-
UKAEA-CCFE-PR(24)2672024
The self-passivating yttrium-containing WCr alloy has been developed and researched as a potential plasma-facing armour material for fusion power plants. This study explores the use of yttria (Y2O3) powders instead of yttrium elemental powders in the mechanical alloying process to assess their applicability in this material. Fabricated through f…
-
UKAEA-CCFE-PR(24)2272024
Tungsten is one of the primary materials for several applications in commercial fusion power plant designs, in particular for divertor targets and the first wall. In maintenance conditions or during a loss of coolant accident, tungsten is expected to reach temperatures at which it readily volatilises as tungsten trioxide in contact with air, potent…
-
UKAEA-CCFE-PR(24)2492023
Short-range order (SRO) in multicomponent concentrated alloys affects their mechanical response. Hence, is paramount to understand how composition modifies the chemical ordering in the system to design materials with optimal properties. We present here a methodology to predict the SRO and thermodynamic properties in chemically complex systems an…
-
UKAEA-CCFE-PR(24)2402023
In this study, we compare the formation of radiation induced defects in W and W-Re-Os alloys, exposed to an equivalent dose of self-ion and neutron irradiation. Transmutation reactions in the neutron irradiated material are simulated in the ion implanted materials by alloying with representative quantities of Re and Os (1.4 and 0.1 at.% respecti…
-
UKAEA-CCFE-PR(24)062023
We describe the parameterization of a tungsten-hydrogen empirical potential designed for use with large-scale molecular dynamics simulations of highly irradiated tungsten containing hydrogen isotope atoms, and report test results. Particular attention has been paid to getting good elastic properties, including the relaxation volumes of small def…
-
UKAEA-CCFE-PR(23)172023
Tungsten (W) is considered a leading candidate for structural and functional materials in future fusion energy devices. The most attractive properties of tungsten for magnetic and inertial fusion energy reactors are its high melting point, high thermal conductivity, low sputtering yield, and low long-term disposal radioactive footprint. However, t…
-
UKAEA-CCFE-PR(24)2422022
Spinodal phase separation in SMART materials based on binary W-Cr with alloying 1 elements Y and Zr is systematically investigated by a combination of Density Functional Theory with Cluster Expansion Hamiltonian and large-scale Monte Carlo simulations with thermodynamic integration. Comparing alloying of Zr with those from Y, it is shown that there…
-
UKAEA-CCFE-PR(23)1162022
Using exchange Monte Carlo (MC) simulations based on an ab initio-parameterized Cluster Expansion (CE) model, we explore the phase stability of low-Cr Fe-Cr alloys as a function of vacancy (Vac), carbon, and nitrogen interstitial impurity content. To parameterise the CE model, we perform density functional theory calculations for more than 1600 …
-
UKAEA-CCFE-PR(22)492022
In the quest of new materials that can withstand severe irradiation and mechanical extremes for advanced applications (e.g. fission reactors, fusion devices, space applications, etc), design, prediction and control of advanced materials beyond current material designs become a paramount goal. Here, though a combined experimental and simula…
-
UKAEA-CCFE-PR(22)432022
We present a Density Functional Theory-based cluster expansion model to predict the configurational energy of a multicomponent W-Ta-Cr-V-Hf quinary alloy. Coupled with Monte Carlo simulations we show that the model reproduces experimental observations. We analyze the thermodynamic properties of the W.31Ta.34Cr.05V.27Hf.03 system and observe two ph…
Showing 1 - 10 of 24 UKAEA Paper Results