogelaar, Kapteyn Package, version 2.3, Kapteyn Astronomical Institute, Groningen, 2015

    2015

  103. [115]

    Hanic, M

    F. Hanic, M. Hartmanová, G.G. Knab, A.A. Urusovskaya, K.S. Bagdasarov, Real structure of undoped Y2O3 single crystals, Acta Crystallographica Section B. 40 (1984) 76–82. https://doi.org/10.1107/S0108768184001774. Tables Table 1: Comparison between our and literature results fo...

    1984 doi

  104. [116]

    Comparison between our pre -exponential factor and activation energies obtained with TDS and DFT for yttria

    Y2 O 0.234 2.627 - - Table 3. Comparison between our pre -exponential factor and activation energies obtained with TDS and DFT for yttria. The experimental values are obtained by exponential fits weighted by the standard deviation errors of the calculated diffusion coefficient...

  105. [157]

    https://doi.org/10.1016/j.jnucmat.2013.01.288

    2013 doi

  106. [185]

    https://doi.org/10.13182/NSE69-A20676

    doi

Pith tools

Reviewed August 12, 2026 · model on record in the stance chip above.