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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 …
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UKAEA-CCFE-PR(19)012018
The effects of radiation damage on materials are strongly dependant on temperature, making it arguably the most significant parameter of concern in nuclear engineering. Owing to the challenges and expense of irradiating and testing materials, material property data is often limited to few irradiation conditions and material variants. A new techniqu…
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