Stainless steel in an electronically excited state

Kód výsledku v IS VaVaI

<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F68378271%3A_____%2F25%3A00640323" target="_blank" >RIV/68378271:_____/25:00640323 - isvavai.cz</a>

Nalezeny alternativní kódy

RIV/61389021:_____/25:00648107

Výsledek na webu

<a href="https://hdl.handle.net/11104/0370728" target="_blank" >https://hdl.handle.net/11104/0370728</a>

DOI - Digital Object Identifier

<a href="http://dx.doi.org/10.1088/1361-6463/ae0fa3" target="_blank" >10.1088/1361-6463/ae0fa3</a>

Jazyk výsledku

angličtina

Název v původním jazyce

Stainless steel in an electronically excited state

Popis výsledku v původním jazyce

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 (Fe0.5875Cr0.25Mn0.09Ni0.07C0.0025) 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 ∼ 11 400 K (the dose ∼1.8 eV atom−1), 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−1), 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.

Název v anglickém jazyce

Stainless steel in an electronically excited state

Popis výsledku anglicky

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 (Fe0.5875Cr0.25Mn0.09Ni0.07C0.0025) 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 ∼ 11 400 K (the dose ∼1.8 eV atom−1), 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−1), 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.

Druh

J_imp - Článek v periodiku v databázi Web of Science

CEP obor

—

OECD FORD obor

10306 - Optics (including laser optics and quantum optics)

Projekt

<a href="/cs/project/LM2023068" target="_blank" >LM2023068: Prague Asterix Laser System</a><br>

Návaznosti

I - Institucionalni podpora na dlouhodoby koncepcni rozvoj vyzkumne organizace

Rok uplatnění

2025

Kód důvěrnosti údajů

S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

Název periodika

Journal of Physics D-Applied Physics

ISSN

0022-3727

e-ISSN

1361-6463

Svazek periodika

58

Číslo periodika v rámci svazku

42

Stát vydavatele periodika

US - Spojené státy americké

Počet stran výsledku

10

Strana od-do

425301

Kód UT WoS článku

001595126300001

EID výsledku v databázi Scopus

2-s2.0-105019378822