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**Harvard**

Karlsson, M., Schuch, M., Christensen, R., Maass, P., Martin, S., Imberti, S. och Matic, A. (2015) *Structural Origin of the Mixed Glass Former Effect in Sodium Borophosphate Glasses Investigated with Neutron Diffraction and Reverse Monte Carlo Modeling*.

** BibTeX **

@article{

Karlsson2015,

author={Karlsson, Maths and Schuch, M. and Christensen, R. and Maass, P. and Martin, S. W. and Imberti, S. and Matic, Aleksandar},

title={Structural Origin of the Mixed Glass Former Effect in Sodium Borophosphate Glasses Investigated with Neutron Diffraction and Reverse Monte Carlo Modeling},

journal={Journal of Physical Chemistry C},

issn={1932-7447},

volume={119},

issue={49},

pages={27275-27284},

abstract={The mixed glass former systems 0.35Na(2)O + 0.65[xB(2)O(3) + (1 - x)P2O5] and 0.5Na(2)O + 0.5[xB(2)O(3) + (1 - x)P2O5] with x = 0-1 were investigated with neutron diffraction (ND) together with reverse Monte Carlo (RMC) modeling of 0.35Na(2)O + 0.65[xB(2)O(3) + (1 - x)P2O5]. The results show that the structure of both systems is reflected by an intermediate-range ordering, with a characteristic x-dependent length scale of about 4-6 angstrom and which contracts slightly with the increase of the Na concentration. Results obtained from RMC modeling of the 0.35Na(2)O + 0.65[xB(2)O(3) + (1 - x)P2O5] system, using both previously reported X-ray diffraction (XRD) data as well as the here obtained ND data as independent constraints in the modeling, show that the intermediate-range structural features, notably the Na coordination and volume fraction of the conducting pathways, are only weakly dependent on the choice of the constraints used. In particular, we observe that the volume fraction of the conducting pathways and the activation energy for ionic conduction are only weakly correlated to each other, as opposed to what is found for binary alkali borate and phosphate glasses.},

year={2015},

}

** RefWorks **

RT Journal Article

SR Electronic

ID 230373

A1 Karlsson, Maths

A1 Schuch, M.

A1 Christensen, R.

A1 Maass, P.

A1 Martin, S. W.

A1 Imberti, S.

A1 Matic, Aleksandar

T1 Structural Origin of the Mixed Glass Former Effect in Sodium Borophosphate Glasses Investigated with Neutron Diffraction and Reverse Monte Carlo Modeling

YR 2015

JF Journal of Physical Chemistry C

SN 1932-7447

VO 119

IS 49

SP 27275

OP 27284

AB The mixed glass former systems 0.35Na(2)O + 0.65[xB(2)O(3) + (1 - x)P2O5] and 0.5Na(2)O + 0.5[xB(2)O(3) + (1 - x)P2O5] with x = 0-1 were investigated with neutron diffraction (ND) together with reverse Monte Carlo (RMC) modeling of 0.35Na(2)O + 0.65[xB(2)O(3) + (1 - x)P2O5]. The results show that the structure of both systems is reflected by an intermediate-range ordering, with a characteristic x-dependent length scale of about 4-6 angstrom and which contracts slightly with the increase of the Na concentration. Results obtained from RMC modeling of the 0.35Na(2)O + 0.65[xB(2)O(3) + (1 - x)P2O5] system, using both previously reported X-ray diffraction (XRD) data as well as the here obtained ND data as independent constraints in the modeling, show that the intermediate-range structural features, notably the Na coordination and volume fraction of the conducting pathways, are only weakly dependent on the choice of the constraints used. In particular, we observe that the volume fraction of the conducting pathways and the activation energy for ionic conduction are only weakly correlated to each other, as opposed to what is found for binary alkali borate and phosphate glasses.

LA eng

DO 10.1021/acs.jpcc.5b09176

LK http://dx.doi.org/10.1021/acs.jpcc.5b09176

OL 30