Cluster Dynamics Modeling with Bubble Nucleation, Growth and Coalescence
By:
De Almeida, Valmor F; Blondel, Sophie ; Bernholdt, David E; Wirth, Brian
Publication Date:
November 9, 2023
Abstract
The topic of this communication pertains to defect formation in irradiated solids such
as plasma-facing tungsten submitted to helium implantation in fusion reactor com-
ponents, and nuclear fuel (metal and oxides) submitted to volatile ssion product
generation in nuclear reactors. The purpose of this progress report is to describe ef-
forts towards addressing the prediction of long-time evolution of defects via continuum
cluster dynamics simulation. The diculties are twofold. First, realistic, long-time
dynamics in reactor conditions leads to a non-dilute diusion regime which is not
accommodated by the prevailing dilute, stressless cluster dynamics theory. Second,
long-time dynamics calls for a large set of species (ideally an innite set) to capture all
possible emerging defects, and this represents a computational bottleneck. Extensions
beyond the dilute limit is a signicant undertaking since no model has been advanced
to extend cluster dynamics to non-dilute, deformable conditions. Here our proposed
approach to model the non-dilute limit is to monitor the appearance of a spatially
localized void volume fraction in the solid matrix with a bell shape prole and insert
an explicit geometrical bubble onto the support of the bell function. The newly cre-
ated internal moving boundary provides the means to account for the interfacial
ux
of mobile species into the bubble, and the growth of bubbles allows for coalescence
phenomena which captures highly non-dilute interactions. We present a preliminary
interfacial kinematic model with associated interfacial diusion transport to follow
the evolution of the bubble in any number of spatial dimensions and any number of
bubbles, which can be further extended to include a deformation theory. Finally we
comment on a computational front-tracking method to be used in conjunction with
conventional cluster dynamics simulations in the non-dilute model proposed.