S. L. Dudarev P. Liu D. A. Andersson C. R. Stanek T. Ozaki C. Franchini
Unraveling the complexity of non-collinear magnetism in materials with strongly correlated electrons is a considerable task that requires developing and applying state of the art theories and computational methods. Using the Coury model Hamiltonian, which includes spin and orbital degrees of freedom and generalizes the collinear Stoner Hamiltonian,…
PreprintGerald Pintsuk Giaocomo Aiello Sergei L. Dudarev Michael Gorley Jean Henry Marianne Richou Michael Rieth D. Terentyev Rafael Vila
The EUROfusion materials research program for DEMO in-vessel components aligns with the European Fusion Roadmap and comprises the characterization and qualification of the in-vessel baseline materials EUROFER97, CuCrZr and tungsten, advanced structural and high heat flux materials developed for risk mitigation, as well as optical and dielectric fun…
Preprint PublishedA. BreidiS. L. Dudarev
Thermal evolution and high temperature annealing of dislocation microstructure of an irradiated metal, described by an ensemble of in…
PurchaseA. Hollingsworth M.-F. Barthe M.Yu. Lavrentiev P.M. Derlet S.L. Dudarev D.R. Mason Z. Hub P. Desgardin J. Hess S. Davies B. Thomas H. Salter E.F.J. Shelton K. Heinolade K. Mizohatad A. De Backera A. Baron-Wiechec I. Jepuh Y. Zayachuka A. Widdowson E. Meslini A. Morelleci
Self-ion irradiation of pure tungsten with 2 MeV W ions provides a way of simulating microstructures generated by neutron irradiation in tungsten components of a fusion reactor. Electron microscopy has been used to characterize defects formed in tungsten samples by ion irradiation and estimate their density and size distribution. Some of the sample…
Preprint PurchaseL. Reali M. Boleininger M. R. Gilbert S. L. Dudarev
Using the notion of eigenstrain produced by the defects formed in a material exposed to high energy neutron irradiation, we develop a method for computing macroscopic elastic stress and strain arising in components of a fusion power plant during operation. In a microstructurally isotropic material, the primary cause of macroscopic elastic stress an…
Preprint PublishedAndrew R. Warwick Max Boleininger Sergei L. Dudarev
Using atomistic simulations based on the creation-relaxation algorithm, we explore the evolution of microstructure in irradiated zirconium over a broad range of radiation exposure. In agreement with experimental observations, we find that at relatively low temperatures, microstructure evolves towards an asymptotic dynamic steady state forming at…
Preprint PublishedDaniel R. Mason Fredric Granberg Max Boleininger Thomas Schwarz-Selinger Kai Nordlund Sergei L. Dudarev
Hydrogen isotopes are retained in materials for fusion power applications, changing both hydrogen embrittlement and tritium inventory as the microstructure undergoes irradiation damage. But modelling of the highly damaged regime – over 0.1 displacements per atom (dpa) – where asymptotic saturation is observed, is difficult because a highly dama…
Preprint PurchasePui-Wai Ma Sergei L. Dudarev
The concept of elastic dipole tensor of a defect is generalised to enable the treatment of lattice distortions, produced by defects at elevated temperatures. Thermodynamic and statistical mechanics derivations show the feasibility of computing the formation free energy and finite-temperature elastic dipole tensor of a $frac{1}{2}langle 111 rangle$ …
Preprint PublishedK. Arakawa Z. Bergstrom M.J. Caturla S.L. Dudarev F. Gao M.R. Gilbert A.M. Goryaeva S.Y. Hu X. Hu R.J. Kurtz A. Litnovsky J. Marian M.-C. Marinica E. Martinez E.A. Marquis D.R. Mason B.N. Nguyen P. Olsson Y. Osetskiy D. Senor
Prediction of material performance in fusion reactor environments relies on computational modelling, and will continue to do so until the first generation of fusion power plants come on line and allow long-term behaviour to be observed. In the meantime, the modelling is supported by experiments that attempt to replicate some aspects of the eventua…
Preprint PublishedM. Boleininger M. Gallauer S. L. Dudarev T. D. Swinburne D. R. Mason D. Perez
The ability of a body-centered cubic metal to deform plastically is limited by the thermally activated glide motion of screw dislocations, which are line defects with a mobility exhibiting complex dependence on temperature, stress, and dislocation segment length. We derive an analytical expression for the velocity of dislocation glide, based on a s…
Preprint Published