Bioactive glasses incorporating less-common ions to improve biological and physical properties

U Pantulap, M Arango-Ospina… - Journal of Materials …, 2022 - Springer
Bioactive glasses (BGs) have been a focus of research for over five decades for several
biomedical applications. Although their use in bone substitution and bone tissue …

[HTML][HTML] Interatomic potentials for oxide glasses: Past, present, and future

A Pedone, M Bertani, L Brugnoli, A Pallini - Journal of Non-Crystalline …, 2022 - Elsevier
The continuous development and improvement of interatomic potential models for oxide
glasses have made classical molecular dynamics a powerful computational technique …

Optical linear & nonlinearity and Faraday rotation study on V2O5 nanorod doped glass and glass-ceramic: impact of optical basicity

Q Chen - Journal of Alloys and Compounds, 2020 - Elsevier
Different valence states and coordination units of vanadium in low optical basicity glasses
have been extensively studied for conduction, photoluminescence and catalysis …

Unravelling the conductivity behaviour of thermally stable Li2O–Bi2O3–B2O3–P2O5 glasses embedded with V2O5

A Madhu, NS Abd EL-Gawaad, SAO Abdallah… - Ceramics …, 2023 - Elsevier
Solid state batteries are becoming more in demand owing to the advancement of EV
technology. However, use of liquid electrolytes has become problematic due to their …

Boron and pentavalent vanadium local environments in binary vanadium borate glasses

N Laorodphan, P Pooddee, P Kidkhunthod… - Journal of Non …, 2016 - Elsevier
Vanadium borate glasses containing 5 to 25% mol vanadium oxide (V 2 O 5) were
investigated. Prepared via the melt-quench technique, these glasses were examined by …

Improved empirical force field for multicomponent oxide glasses and crystals

M Bertani, MC Menziani, A Pedone - Physical Review Materials, 2021 - APS
In this paper, the self-consistent PMMCS force fields (FFs)[Pedone et al., J. Phys. Chem. B
110, 11780 (2006) 10.1021/jp0611018] widely used for the simulation of a large variety of …

The structure of fluoride-containing bioactive glasses: new insights from first-principles calculations and solid state NMR spectroscopy

A Pedone, T Charpentier, MC Menziani - Journal of Materials …, 2012 - pubs.rsc.org
Fluoride-containing bioactive glasses are attracting particular interest in many fields of
dentistry and orthopedics because they combine the bone-bonding ability of bioactive …

Study of the structural role of gallium and aluminum in 45S5 bioactive glasses by molecular dynamics simulations

G Malavasi, A Pedone… - The Journal of Physical …, 2013 - ACS Publications
The structural properties of phosphosilicate glasses based on the 45S5 Bioglass doped with
gallium and aluminum (46.2 SiO2· 24.3 Na2O· 26.9 CaO· 2.6 P2O5· 1.0 X2O3, X= Ga or Al) …

Molecular dynamics simulation of amorphous HfO2 for resistive RAM applications

G Broglia, G Ori, L Larcher… - Modelling and Simulation …, 2014 - iopscience.iop.org
HfO 2 is widely investigated as the favoured material for resistive RAM device
implementation. The structural features of HfO 2 play a fundamental role in the switching …

Vanadium oxidation states and structural role in aluminoborosilicate glasses: an integrated experimental and molecular dynamics simulation study

X Lu, L Deng, SA Saslow, H Liu… - The Journal of …, 2021 - ACS Publications
Vanadium-containing glasses have aroused interest in several fields such as electrodes for
energy storage, semiconducting glasses, and nuclear waste disposal. The addition of V2O5 …