Effect of radiation-induced vacancy saturation on the first-order phase transformation in nanoparticles: insights from a model

• Aram Shirinyan and
• Yuriy Bilogorodskyy

Beilstein J. Nanotechnol. 2024, 15, 1453–1472, doi:10.3762/bjnano.15.117

• materials. Keywords: α-phase; β-phase; chemical rate theory; Fe; nanoparticle; nucleation; phase stability diagram; polymorphic phase transision; radiation stability; thermodynamics; vacancy saturation; Introduction Solid metal or ceramic nanoparticles with a diameter in the range of 1–100 nm, when placed

• ) the nucleation of a new phase. We leverage this competition to develop a fundamental description, employing both a thermodynamic approach based on the calculation of Gibbs free energy and a kinetic approach based on chemical rate theory. Given the complexity arising from multiple factors, it is

• , in order to study the effect of radiation on structure change. The paper is organized as follows: In Section “Theory”, we develop a thermodynamic approach and discuss a kinetic model of steady-state concentrations of radiation-induced defects based on chemical rate theory. Section “Results” focuses