Publikationer från Malmö universitet
Endre søk
RefereraExporteraLink to record
Permanent link

Direct link
Referera
Referensformat
  • apa
  • ieee
  • modern-language-association-8th-edition
  • vancouver
  • Annet format
Fler format
Språk
  • de-DE
  • en-GB
  • en-US
  • fi-FI
  • nn-NO
  • nn-NB
  • sv-SE
  • Annet språk
Fler språk
Utmatningsformat
  • html
  • text
  • asciidoc
  • rtf
Atomistic investigation of functionalized polyethylene-alumina interfacial strength and tensile behaviour
Malmö universitet, Fakulteten för teknik och samhälle (TS), Institutionen för materialvetenskap och tillämpad matematik (MTM). Division of Mechanics, Lund University, Box 118, Lund, SE-221 00, Sweden.ORCID-id: 0000-0002-7606-1673
Tetra Pak Packaging Solutions AB, Ruben Rausings gata, Lund, SE-221 86, Sweden.
2021 (engelsk)Inngår i: Computational materials science, ISSN 0927-0256, E-ISSN 1879-0801, Vol. 187, artikkel-id 110075Artikkel i tidsskrift (Fagfellevurdert) Published
Abstract [en]

We study the adhesion and tensile behaviour of bi-layer interfaces comprising polyethylene, doped with carbonyl and hydroxyl functional groups emanating from ozone treatment, and α" role="presentation">-Al2O3" role="presentation"> by means of density functional theory and classical atomistic modelling. The results show that the deformations are localized within the polymer and comprise chain slip, disentanglement and detachment from the substrate, where only the latter is notably affected by the doping. The binding energies and excess forces associated with the detachment of functional groups from the alumina substrate are of the order of 1.7 eV and 1 nN, respectively, for both types. Although such forces do not affect the maximum peak stress notably, they give rise to spikes in the traction-separation curves following the fibril formation and promote increased total work of fracture.

sted, utgiver, år, opplag, sider
Elsevier, 2021. Vol. 187, artikkel-id 110075
Emneord [en]
Adhesion, Polyethylene, Alumina, Molecular dynamics, Density functional theory
HSV kategori
Identifikatorer
URN: urn:nbn:se:mau:diva-28094DOI: 10.1016/j.commatsci.2020.110075ISI: 000600373200005Scopus ID: 2-s2.0-85094886106OAI: oai:DiVA.org:mau-28094DiVA, id: diva2:1489813
Forskningsfinansiär
Swedish Foundation for Strategic Research , SM17-0020The Crafoord Foundation, 20160740Tilgjengelig fra: 2020-11-03 Laget: 2020-11-03 Sist oppdatert: 2024-06-17bibliografisk kontrollert

Open Access i DiVA

fulltext(5054 kB)318 nedlastinger
Filinformasjon
Fil FULLTEXT01.pdfFilstørrelse 5054 kBChecksum SHA-512
1285d805b0cd1ab7ad30986dd843eb33d2895fabc821c7417d78206d6b1ab035eae23d9989a21c2d6c9954a955f271b660596d4670573ceea25e74a7f2e164e6
Type fulltextMimetype application/pdf

Andre lenker

Forlagets fulltekstScopus

Person

Olsson, Pär A T

Søk i DiVA

Av forfatter/redaktør
Olsson, Pär A T
Av organisasjonen
I samme tidsskrift
Computational materials science

Søk utenfor DiVA

GoogleGoogle Scholar
Totalt: 319 nedlastinger
Antall nedlastinger er summen av alle nedlastinger av alle fulltekster. Det kan for eksempel være tidligere versjoner som er ikke lenger tilgjengelige

doi
urn-nbn

Altmetric

doi
urn-nbn
Totalt: 199 treff
RefereraExporteraLink to record
Permanent link

Direct link
Referera
Referensformat
  • apa
  • ieee
  • modern-language-association-8th-edition
  • vancouver
  • Annet format
Fler format
Språk
  • de-DE
  • en-GB
  • en-US
  • fi-FI
  • nn-NO
  • nn-NB
  • sv-SE
  • Annet språk
Fler språk
Utmatningsformat
  • html
  • text
  • asciidoc
  • rtf