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  • 1
    Electronic Resource
    Electronic Resource
    Alkali-Modified Titanium Surface Stimulating Formation of Bone-Implant Interface (2007)
    s.l. ; Stafa-Zurich, Switzerland
    Key engineering materials Vol. 361-363 (Nov. 2007), p. 749-752 
    Details
    ISSN: 1013-9826
    Source: Scientific.Net: Materials Science & Technology / Trans Tech Publications Archiv 1984-2008
    Topics: Mechanical Engineering, Materials Science, Production Engineering, Mining and Metallurgy, Traffic Engineering, Precision Mechanics
    Notes: This study was carried out to assess the bone response to alkali-modified titaniumimplant surface (Bio surface), using histomorphometric investigation on an animal model. Themean net contribution of the Bio surface to the increase in bone implant contact (BIC) withreference to the turned, machined surface was evaluated at 7.94 % (BIC/week), within the first fiveweeks of healing. The contribution was expressed as the difference in the osseointegration rates ([removed info]BIC/[removed info]'healing time) between the implants with alkali modified surface (Bio surface) and those withturned, machined surface. The surface characteristics that differed between the implant surfaces, i.e.surface morphology, specific surface area, contact angle, hydroxylation/hydration, may representfactors that influence the rate of osseointegration
    Type of Medium: Electronic Resource
    URL: http://www.tib-hannover.de/fulltexts/2011/0528/01/56/transtech_doi~10.4028%252Fwww.scientific.net%252FKEM.361-363.749.pdf
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  • 2
    Electronic Resource
    Electronic Resource
    Structural Changes in Alkali Depleted Alkali-Silicate Glass – MD Study (2008)
    s.l. ; Stafa-Zurich, Switzerland
    Advanced materials research Vol. 39-40 (Apr. 2008), p. 65-68 
    Details
    ISSN: 1662-8985
    Source: Scientific.Net: Materials Science & Technology / Trans Tech Publications Archiv 1984-2008
    Topics: Mechanical Engineering, Materials Science, Production Engineering, Mining and Metallurgy, Traffic Engineering, Precision Mechanics
    Notes: Alkali-silicate glass irradiated with electrons of the medium energy becomes to be fullydepleted of alkali ions after some time. The chemical changes are expected to be accompanied withsignificant changes of glass structure. The changes in structure of 15K2O•85SiO2 glass weresimulated by ab-initio MD. Experimental conditions were imitated by the following procedure.First, glass was prepared by the numerical cooling from the high-temperature melt. Second, alkaliions were removed. Third, silica structure was relaxed at temperatures 300 K and 1000 K. Structuralchanges are characterized in terms PP RDF’s and coordination numbers. It was found peroxidebonds were created from the dangling bonds, coming from non-bridging oxygen
    Type of Medium: Electronic Resource
    URL: http://www.tib-hannover.de/fulltexts/2011/0528/01/40/transtech_doi~10.4028%252Fwww.scientific.net%252FAMR.39-40.65.pdf
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    Paper (German National Licenses)
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  • 3
    Electronic Resource
    Electronic Resource
    First Principles Molecular Simulations of Soda-Lime-Silica Glass (2008)
    s.l. ; Stafa-Zurich, Switzerland
    Advanced materials research Vol. 39-40 (Apr. 2008), p. 85-88 
    Details
    ISSN: 1662-8985
    Source: Scientific.Net: Materials Science & Technology / Trans Tech Publications Archiv 1984-2008
    Topics: Mechanical Engineering, Materials Science, Production Engineering, Mining and Metallurgy, Traffic Engineering, Precision Mechanics
    Notes: This work aims to explore possible applications of the ab initio molecular dynamics(MD) in modeling of the soda-lime-silica (NCS) glass and melt doped with admixtures. Preparationof the basic glass (15.8 wt.% Na2O, 10.5 wt.% CaO, and 73.7 wt.% SiO2) by the MD simulationfrom scratch is described. The structure analysis of the NCS glass is presented in the form of totaland partial radial distribution functions (RDF), coordination numbers, and fractions of Qn units. Thereasonable first neighbor distances were obtained, even if a rather small basis set of electronic wavefunctionsand softer pseudopotentials for atomic core regions were applied. All major discrepanciesin the first neighbor distances can be easily explained, and the results can be improved if needed.The Qn distribution shows higher disproportionation of Q3 than NMR and Raman experimentaldata, however, it is lower than previous classical MD simulations
    Type of Medium: Electronic Resource
    URL: http://www.tib-hannover.de/fulltexts/2011/0528/01/40/transtech_doi~10.4028%252Fwww.scientific.net%252FAMR.39-40.85.pdf
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  • 4
    Electronic Resource
    Electronic Resource
    The Yttria-Alumina Glasses - MD and TD Models (2008)
    s.l. ; Stafa-Zurich, Switzerland
    Advanced materials research Vol. 39-40 (Apr. 2008), p. 93-96 
    Details
    ISSN: 1662-8985
    Source: Scientific.Net: Materials Science & Technology / Trans Tech Publications Archiv 1984-2008
    Topics: Mechanical Engineering, Materials Science, Production Engineering, Mining and Metallurgy, Traffic Engineering, Precision Mechanics
    Notes: The ab-initio molecular dynamics (MD) calculations of the yttrium - aluminate binarysystem 23Y2O3·77Al2O3 were performed with help of the Vienna ab-initio simulation packageVASP. The thermodynamic model (TD) of glasses of the studied binary system was constructed.Both the Y/O and Al/O coordination numbers calculated from the partial pair radial distributionfunction (PP RDF) obtained for MD simulated melt at the temperature of 2500 K were significantlylower than the corresponding coordination numbers obtained from the TD model. The publishedneutron diffraction and X-ray diffraction studies give the results close to the results of the presentab-initio MD simulation. The TD model resulted in higher Al/O and Y/O coordination whencompared with experimental results
    Type of Medium: Electronic Resource
    URL: http://www.tib-hannover.de/fulltexts/2011/0528/01/40/transtech_doi~10.4028%252Fwww.scientific.net%252FAMR.39-40.93.pdf
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    Paper (German National Licenses)
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