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INFLUENCE OF P ATOMS ON AN IRRADIATED a -IRON MATRIX

INFLUENCE OF P ATOMS ON AN IRRADIATED a -IRON MATRIX. HURRYRAMSINGH HURCHAND PROF. R . SMITH, DR. S.D. KENNY LOUGHBOROUGH UNIVERSITY. Overview. Aim of Simulations Methodology P in a -Fe Results Conclusions. Aim of Simulations.

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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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