7th IMRMPT

First slide

First slide

Abstract

Abstract information

English title:	Extension of new simple material model to additional space groups
Spanish title:	Extensi�n del nuevo modelo de material simple a grupos espaciales adicionales
English abstract:	The new simple material model, as developed for perovskites, has been shown to provide a significant improvement over Goldschmidt's tolerance formalism for predicting whether or not a perovskite will form. Additionally, the new simple material model was shown to provide significant improvement in determining lattice parameters and volume as well as shown to provide temperature-dependent structural phase transitions, Mossotti - Lorenz - Lorentz - Clausius polarization, and structural constraint-induced. The new simple material model is extended to some other cubic crystal structure systems and is compared with experimental data.
Spanish abstract:	Se ha demostrado que el nuevo modelo de material simple desarrollado para perovskitas proporciona una mejora significativa sobre el formalismo de tolerancia de Goldschmidt para predecir si se formar� o no una perovskita. Adem�s, se demostr� que el nuevo modelo de material simple proporciona una mejora significativa en la determinaci�n de los par�metros y el volumen de la red, as� como que proporciona transiciones de fase estructurales dependientes de la temperatura, la polarizaci�n de Mossotti - Lorenz - Lorentz - Clausius y la restricci�n estructural inducida. El nuevo modelo de material simple is extended to some other cubic crystal structure systems and is compared with experimental data.
Topic:
Presentation Type:
Speaker:

Authors

Name	Institution	Email
Steven Tidrow	New York State College of Ceramics at Alfred University	tidrow@alfred.edu

Presentation

Room:	Principal Room
Date:	August 8, 2024
Hour:	10:00 - 10:30

Back

VI WMSSE

VI Workshop on Modeling and Simulation for Science and Engineering

Contact information:

   info@foristom.org
   @FORISTOMFound
   FORISTOMFoundation
   foristomfoundation

Copyright 2024 FORISTOM
All rights reserved

Previous editions:

I WMSSE
II WMSSE
III WMSSE
IV WMSSE
V WMSSE