Mechanical strength and coordination defects in compressed silica glass: Molecular dynamics simulations (Articolo in rivista)

Type

• Prodotto della ricerca (Classe)
• Articolo in rivista (Classe)

Label

• Mechanical strength and coordination defects in compressed silica glass: Molecular dynamics simulations (Articolo in rivista) (literal)

Anno

• 2007-01-01T00:00:00+01:00 (literal)

Alternative label

• Liang, YF; Miranda, CR; Scandolo, S (2007)
  Mechanical strength and coordination defects in compressed silica glass: Molecular dynamics simulations
  
  (literal)

Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#autori

• Liang, YF; Miranda, CR; Scandolo, S (literal)

Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#numeroVolume

• 75 (literal)

Note

• ISI Web of Science (WOS) (literal)

Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#affiliazioni

• SISSA, Int Sch Adv Studies, I-34014 Trieste, Italy; Abdus Salam Int Ctr Theoret Phys, I-34014 Trieste, Italy; INFM, CNR, Natl Simulat Ctr, I-34014 Trieste, Italy (literal)

Titolo

• Mechanical strength and coordination defects in compressed silica glass: Molecular dynamics simulations (literal)

Abstract

• Contrary to ordinary solids, which are normally known to harden by compression, the compressibility of SiO2 (silica) glass has a maximum at about 2-4 GPa and its mechanical strength shows a minimum around 10 GPa. At this pressure, the compression of silica glass undergoes a change from purely elastic to plastic, and samples recovered from above 10 GPa are found to be permanently densified. Using an improved, ab initio parametrized interatomic potential for SiO2 we provide here a unified picture of the compression mechanisms based on the pressure-induced appearance of unquenchable fivefold defects. By means of molecular-dynamic simulations we find them to be responsible for the reduction of the mechanical strength and for permanent densification. We also find that the compressibility maximum does not require changes of the tetrahedral network topology. (literal)

Prodotto di

• Teoria, simulazione e progetto assistito dal calcolatore di materiali nanostrutturati (MD.P06.025.001) (Modulo)

Autore CNR

• SANDRO SCANDOLO (Unità di personale esterno)
• YUNFENG LIANG (Unità di personale esterno)

Insieme di parole chiave

• Parole chiave di "Mechanical strength and coordination defects in compressed silica glass: Molecular dynamics simulations" (Insieme di parole chiave)

Incoming links:

Autore CNR di

• YUNFENG LIANG (Unità di personale esterno)
• SANDRO SCANDOLO (Unità di personale esterno)

Prodotto

• Teoria, simulazione e progetto assistito dal calcolatore di materiali nanostrutturati (MD.P06.025.001) (Modulo)

Insieme di parole chiave di

• Parole chiave di "Mechanical strength and coordination defects in compressed silica glass: Molecular dynamics simulations" (Insieme di parole chiave)