Stainless steel in an electronically excited state
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arXiv
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| Format: | Preprint |
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2025
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| _version_ | 1866911230541692928 |
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| author | Medvedev, Nikita |
| author_facet | Medvedev, Nikita |
| contents | Understanding the non-equilibrium behavior of stainless steel under extreme electronic excitation remains a critical challenge for laser processing and radiation science. We employ a hybrid framework integrating density-functional tight binding, transport Monte Carlo, and Boltzmann equations to model austenitic stainless steel (Fe$_{0.5875}$Cr$_{0.25}$Mn$_{0.09}$Ni$_{0.07}$C$_{0.0025}$) under ultrafast irradiation. The developed approach uniquely bridges atomic-scale electronic dynamics and mesoscale material responses, enabling the quantitative mapping of electron-temperature-dependent properties (electronic heat capacity, thermal conductivity, and electron-phonon coupling) up to the electronic temperatures Te~25,000 K. Two distinct lattice disordering mechanisms are identified: nonthermal melting at Te~10,000 K (the dose ~1.4 eV/atom), where the lattice collapses on sub-picosecond timescales without atomic heating driven by electronic excitation modifying the interatomic potential; and thermal melting (at ~0.45 eV/atom), induced by electron-phonon coupling on picosecond timescales. The derived parameters enable predictive modeling of stainless steel under extreme conditions, with implications for laser machining and radiation-resistant material design. |
| format | Preprint |
| id |
arxiv_https___arxiv_org_abs_2504_19798 |
| institution | arXiv |
| publishDate | 2025 |
| record_format | arxiv |
| spellingShingle | Stainless steel in an electronically excited state Medvedev, Nikita Materials Science Understanding the non-equilibrium behavior of stainless steel under extreme electronic excitation remains a critical challenge for laser processing and radiation science. We employ a hybrid framework integrating density-functional tight binding, transport Monte Carlo, and Boltzmann equations to model austenitic stainless steel (Fe$_{0.5875}$Cr$_{0.25}$Mn$_{0.09}$Ni$_{0.07}$C$_{0.0025}$) under ultrafast irradiation. The developed approach uniquely bridges atomic-scale electronic dynamics and mesoscale material responses, enabling the quantitative mapping of electron-temperature-dependent properties (electronic heat capacity, thermal conductivity, and electron-phonon coupling) up to the electronic temperatures Te~25,000 K. Two distinct lattice disordering mechanisms are identified: nonthermal melting at Te~10,000 K (the dose ~1.4 eV/atom), where the lattice collapses on sub-picosecond timescales without atomic heating driven by electronic excitation modifying the interatomic potential; and thermal melting (at ~0.45 eV/atom), induced by electron-phonon coupling on picosecond timescales. The derived parameters enable predictive modeling of stainless steel under extreme conditions, with implications for laser machining and radiation-resistant material design. |
| title | Stainless steel in an electronically excited state |
| topic | Materials Science |
| url | https://arxiv.org/abs/2504.19798 |