Selective nonthermal melting in phlogopite under ultrafast energy deposition

Kód výsledku v IS VaVaI

<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F68378271%3A_____%2F25%3A00642492" target="_blank" >RIV/68378271:_____/25:00642492 - isvavai.cz</a>

Nalezeny alternativní kódy

RIV/61389021:_____/25:00648110

Výsledek na webu

<a href="https://hdl.handle.net/11104/0374442" target="_blank" >https://hdl.handle.net/11104/0374442</a>

DOI - Digital Object Identifier

<a href="http://dx.doi.org/10.1021/acs.jpcc.5c06758" target="_blank" >10.1021/acs.jpcc.5c06758</a>

Jazyk výsledku

angličtina

Název v původním jazyce

Selective nonthermal melting in phlogopite under ultrafast energy deposition

Popis výsledku v původním jazyce

Phlogopite is a complex magnesium-rich mineral from the dark mica group, KMg3(AlSi3O10)(OH)2. Its response to ultrafast excitation of its electronic system is studied using a hybrid model that combines tight-binding molecular dynamics with transport Monte Carlo and the Boltzmann equation. Simulations predict that at the deposited dose of ∼0.17 eV/atom (electronic temperature Te ∼ 11,000 K), the first hydrogens start to migrate in the otherwise preserved lattice, transiently turning mica into a superionic state. At the dose of ∼0.4 eV/atom (Te ∼ 13,000 K), Mg atoms start to diffuse like a liquid within stable sublattices of other elements, suggesting a superionic−superionic phase transition. At a dose of approximately 0.5 eV/atom (Te ∼ 14,000 K), the entire atomic lattice destabilizes, disordering on a picosecond time scale. It is accompanied by the formation of defect energy levels inside the bandgap. At the dose of ∼0.9 eV/atom (Te ∼ 16,000 K), the bandgap completely collapses, turning the material metallic (electronically conducting). At even higher doses, nonthermal acceleration of atoms heats the atomic system at ultrafast time scales, K and O elements are most affected, accelerating within a few tens of femtoseconds.

Název v anglickém jazyce

Selective nonthermal melting in phlogopite under ultrafast energy deposition

Popis výsledku anglicky

Phlogopite is a complex magnesium-rich mineral from the dark mica group, KMg3(AlSi3O10)(OH)2. Its response to ultrafast excitation of its electronic system is studied using a hybrid model that combines tight-binding molecular dynamics with transport Monte Carlo and the Boltzmann equation. Simulations predict that at the deposited dose of ∼0.17 eV/atom (electronic temperature Te ∼ 11,000 K), the first hydrogens start to migrate in the otherwise preserved lattice, transiently turning mica into a superionic state. At the dose of ∼0.4 eV/atom (Te ∼ 13,000 K), Mg atoms start to diffuse like a liquid within stable sublattices of other elements, suggesting a superionic−superionic phase transition. At a dose of approximately 0.5 eV/atom (Te ∼ 14,000 K), the entire atomic lattice destabilizes, disordering on a picosecond time scale. It is accompanied by the formation of defect energy levels inside the bandgap. At the dose of ∼0.9 eV/atom (Te ∼ 16,000 K), the bandgap completely collapses, turning the material metallic (electronically conducting). At even higher doses, nonthermal acceleration of atoms heats the atomic system at ultrafast time scales, K and O elements are most affected, accelerating within a few tens of femtoseconds.

Druh

J_imp - Článek v periodiku v databázi Web of Science

CEP obor

—

OECD FORD obor

10302 - Condensed matter physics (including formerly solid state physics, supercond.)

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 Physical Chemistry C

ISSN

1932-7447

e-ISSN

1932-7455

Svazek periodika

129

Číslo periodika v rámci svazku

46

Stát vydavatele periodika

US - Spojené státy americké

Počet stran výsledku

8

Strana od-do

20840-20847

Kód UT WoS článku

001608568900001

EID výsledku v databázi Scopus

2-s2.0-105022218634