The 9th International Conference on Multiscale Materials Modeling

Presentation information

Symposium

B. Challenges in the Multiscale Modelling of Radiation Effects in Nuclear Materials

[SY-B8] Symposium B-8

Thu. Nov 1, 2018 4:00 PM - 5:30 PM Room10

Chair: Guang-Hong Lu(Beihang University, China)

[SY-B8] Modeling Re-precipitate hardening in neutron irradiated W and W-Re alloys: from point defects to macroscopic hardening

Chen-Hsi Huang1, Leili Gharaee2, Paul Erhart2, Jaime Marian1 (1.University of California Los Angeles, United States of America, 2.Chalmers University, Sweden)

High-temperature, high-dose, neutron irradiation of W results in the formation of Re-rich clusters at concentrations one order of magnitude lower than the thermodynamic solubility limit. These clusters may eventually transform into brittle W-Re intermetallic phases, leading to severe embrittlement and loss of thermal conductivity. Standard theories of radiation-enhanced diffusion and precipitation cannot explain the formation of these precipitates and so understanding the mechanism by which nonequilibrium clusters form under irradiation is crucial to predict material degradation and devise mitigation strategies. In this work, we integrate neutronics, primary damage calculations, molecular dynamics results, Re transmutation calculations, and stochastic cluster dynamics simulations to study neutron damage in single-crystal tungsten to mimic divertor materials. We study the material response under experimental conditions at the JOYO fast reactor and the High Flux Isotope Reactor, for which measurements of cluster densities and hardening levels exist. We then provide calculations under expected DEMO fusion conditions. Several key mechanisms involving Re atoms and defect clusters are found to govern the accumulation of irradiation damage in each case. We use established correlations to translate damage accumulation into hardening increases and compare our results to the experimental measurements. We find hardening increases in excess of 5000 MPa in all cases, which calls into question the performance of these materials under service conditions in fusion reactors.