Synergy for Enhancing Strength and Toughness of Diamond through Polytypic Heterointerface

Kód výsledku v IS VaVaI

<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F61989100%3A27740%2F25%3A10257568" target="_blank" >RIV/61989100:27740/25:10257568 - isvavai.cz</a>

Nalezeny alternativní kódy

RIV/00216208:11320/25:10497680

Výsledek na webu

<a href="https://pubs.acs.org/doi/10.1021/acs.jpcc.5c00702" target="_blank" >https://pubs.acs.org/doi/10.1021/acs.jpcc.5c00702</a>

DOI - Digital Object Identifier

<a href="http://dx.doi.org/10.1021/acs.jpcc.5c00702" target="_blank" >10.1021/acs.jpcc.5c00702</a>

Jazyk výsledku

angličtina

Název v původním jazyce

Synergy for Enhancing Strength and Toughness of Diamond through Polytypic Heterointerface

Popis výsledku v původním jazyce

Hierarchical diamond nanocomposites, incorporating diverse coherently interfaced diamond polytypes, exhibit remarkable fracture toughness while maintaining exceptional hardness. However, the underlying mechanisms governing the strengthening and toughening of these polytypic heterointerfaces (PHIs) remain elusive. In this study, we employed first-principles approaches to derive the ideal strength and Peierls stress, conducting a comprehensive investigation into the influence of various PHIs on the plasticity of nanostructured diamond. A ubiquitous strengthening effect was observed across all PHI types under uniform shear deformation, as the introduction of PHIs invariably aligned aportion of the crystal in the hard shear direction, yielding strength comparable to that of the nanotwinned diamond. Surprisingly, graphitization and bond collapsewere suppressed through a sequential transformation of stacking sequences, including an experimentally observed non-3C to 3C polytype transition. This phenomenon was attributed to the systematic bond realignment driven by continuous metallization confined to specific atomic layers. The heterointerface-mediated bonding reorganization effectively dissipated energy through phase transitions, thereby achieving supertoughness. Under localized deformation, all PHIs were found to enhance the barrier againstparallel slip of 1/2 ⟨110⟩ shuffle-set full dislocations and 1/6 ⟨112⟩ glide-set partial dislocations, leading to a pronounced strengthening effect. These findings not only deepen our fundamental understanding of the synergistic strengthening and toughening of diamond through PHIs but also offer valuable insights for the design of other superhard materials and engineering ceramics via coherent heterointerfaces.

Název v anglickém jazyce

Synergy for Enhancing Strength and Toughness of Diamond through Polytypic Heterointerface

Popis výsledku anglicky

Hierarchical diamond nanocomposites, incorporating diverse coherently interfaced diamond polytypes, exhibit remarkable fracture toughness while maintaining exceptional hardness. However, the underlying mechanisms governing the strengthening and toughening of these polytypic heterointerfaces (PHIs) remain elusive. In this study, we employed first-principles approaches to derive the ideal strength and Peierls stress, conducting a comprehensive investigation into the influence of various PHIs on the plasticity of nanostructured diamond. A ubiquitous strengthening effect was observed across all PHI types under uniform shear deformation, as the introduction of PHIs invariably aligned aportion of the crystal in the hard shear direction, yielding strength comparable to that of the nanotwinned diamond. Surprisingly, graphitization and bond collapsewere suppressed through a sequential transformation of stacking sequences, including an experimentally observed non-3C to 3C polytype transition. This phenomenon was attributed to the systematic bond realignment driven by continuous metallization confined to specific atomic layers. The heterointerface-mediated bonding reorganization effectively dissipated energy through phase transitions, thereby achieving supertoughness. Under localized deformation, all PHIs were found to enhance the barrier againstparallel slip of 1/2 ⟨110⟩ shuffle-set full dislocations and 1/6 ⟨112⟩ glide-set partial dislocations, leading to a pronounced strengthening effect. These findings not only deepen our fundamental understanding of the synergistic strengthening and toughening of diamond through PHIs but also offer valuable insights for the design of other superhard materials and engineering ceramics via coherent heterointerfaces.

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

—

Návaznosti

—

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

14

Stát vydavatele periodika

US - Spojené státy americké

Počet stran výsledku

10

Strana od-do

7116-7125

Kód UT WoS článku

001455902700001

EID výsledku v databázi Scopus

2-s2.0-105002636897