Ändra sökning
RefereraExporteraLänk till posten
Permanent länk

Direktlänk
Referera
Referensformat
  • apa
  • harvard1
  • ieee
  • modern-language-association-8th-edition
  • vancouver
  • Annat format
Fler format
Språk
  • de-DE
  • en-GB
  • en-US
  • fi-FI
  • nn-NO
  • nn-NB
  • sv-SE
  • Annat språk
Fler språk
Utmatningsformat
  • html
  • text
  • asciidoc
  • rtf
Lubrication Behavior of Water Molecules Confined in TiO2 Nanoslits: A Molecular Dynamics Study
College of Chemical Engineering, State Key Laboratory of Materials-Oriented Chemical Engineering, Nanjing Tech University.
College of Chemical Engineering, State Key Laboratory of Materials-Oriented Chemical Engineering, Nanjing Tech University.
Luleå tekniska universitet, Institutionen för teknikvetenskap och matematik, Maskinelement.ORCID-id: 0000-0001-6085-7880
College of Chemical Engineering, State Key Laboratory of Materials-Oriented Chemical Engineering, Nanjing Tech University.
Visa övriga samt affilieringar
Antal upphovsmän: 62016 (Engelska)Ingår i: Journal of Chemical and Engineering Data, ISSN 0021-9568, E-ISSN 1520-5134, Vol. 61, nr 12, s. 4023-4030Artikel i tidskrift (Refereegranskat) Published
Abstract [en]

Titanium (Ti) metal has been widely used in orthopedic implants, such as knee replacements and fracture fixation devices, where water is the base fluid of the lubricant. In this work, a series of nonequilibrium molecular dynamics have been carried out to investigate the microstructure and lubrication of water molecules confined in TiO2 nanoslits under shearing. The effects of varying slit gap widths (0.8, 1.2, 1.6, and 2.0 nm) and shear velocities (200, 100, 50, and 10 m/s) on the friction coefficients between TiO2 and water molecules were evaluated to shed light on the role of the confined water molecules on lubrication. Simulation results showed that the friction coefficient decreased as the slit width increased. Detailed analysis of water molecules microstructure revealed that water molecules confined in the slits were layered. Typically, all the water molecules in Layer 1 and some water molecules in Layer 2 could reach the sliding velocity of the wall, which were in agreement with the reported mobility of water molecules absorbed on TiO2 nanoparticles via nuclear magnetic resonance. As the width of slit gap increased, the average lifetime of the H-bonds between water molecules within and beyond Layer 1 reduced and the amount of free water increased accordingly, which caused a decrease in the friction coefficient. This understanding can be used to explain at the molecular scale the observation in our previous atomic force microscope experiment in which the higher roughness in TiO2 reflected a lower friction coefficient. 

Ort, förlag, år, upplaga, sidor
2016. Vol. 61, nr 12, s. 4023-4030
Nationell ämneskategori
Tribologi (ytteknik omfattande friktion, nötning och smörjning)
Forskningsämne
Maskinelement
Identifikatorer
URN: urn:nbn:se:ltu:diva-59645DOI: 10.1021/acs.jced.6b00534ISI: 000389623400009OAI: oai:DiVA.org:ltu-59645DiVA, id: diva2:1034043
Anmärkning

Validerad; 2017; Nivå 2; 2017-01-10 (andbra)

Tillgänglig från: 2016-10-11 Skapad: 2016-10-11 Senast uppdaterad: 2018-07-10Bibliografiskt granskad

Open Access i DiVA

Fulltext saknas i DiVA

Övriga länkar

Förlagets fulltext

Personposter BETA

Shi, Yijun

Sök vidare i DiVA

Av författaren/redaktören
Shi, Yijun
Av organisationen
Maskinelement
I samma tidskrift
Journal of Chemical and Engineering Data
Tribologi (ytteknik omfattande friktion, nötning och smörjning)

Sök vidare utanför DiVA

GoogleGoogle Scholar

doi
urn-nbn

Altmetricpoäng

doi
urn-nbn
Totalt: 64 träffar
RefereraExporteraLänk till posten
Permanent länk

Direktlänk
Referera
Referensformat
  • apa
  • harvard1
  • ieee
  • modern-language-association-8th-edition
  • vancouver
  • Annat format
Fler format
Språk
  • de-DE
  • en-GB
  • en-US
  • fi-FI
  • nn-NO
  • nn-NB
  • sv-SE
  • Annat språk
Fler språk
Utmatningsformat
  • html
  • text
  • asciidoc
  • rtf