Abstract <p>This study employs molecular dynamics simulations to examine temperature effects on collision cascade evolution in gold following 250 eV primary knock-on atom events across thermal conditions of 0, 100, 300, and 1000 K. The ballistic collision phase shows minimal temperature dependence, with all systems reaching peak displacement within 0.2–0.4 ps. However, the subsequent relaxation phase exhibits pronounced temperature sensitivity. High-temperature systems (1000 K) achieve nearly complete defect recovery (1–2 residual defects) within 6 ps through enhanced atomic mobility, while cryogenic systems retain 5–7 persistent defects. Mean square displacement analysis reveals threefold greater post-cascade atomic migration at 1000 K compared to 0 K. Chi-squared analysis of velocity distributions demonstrates that elevated temperatures accelerate thermal equilibration, with high-temperature systems reaching Maxwell–Boltzmann equilibrium within one picosecond versus over three picoseconds for low-temperature conditions. These findings establish operational temperature as a critical factor governing defect retention in irradiated face-centered cubic metals, with important implications for radiation damage prediction across diverse thermal environments.</p>

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Temperature Dependence of Radiation Cascade Damage and Recovery in Gold

  • H. M. Qadr

摘要

Abstract

This study employs molecular dynamics simulations to examine temperature effects on collision cascade evolution in gold following 250 eV primary knock-on atom events across thermal conditions of 0, 100, 300, and 1000 K. The ballistic collision phase shows minimal temperature dependence, with all systems reaching peak displacement within 0.2–0.4 ps. However, the subsequent relaxation phase exhibits pronounced temperature sensitivity. High-temperature systems (1000 K) achieve nearly complete defect recovery (1–2 residual defects) within 6 ps through enhanced atomic mobility, while cryogenic systems retain 5–7 persistent defects. Mean square displacement analysis reveals threefold greater post-cascade atomic migration at 1000 K compared to 0 K. Chi-squared analysis of velocity distributions demonstrates that elevated temperatures accelerate thermal equilibration, with high-temperature systems reaching Maxwell–Boltzmann equilibrium within one picosecond versus over three picoseconds for low-temperature conditions. These findings establish operational temperature as a critical factor governing defect retention in irradiated face-centered cubic metals, with important implications for radiation damage prediction across diverse thermal environments.