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INFLUENCE OF P ATOMS ON AN IRRADIATED a -IRON MATRIX

This study investigates the impact of phosphorus atoms on an irradiated alpha-iron matrix, focusing on their influence in nuclear pressure vessels. Simulations explore the segregation and diffusion mechanisms of phosphorus atoms using various potentials and simulation techniques at 300K. Results show an increase in cluster production and the stabilization and migration of defect clusters by phosphorus atoms.

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INFLUENCE OF P ATOMS ON AN IRRADIATED a -IRON MATRIX

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  1. INFLUENCE OF P ATOMS ON AN IRRADIATED a-IRON MATRIX HURRYRAMSINGH HURCHAND PROF. R . SMITH, DR. S.D. KENNY LOUGHBOROUGH UNIVERSITY

  2. Overview • Aim of Simulations • Methodology • P in a-Fe • Results • Conclusions

  3. Aim of Simulations • Segregation of P atoms to steel GB in nuclear pressure vessels • Mechanism explaining diffusion of P atoms

  4. Methodology • Potentials used • Fe-Fe Ackland Potential • Fe-P and P-P Morse Potentials • P atoms placed randomly as <110> Dumbbells (0.04%) • Relaxed using damped MD • Simulations performed at 300K • 3D PBC employed

  5. Fe P Vacancy 2 keV Cascade

  6. Results Number of Frenkel pairs Simulation time ( fs )

  7. Results • INCREASE IN THE NUMBER OF CLUSTERS PRODUCED Number of interstitial clusters PKA energy (keV)

  8. Results FFeP (Residual Frenkel pairs in FeP case) vs FFe (Residual Frenkel Pairs Fe case) FFeP - FFe PKA energy (keV)

  9. Conclusions • P atoms act to stabilize defect clusters • Migration of clusters is observed • P migrates with the clusters

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