First-principles design of strong solids: Approaches and applications

Kód výsledku v IS VaVaI

<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F61989100%3A27740%2F19%3A10243652" target="_blank" >RIV/61989100:27740/19:10243652 - isvavai.cz</a>

Výsledek na webu

<a href="https://www.sciencedirect.com/science/article/abs/pii/S0370157319303060?via%3Dihub" target="_blank" >https://www.sciencedirect.com/science/article/abs/pii/S0370157319303060?via%3Dihub</a>

DOI - Digital Object Identifier

<a href="http://dx.doi.org/10.1016/j.physrep.2019.09.004" target="_blank" >10.1016/j.physrep.2019.09.004</a>

Jazyk výsledku

angličtina

Název v původním jazyce

First-principles design of strong solids: Approaches and applications

Popis výsledku v původním jazyce

In the design of strong solids, especially hard and superhard materials, this review article attempts to critically cover an extended field of first-principles derived mechanical properties by considering both intrinsic (i.e., crystal structures, bonding nature and strength) and extrinsic (i.e., nanostructures and interface characteristics) parameters. For the intrinsic parameters, firstly, the bonding topology and nature, elastic property and ductility-brittleness criterion provide critical physics on the understanding of the mechanical response of a crystal. Secondly, the ideal strength model, the generalized stacking fault energy model, and ab initio informed Peierls-Nabarro model uniquely quantify the fracture and plastic resistance of a crystal. Taking the extrinsic parameters into further consideration, the recent progress of first-principles investigations on the mechanical behavior of nanostructured solids and heterogeneous interfaces is selectively reviewed, targeted as the origin and/or carrier of the fracture or plastic deformation. These extrinsic parameters include the work of adhesion, the critical stresses for interfacial cleavage and glide and so on. Finally, by classifying the strong solids into intrinsically and extrinsically hard/superhard materials, two different rules are proposed: (1) three-dimensional short covalent bond networks with sufficiently high ideal strength and Peierls resistance and (2) nanosized crystallites/layers glued by strongly bonded thin interfaces. (C) 2019 Elsevier B.V. All rights reserved.

Název v anglickém jazyce

First-principles design of strong solids: Approaches and applications

Popis výsledku anglicky

In the design of strong solids, especially hard and superhard materials, this review article attempts to critically cover an extended field of first-principles derived mechanical properties by considering both intrinsic (i.e., crystal structures, bonding nature and strength) and extrinsic (i.e., nanostructures and interface characteristics) parameters. For the intrinsic parameters, firstly, the bonding topology and nature, elastic property and ductility-brittleness criterion provide critical physics on the understanding of the mechanical response of a crystal. Secondly, the ideal strength model, the generalized stacking fault energy model, and ab initio informed Peierls-Nabarro model uniquely quantify the fracture and plastic resistance of a crystal. Taking the extrinsic parameters into further consideration, the recent progress of first-principles investigations on the mechanical behavior of nanostructured solids and heterogeneous interfaces is selectively reviewed, targeted as the origin and/or carrier of the fracture or plastic deformation. These extrinsic parameters include the work of adhesion, the critical stresses for interfacial cleavage and glide and so on. Finally, by classifying the strong solids into intrinsically and extrinsically hard/superhard materials, two different rules are proposed: (1) three-dimensional short covalent bond networks with sufficiently high ideal strength and Peierls resistance and (2) nanosized crystallites/layers glued by strongly bonded thin interfaces. (C) 2019 Elsevier B.V. All rights reserved.

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

Výsledek vznikl pri realizaci vícero projektů. Více informací v záložce Projekty.

Návaznosti

P - Projekt vyzkumu a vyvoje financovany z verejnych zdroju (s odkazem do CEP)

Rok uplatnění

2019

Kód důvěrnosti údajů

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

Název periodika

Physics Reports

ISSN

0370-1573

e-ISSN

—

Svazek periodika

826

Číslo periodika v rámci svazku

826

Stát vydavatele periodika

US - Spojené státy americké

Počet stran výsledku

49

Strana od-do

1-49

Kód UT WoS článku

000498328200001

EID výsledku v databázi Scopus

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