%0 Journal Article %1 WOS:000249883000015 %A Carvalho, E F V %A Diniz, E M %A Paschoal, C W A %C PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS %D 2007 %I ELSEVIER SCIENCE BV %J COMPUTATIONAL MATERIALS SCIENCE %K atomistic phase simulation; transition} {Ba2BiTaO6; %N 3 %P 417-420 %R 10.1016/j.commatsci.2007.01.020 %T Behavior of the elastic and mechanical properties of Ba2BiTaO6 compound under pressure changes %V 40 %X In this work we have employed atomistic simulation to model some mechanical and elastic properties of the Ba2BiTaO6 compound under pressure changes. For this, we have assumed an interionic pairwise potential data that fit well the compound structure at room pressure and temperature. The potential is very sensitive to the structural phase transition induced by the hydrostatic pressure that this compound undergoes at around 4 GPa. (C) 2007 Elsevier B.V. All rights reserved.

@article{WOS:000249883000015, abstract = {In this work we have employed atomistic simulation to model some mechanical and elastic properties of the Ba2BiTaO6 compound under pressure changes. For this, we have assumed an interionic pairwise potential data that fit well the compound structure at room pressure and temperature. The potential is very sensitive to the structural phase transition induced by the hydrostatic pressure that this compound undergoes at around 4 GPa. (C) 2007 Elsevier B.V. All rights reserved.}, added-at = {2022-05-23T20:00:14.000+0200}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, author = {Carvalho, E F V and Diniz, E M and Paschoal, C W A}, biburl = {https://www.bibsonomy.org/bibtex/2a4e147624b205095fecec82d7ebd3bc5/ppgfis_ufc_br}, doi = {10.1016/j.commatsci.2007.01.020}, interhash = {44d5eb4c9c654ce02469794a82f444db}, intrahash = {a4e147624b205095fecec82d7ebd3bc5}, issn = {0927-0256}, journal = {COMPUTATIONAL MATERIALS SCIENCE}, keywords = {atomistic phase simulation; transition} {Ba2BiTaO6;}, number = 3, pages = {417-420}, publisher = {ELSEVIER SCIENCE BV}, pubstate = {published}, timestamp = {2022-05-23T20:00:14.000+0200}, title = {Behavior of the elastic and mechanical properties of Ba2BiTaO6 compound under pressure changes}, tppubtype = {article}, volume = 40, year = 2007 }