Phase-field simulation of dose rate effect on the Cu precipitation with neutron irradiation

Literature Information

Publication Date 2021-01-16
DOI 10.1039/D0CP05777K
Impact Factor 3.676
Authors

Shahid Maqbool, Suleman Muhammad


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Abstract

Radiation-enhanced precipitation (REP) of Cu in Fe–Cu alloys results in hardening and degradation of the mechanical properties. By combining the CALPHAD-based free energy for phase-field modeling, and radiation-enhanced diffusion (RED) with neutron irradiating energetic particle, the precipitation of Cu in binary Fe–Cu alloys is studied under different dose rates, concentrations, and temperatures. Rate theory (RT) provides the RED that serves as an input parameter for the phase-field simulation to capture the morphology of the precipitates. The REP results agree with the theoretical predictions: the increase in the dose rates increases the concentration of defects, and accelerates the kinetics of precipitation. The simulation predicts the stability of the precipitates even under high damage rates. The increase in radius is achieved for high damage rates. Precipitate dissolution is observed to be dependent on the combination of dose rate, concentration, and temperature. The work also outlines the limitations of the model and the potential future improvements.

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Physical Chemistry Chemical Physics

Physical Chemistry Chemical Physics
CiteScore: 5.5
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Physical Chemistry Chemical Physics (PCCP) is an international journal co-owned by 19 physical chemistry and physics societies from around the world. This journal publishes original, cutting-edge research in physical chemistry, chemical physics and biophysical chemistry. To be suitable for publication in PCCP, articles must include significant innovation and/or insight into physical chemistry; this is the most important criterion that reviewers and Editors will judge against when evaluating submissions. The journal has a broad scope and welcomes contributions spanning experiment, theory, computation and data science. Topical coverage includes spectroscopy, dynamics, kinetics, statistical mechanics, thermodynamics, electrochemistry, catalysis, surface science, quantum mechanics, quantum computing and machine learning. Interdisciplinary research areas such as polymers and soft matter, materials, nanoscience, energy, surfaces/interfaces, and biophysical chemistry are welcomed if they demonstrate significant innovation and/or insight into physical chemistry. Joined experimental/theoretical studies are particularly appreciated when complementary and based on up-to-date approaches.

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