Understanding Physical Chemistry of BaxSr1-xTiO3 using ReaxFF Molecular Dynamics Simulations

2021 ◽  
Author(s):  
Dooman Akbarian ◽  
Nadire Nayir ◽  
Adri C. T. van Duin
Keyword(s):  
Physical Chemistry ◽  
Molecular Dynamics ◽  
Molecular Dynamics Simulations ◽  
Strontium Titanate ◽  
Barium Strontium Titanate ◽  
Ferroelectric Properties ◽  
Barium Strontium ◽  
Dynamics Simulations

Barium strontium titanate BaxSr1−xTiO3 (BSTO) has been widely used in nano devices due to its unique ferroelectric properties and can be epitaxially grown on SrTiO3 (STO) support, with a reduced...

Second inflection point of water surface tension in the deeply supercooled regime revealed by entropy anomaly and surface structure using molecular dynamics simulations

2019 ◽  
Vol 21 (6) ◽  
pp. 3360-3369 ◽  
Author(s):  
Xiaoxiang Wang ◽  
Kurt Binder ◽  
Chuchu Chen ◽  
Thomas Koop ◽  
Ulrich Pöschl ◽  
...  
Keyword(s):  
Physical Chemistry ◽  
Molecular Dynamics ◽  
Surface Tension ◽  
Molecular Dynamics Simulations ◽  
Surface Structure ◽  
Water Surface ◽  
Inflection Point ◽  
Supercooled Water ◽  
Atmospheric Sciences ◽  
Dynamics Simulations

The surface tension of supercooled water is of fundamental importance in physical chemistry and materials and atmospheric sciences.

Ferroelectric properties of barium strontium titanate thin films grown by RF co-sputtering

2005 ◽  
Vol 2 (10) ◽  
pp. 3673-3676 ◽  
Author(s):  
A. Zapata-Navarro ◽  
A. Márquez-Herrera ◽  
M. P. Cruz-Jáuregui ◽  
M. L. Calzada
Keyword(s):  
Thin Films ◽  
Strontium Titanate ◽  
Barium Strontium Titanate ◽  
Ferroelectric Properties ◽  
Barium Strontium
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