A multi-scale model for stresses, strains and swelling of reactor components under irradiation
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A. E. Sand | Sergei L. Dudarev | Pui-Wai Ma | D R Mason | Edmund Tarleton | S. Dudarev | A. Sand | D. Mason | E. Tarleton | P. Ma
[1] P. Dederichs. The theory of diffuse X-ray scattering and its application to the study of point defects and their clusters , 1973 .
[2] Kresse,et al. Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set. , 1996, Physical review. B, Condensed matter.
[3] R. J. White,et al. The preferential trapping of interstitials at dislocations , 1975 .
[4] S. Dudarev,et al. Heterogeneous void swelling near grain boundaries in irradiated materials , 2003 .
[5] Ian K. Robinson,et al. 3D lattice distortions and defect structures in ion-implanted nano-crystals , 2017, Scientific Reports.
[6] E. Clouet,et al. Elastic modeling of point-defects and their interaction , 2018, 1802.04062.
[7] P. Olsson,et al. Multiscale calculations of dislocation bias in fcc Ni and bcc Fe model lattices , 2015 .
[8] C. Becquart,et al. Dislocation interaction with C in α-Fe: A comparison between atomic simulations and elasticity theory , 2008, 0809.1520.
[9] K. Nordlund,et al. Surface effects and statistical laws of defects in primary radiation damage: Tungsten vs. iron , 2016 .
[10] B. L. Eyre,et al. Cascade damage effects on the swelling of irradiated materials , 1975, Proceedings of the Royal Society of London. A. Mathematical and Physical Sciences.
[11] Steven J. Zinkle,et al. Materials Challenges in Nuclear Energy , 2013 .
[12] V. Gopalan,et al. Density Functional Theory Models for Radiation Damage ∗ , 2013 .
[13] S. Dudarev. Density Functional Theory Models for Radiation Damage , 2013 .
[14] S. Dudarev,et al. Direct observation of the spatial distribution of primary cascade damage in tungsten , 2018 .
[15] I. Robinson,et al. Atomistic simulation of diffuse x-ray scattering from defects in solids , 2000 .
[16] Reinhard Pippan,et al. Development of advanced high heat flux and plasma-facing materials , 2017 .
[17] S. Zinkle,et al. Operating temperature windows for fusion reactor structural materials , 2000 .
[18] Michael J. Fluss,et al. Modeling microstructure evolution of f.c.c. metals under irradiation in the presence of He , 2003 .
[19] C. Woo. The sink strength of a dislocation loop in the effective medium approximation , 1981 .
[20] K. Nordlund,et al. Modelling radiation effects using the ab-initio based tungsten and vanadium potentials , 2009 .
[21] R. Harder,et al. 3 D lattice distortions and defect structures in ion-implanted nanocrystals , 2017 .
[22] J. Roth,et al. Plasma facing and high heat flux materials-needs for ITER and beyond , 2002 .
[23] G. Kresse,et al. Ab initio molecular dynamics for liquid metals. , 1993 .
[24] R. Armiento,et al. Implementing and testing the AM05 spin density functional , 2009 .
[25] Peter M. Derlet,et al. Multiscale modeling of crowdion and vacancy defects in body-centered-cubic transition metals , 2007 .
[26] S. Dudarev,et al. Fast, vacancy-free climb of prismatic dislocation loops in bcc metals , 2016, Scientific Reports.
[27] J. Neugebauer,et al. First-principles calculation of the elastic dipole tensor of a point defect: Application to hydrogen in α -zirconium , 2016 .
[28] Tomoaki Suzudo,et al. Improving atomic displacement and replacement calculations with physically realistic damage models , 2018, Nature Communications.
[29] Lattice swelling and modulus change in a helium-implanted tungsten alloy: X-ray micro-diffraction, surface acoustic wave measurements, and multiscale modelling , 2014, 1407.6051.
[30] R. Armiento,et al. Functional designed to include surface effects in self-consistent density functional theory , 2005 .
[31] S. Dudarev,et al. Neutron-induced dpa, transmutations, gas production, and helium embrittlement of fusion materials , 2013, 1311.5079.
[32] N. V. Doan,et al. Elimination of irradiation point defects in crystalline solids: Sink strengths , 2003 .
[33] T. Mura. Micromechanics of Defects , 1992 .
[34] F. Bruneval,et al. Point defect modeling in materials: coupling ab initio and elasticity approaches , 2013, 1310.5799.
[35] K. Nordlund,et al. Radiation damage production in massive cascades initiated by fusion neutrons in tungsten , 2014 .
[36] S. Dudarev,et al. An integrated model for materials in a fusion power plant: transmutation, gas production, and helium embrittlement under neutron irradiation , 2012 .
[37] A. Brailsford,et al. The theory of sink strengths , 1981, Philosophical Transactions of the Royal Society of London. Series A, Mathematical and Physical Sciences.
[38] M. J. Fluss,et al. Kinetic Monte Carlo simulations applied to irradiated materials: The effect of cascade damage in defect nucleation and growth , 2006 .
[39] W. Wolfer. The Dislocation Bias , 2007 .
[40] S. Dudarev,et al. Elastic interactions between nano-scale defects in irradiated materials , 2017 .
[41] K. Burke,et al. Generalized Gradient Approximation Made Simple [Phys. Rev. Lett. 77, 3865 (1996)] , 1997 .
[42] A. Kosevich. The crystal lattice , 1999 .
[43] K. Nordlund,et al. On the lower energy limit of electronic stopping in simulated collision cascades in Ni, Pd and Pt , 2015 .
[44] G. Kresse,et al. Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set , 1996 .
[45] Burke,et al. Generalized Gradient Approximation Made Simple. , 1996, Physical review letters.
[46] Lisa Ventelon,et al. Interatomic potentials for modelling radiation defects and dislocations in tungsten , 2013, Journal of physics. Condensed matter : an Institute of Physics journal.
[47] Andrew P. Horsfield,et al. Self-interstitial atom defects in bcc transition metals: Group-specific trends , 2006 .
[48] A. E. Sand,et al. High-energy collision cascades in tungsten: Dislocation loops structure and clustering scaling laws , 2013, 1306.3824.
[49] C. Domain,et al. Recent advances in modeling and simulation of the exposure and response of tungsten to fusion energy conditions , 2017 .
[50] M. Ashkin,et al. Stress−induced diffusion of point defects to spherical sinks , 1975 .
[51] Alain Barbu,et al. Multiscale modelling of defect kinetics in irradiated iron , 2004 .
[52] H. Berendsen,et al. Molecular dynamics with coupling to an external bath , 1984 .
[53] Chu-Chun Fu,et al. Stability and mobility of mono- and di-interstitials in alpha-Fe. , 2004, Physical review letters.
[54] R. Bullough,et al. The rate theory of swelling due to void growth in irradiated metals , 1972 .
[55] K. Nordlund,et al. Cascade fragmentation: deviation from power law in primary radiation damage , 2017 .
[56] A. Kosevich. The Crystal Lattice: Phonons, Solitons, Dislocations , 1999 .
[57] P. Dederichs,et al. Anisotropic diffusion in stress fields , 1978 .
[58] K. Nordlund,et al. Direct observation of size scaling and elastic interaction between nano-scale defects in collision cascades , 2015, 1503.02922.
[59] Jonathan A. Zimmerman,et al. Calculation of stress in atomistic simulation , 2004 .
[60] Hafner,et al. Ab initio molecular-dynamics simulation of the liquid-metal-amorphous-semiconductor transition in germanium. , 1994, Physical review. B, Condensed matter.
[61] Georg Kresse,et al. The AM05 density functional applied to solids. , 2008, The Journal of chemical physics.
[62] S. Dudarev,et al. Elastic fields, dipole tensors, and interaction between self-interstitial atom defects in bcc transition metals , 2018 .
[63] Jean-Christophe Sublet,et al. Energy spectra of primary knock-on atoms under neutron irradiation , 2015, 1506.08554.
[64] M. Hernández-Mayoral,et al. Metallurgical properties of reduced activation martensitic steel Eurofer’97 in the as-received condition and after thermal ageing , 2002 .
[65] A. Stukowski. Visualization and analysis of atomistic simulation data with OVITO–the Open Visualization Tool , 2009 .
[66] S. Dudarev,et al. Non-local model for diffusion-mediated dislocation climb and cavity growth , 2017 .