Zanotto, Edgar D.
Mauro, John C.
Número total de Autores: 3
Afiliação do(s) autor(es):
 Fed Univ Sao Carlos UFSCar, Dept Mat Engn DEMa, Ctr Res Technol & Educ Vitreous Mat CeRTEV, Sao Carlos, SP - Brazil
 Penn State Univ, Dept Mat Sci & Engn, University Pk, PA 16802 - USA
Número total de Afiliações: 2
Tipo de documento:
Artigo de Revisão
INTERNATIONAL MATERIALS REVIEWS;
Citações Web of Science:
Research in bioactive glasses (BGs) has traditionally been performed through trial-and-error experimentation. However, several modelling techniques will accelerate the discovery of new BGs as part of the ongoing endeavour to `decode the glass genome.' Here, we critically review recent publications applying molecular dynamics simulations, machine learning approaches, and other modelling techniques for understanding BGs. We argue that modelling should be utilised more frequently in the design of BGs to achieve properties such as high bioactivity, high fracture strength and toughness, low density, and controlled morphology. Another challenge is modelling the biological response to biomaterials, such as their ability to foster protein adsorption, cell adhesion, cell proliferation, osteogenesis, angiogenesis, and bactericidal effects. The development of databases integrated with robust computational tools will be indispensable to these efforts. Future challenges are thus envisaged in which the compositional design, synthesis, characterisation, and application of BGs can be greatly accelerated by computational modelling. (AU)