Modelling the local atomic structure of molybdenum in nuclear waste glasses with ab initio molecular dynamics simulations

First-principles study of a sodium borosilicate glass-former. II. The glass state

(2015) Laurent Pedesseau et al.   PHYSICAL REVIEW B

Ab initio molecular dynamics simulations of structural changes associated with the incorporation of fluorine in bioactive phosphate glasses

(2014) Jamieson K. Christie et al.   BIOMATERIALS

Mechanisms of boron coordination change between borosilicate glasses and melts

(2013) F. Michel et al.   JOURNAL OF NON-CRYSTALLINE SOLIDS

Fluorine Environment in Bioactive Glasses:ab InitioMolecular Dynamics Simulations

(2011) Jamieson K. Christie et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Short-Range Structure of Yttrium Alumino-Silicate Glass for Cancer Radiotherapy: Car-Parrinello Molecular Dynamics Simulations

(2010) Jamieson K. Christie et al.   ADVANCED ENGINEERING MATERIALS

Sodium migration pathways in multicomponent silicate glasses: Car–Parrinello molecular dynamics simulations

(2010) Antonio Tilocca   JOURNAL OF CHEMICAL PHYSICS

Composition-Structure Relationships in Simplified Nuclear Waste Glasses: 1. Mixed Alkali Borosilicate Glasses

(2010) Andrew J. Connelly et al.   JOURNAL OF THE AMERICAN CERAMIC SOCIETY

Structural investigations of borosilicate glasses containing MoO3 by MAS NMR and Raman spectroscopies

(2009) D. Caurant et al.   JOURNAL OF NUCLEAR MATERIALS

First-principles calculations of structural changes inB2O3glass under pressure

(2008) K. Trachenko et al.   PHYSICAL REVIEW B