Stability of graphene hyperbolic pseudospheres under harsh conditions

Kód výsledku v IS VaVaI

<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F61989100%3A27740%2F25%3A10258824" target="_blank" >RIV/61989100:27740/25:10258824 - isvavai.cz</a>

Nalezeny alternativní kódy

RIV/00216208:11320/25:10505299

Výsledek na webu

<a href="https://link.springer.com/article/10.1007/s00339-025-09040-6" target="_blank" >https://link.springer.com/article/10.1007/s00339-025-09040-6</a>

DOI - Digital Object Identifier

<a href="http://dx.doi.org/10.1007/s00339-025-09040-6" target="_blank" >10.1007/s00339-025-09040-6</a>

Jazyk výsledku

angličtina

Název v původním jazyce

Stability of graphene hyperbolic pseudospheres under harsh conditions

Popis výsledku v původním jazyce

We demonstrate the high stability of simulated graphene hyperbolic pseudospheres under large externally imposed deformations and high temperature annealing. Hyperbolic pseudospheres are produced in a two-step Molecular Dynamics simulation process. First, carbon atoms are forced down a thin three-dimensional volume of a chosen shape. During this extrusion process the carbon atoms form a precursor to graphene that is unrealistically less stable than graphite or diamond. Then the unstable carbon structure is annealed inside the thin volume at high temperature, turning the carbon into realistic polycrystalline, curved graphene. Point defects naturally appear in numbers and places that stabilize the graphene in the desired shape, without high residual stresses. We applied this new methodology to the creation of graphene hyperbolic pseudosphere surfaces, which reproduce analogs to some aspects of classical or quantum gravity. The free edges of the pseudosphere cause bending of the graphene. When these free edges are removed from the simulations by attaching periodic flat graphene sheets to the pseudosphere edges, the carbon atoms assume positions just some tenths of Å from the mathematical hyperbolic pseudosphere surface. In demanding tests of their stability, the hyperbolic pseudospheres proved stable against 20° shearing or 20% elongation and then being released, which eventually raised their temperatures by ~ 300 K. Our methodology is relatively easy to use and offers a practical way to create simulated curved graphene surfaces of almost any shape. It allows for thorough testing in advance of the stability of graphene shapes that are to be produced experimentally.

Název v anglickém jazyce

Stability of graphene hyperbolic pseudospheres under harsh conditions

Popis výsledku anglicky

We demonstrate the high stability of simulated graphene hyperbolic pseudospheres under large externally imposed deformations and high temperature annealing. Hyperbolic pseudospheres are produced in a two-step Molecular Dynamics simulation process. First, carbon atoms are forced down a thin three-dimensional volume of a chosen shape. During this extrusion process the carbon atoms form a precursor to graphene that is unrealistically less stable than graphite or diamond. Then the unstable carbon structure is annealed inside the thin volume at high temperature, turning the carbon into realistic polycrystalline, curved graphene. Point defects naturally appear in numbers and places that stabilize the graphene in the desired shape, without high residual stresses. We applied this new methodology to the creation of graphene hyperbolic pseudosphere surfaces, which reproduce analogs to some aspects of classical or quantum gravity. The free edges of the pseudosphere cause bending of the graphene. When these free edges are removed from the simulations by attaching periodic flat graphene sheets to the pseudosphere edges, the carbon atoms assume positions just some tenths of Å from the mathematical hyperbolic pseudosphere surface. In demanding tests of their stability, the hyperbolic pseudospheres proved stable against 20° shearing or 20% elongation and then being released, which eventually raised their temperatures by ~ 300 K. Our methodology is relatively easy to use and offers a practical way to create simulated curved graphene surfaces of almost any shape. It allows for thorough testing in advance of the stability of graphene shapes that are to be produced experimentally.

Druh

J_imp - Článek v periodiku v databázi Web of Science

CEP obor

—

OECD FORD obor

10300 - Physical sciences

Projekt

—

Návaznosti

—

Rok uplatnění

2025

Kód důvěrnosti údajů

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

Název periodika

Applied Physics A: Materials Science and Processing

ISSN

0947-8396

e-ISSN

1432-0630

Svazek periodika

131

Číslo periodika v rámci svazku

11

Stát vydavatele periodika

US - Spojené státy americké

Počet stran výsledku

11

Strana od-do

937

Kód UT WoS článku

001605706600004

EID výsledku v databázi Scopus

2-s2.0-105020941320