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Novo enfoque no estudo da transição de fase composicional da solução sólida ferroelétrica (Pb,Ca)TiO3
(Universidade Federal de São Carlos, 2006-11-13)
Ferroelectric materials have a vast application in modern industry as data storage devices. Some of this materials, as the ferroelectric oxides class ABO3, have phase transitions with the alteration of of the lattice ...
Termodinâmica de líquidos iônicos via simulação computacional.
(Universidade Federal de São Carlos, 2006-10-04)
In this work classical molecular dynamics was used to study the pure ionic liquid 1-butyl-3-methylimidazolium tetrafluoroborate, [BMIM]+[BF4]-, and some solutions based in it. The OPLS-AA force field and CHelpG derived ...