Molecular dynamics simulations of the dynamics of ions in single and mixed alkali glasses

Journal of Non-Crystalline Solids ◽

10.1016/j.jnoncrysol.2004.08.146 ◽

2004 ◽

Vol 349 ◽

pp. 223-229 ◽

Author(s):

J. Habasaki ◽

K.L. Ngai ◽

Y. Hiwatari ◽

C.T. Moynihan

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulations ◽

Mixed Alkali ◽

Dynamics Simulations

Download Full-text

Contributions to the mixed-alkali effect in molecular dynamics simulations of alkali silicate glasses

Physical Review B ◽

10.1103/physrevb.72.214202 ◽

2005 ◽

Vol 72 (21) ◽

Author(s):

Heiko Lammert ◽

Andreas Heuer

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulations ◽

Silicate Glasses ◽

Mixed Alkali ◽

Alkali Silicate ◽

Mixed Alkali Effect ◽

Dynamics Simulations

Download Full-text

The Mixed Alkali Effect Examined by Molecular Dynamics Simulations

Topics in Applied Physics - Dynamics of Glassy, Crystalline and Liquid Ionic Conductors ◽

10.1007/978-3-319-42391-3_10 ◽

2016 ◽

pp. 459-481

Author(s):

Junko Habasaki ◽

Carlos León ◽

K. L. Ngai

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulations ◽

Mixed Alkali ◽

Mixed Alkali Effect ◽

Dynamics Simulations

Download Full-text

“Cooperativity blockage” in the mixed alkali effect as revealed by molecular-dynamics simulations of alkali metasilicate glass

The Journal of Chemical Physics ◽

10.1063/1.1759614 ◽

2004 ◽

Vol 121 (2) ◽

pp. 925-934 ◽

Author(s):

Junko Habasaki ◽

K. L. Ngai ◽

Yasuaki Hiwatari

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulations ◽

Mixed Alkali ◽

Mixed Alkali Effect ◽

Dynamics Simulations

Download Full-text

Molecular dynamics simulations of structural changes in mixed alkali (Li–K) silicate glasses

Journal of Non-Crystalline Solids ◽

10.1016/s0022-3093(99)00430-5 ◽

1999 ◽

Vol 255 (1) ◽

pp. 112-121 ◽

Author(s):

Byeongwon Park ◽

A.N Cormack

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulations ◽

Structural Changes ◽

Silicate Glasses ◽

Mixed Alkali ◽

Dynamics Simulations

Download Full-text

Structure of phosphorus-selenium glasses: results from ab initio molecular dynamics simulations

Molecular Physics ◽

10.1080/002689700162045 ◽

2000 ◽

Vol 98 (11) ◽

pp. 701-707

Author(s):

Alessandro Sergi, Mauro Ferrario, Francesco Bu

Keyword(s):

Molecular Dynamics ◽

Ab Initio ◽

Molecular Dynamics Simulations ◽

Ab Initio Molecular Dynamics ◽

Dynamics Simulations

Download Full-text

Tracer diffusion in perfectly aligned liquid crystalline phases Kinetic theory and molecular dynamics simulations

Molecular Physics ◽

10.1080/00268979709482789 ◽

1997 ◽

Vol 91 (6) ◽

pp. 993-1003 ◽

Author(s):

ANJALI KHARE ◽

DAVID KOFKE ◽

GLENN EVANS

Keyword(s):

Molecular Dynamics ◽

Kinetic Theory ◽

Molecular Dynamics Simulations ◽

Liquid Crystalline ◽

Tracer Diffusion ◽

Crystalline Phases ◽

Liquid Crystalline Phases ◽

Dynamics Simulations

Download Full-text

ERRATUM Molecular dynamics simulations of liquid crystal phases using atomistic potentials

Molecular Physics ◽

10.1080/002689798167430 ◽

1998 ◽

Vol 95 (1) ◽

pp. 121-121

Author(s):

CARL MCBRIDE MARK R. WILSON JUDITH A. K.

Keyword(s):

Molecular Dynamics ◽

Liquid Crystal ◽

Molecular Dynamics Simulations ◽

Crystal Phases ◽

Dynamics Simulations ◽

Liquid Crystal Phases

Download Full-text

Nonequilibrium Molecular Dynamics Simulations of 3-Methylhexane: The Effect of Inter- and Intramolecular Potential Models on Simulated Viscosity

The Journal of Physical Chemistry A ◽

10.1021/jp971476g ◽

1997 ◽

Vol 101 (27) ◽

pp. 5026-5026

Author(s):

Maija Lahtela ◽

Tapani A. Pakkanen ◽

Richard L. Rowley

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulations ◽

Nonequilibrium Molecular Dynamics ◽

Potential Models ◽

Dynamics Simulations

Download Full-text

Assessment of all-atom potentials for modeling membranes: molecular dynamics simulations of solid and liquid alkanes and crystals of phospholipid fragments

Journal de Chimie Physique ◽

10.1051/jcp/1997941482 ◽

1997 ◽

Vol 94 ◽

pp. 1482-1502 ◽

Author(s):

DJ Tobias ◽

K Tu ◽

ML Klein

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulations ◽

Dynamics Simulations ◽

Download Full-text

Molecular Dynamics Simulations of Retrograde Condensation in Nanoporous Shale

Proceedings of the 3rd Unconventional Resources Technology Conference ◽

10.15530/urtec-2015-2172738 ◽

2015 ◽

Author(s):

William R. Welch ◽

Mohammad Piri

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulations ◽

Retrograde Condensation ◽

Dynamics Simulations

Download Full-text