Structural models of bioactive glasses from molecular dynamics simulations
A Tilocca - Proceedings of the Royal Society A …, 2009 - royalsocietypublishing.org
The bioactive mechanism, by which living tissues attach to and integrate with an artificial
implant through stable chemical bonds, is at the core of many current medical applications of …
implant through stable chemical bonds, is at the core of many current medical applications of …
Models of structure, dynamics and reactivity of bioglasses: a review
A Tilocca - Journal of Materials Chemistry, 2010 - pubs.rsc.org
Due to their high biocompatibility and osteoconductivity, bioactive silicate glasses are the
core components of biomaterials used to repair, restore and regenerate bone and tissues in …
core components of biomaterials used to repair, restore and regenerate bone and tissues in …
Structural phase transitions on the nanoscale: The crucial pattern in the phase-change materials and GeTe
Phase-change materials are of immense importance for optical recording and computer
memory, but the structure of the amorphous phases and the nature of the phase transition in …
memory, but the structure of the amorphous phases and the nature of the phase transition in …
Structure, topology, rings, and vibrational and electronic properties of GeSe glasses across the rigidity transition: A numerical study
The structural, electronic, and vibrational properties of glassy Ge x Se 1− x are studied using
density-functional-based molecular dynamics. The focus is on four compositions (x= 10 …
density-functional-based molecular dynamics. The focus is on four compositions (x= 10 …
Structure of liquids and glasses in the Ge–Se binary system
PS Salmon - Journal of Non-Crystalline Solids, 2007 - Elsevier
A summary is given of the partial structure factors that have been measured for liquids and
glasses in the Ge–Se binary system by using diffraction methods. Information is presented …
glasses in the Ge–Se binary system by using diffraction methods. Information is presented …
Angular rigidity in tetrahedral network glasses with changing composition
A set of oxide and chalcogenide tetrahedral glasses is investigated using molecular
dynamics simulations. We show that the changes in the Ge composition affect mostly …
dynamics simulations. We show that the changes in the Ge composition affect mostly …
Fluorine Environment in Bioactive Glasses: ab Initio Molecular Dynamics Simulations
Fluorinated bioactive glasses (FBGs) combine the antibacterial properties of fluorine with the
biological activity of phosphosilicate glasses. Because their biomedical application depends …
biological activity of phosphosilicate glasses. Because their biomedical application depends …
Medium-range structure of vitreous obtained through first-principles investigation of vibrational spectra
Using a density-functional framework, we investigate the vibrational spectra of vitreous SiO 2
to determine to what extent these spectra provide information about the medium-range …
to determine to what extent these spectra provide information about the medium-range …
Bimodal phase percolation model for the structure of Ge-Se glasses and the existence of the intermediate phase
A detailed nuclear magnetic resonance and Raman study of Ge x Se 1− x glasses indicate
that the glass structure is composed of intertwined microdomains of GeSe 2 and Se n. Static …
that the glass structure is composed of intertwined microdomains of GeSe 2 and Se n. Static …
Bulk Glassy GeTe2: A Missing Member of the Tetrahedral GeX2 Family and a Precursor for the Next Generation of Phase-Change Materials
Vitreous germanium disulfide GeS2 and diselenide GeSe2 belong to canonical
chalcogenide glasses extensively studied over the past half century. Their high-temperature …
chalcogenide glasses extensively studied over the past half century. Their high-temperature …