scholarly journals 3D Simulation of Point Defect Migration in Ferroelectrics

PAMM ◽  
2006 ◽  
Vol 6 (1) ◽  
pp. 439-440
Author(s):  
Oliver Goy ◽  
Ralf Mueller ◽  
Dietmar Gross
Keyword(s):  
Point Defect ◽  
3D Simulation ◽  
Defect Migration

Vacancy Migration Barrier Energetics and Pathways in Silica

1998 ◽  
Vol 538 ◽  
Author(s):  
L. R. Corrales ◽  
R.M. Van Ginhoven ◽  
J. Song ◽  
H. Jónsson
Keyword(s):  
Point Defect ◽  
Defect Formation ◽  
Vacancy Defect ◽  
Elastic Band ◽  
Simulation Methodology ◽  
Defect Migration ◽  
Migration Pathway ◽  
Empirical Potentials ◽  
Band Method ◽  
Migration Pathways

AbstractA study of vacancy defect migration pathways and energetics in a-quartz is carried out using an empirical simulation methodology that is coupled with the nudged elastic band method. Results from this study indicate that the migration pathway for migration is between adjacent sites. We anticipate the results will guide modifications to empirical potentials for use in the study of point defect formation of more complex systems.

Room Temperature Point Defect Migration in Crystalline Si

2001 ◽  
Vol 82-84 ◽  
pp. 207-212 ◽  
Author(s):  
Sebania Libertino ◽  
Salvatore Coffa
Keyword(s):  
Point Defect ◽  
Room Temperature ◽  
Defect Migration

MIGRATION ENTHALPY OF THERMAL VACANCIES BY POSITRON SPECTROSCOPY

2005 ◽  
Vol 12 (04) ◽  
pp. 493-498
Author(s):  
EMAD A. BADAWI
Keyword(s):  
Point Defect ◽  
Positron Annihilation Lifetime ◽  
Defect Migration ◽  
Positron Spectroscopy ◽  
Vacancy Site ◽  
Al Mg Alloys ◽  
Migration Enthalpy ◽  
Sensitive Method ◽  
Enthalpy Data

The trapping of positrons at vacancy site in some materials provide a new and sensitive method for the equilibrium determination of point defect migration enthalpy. Data are presented for commercial Al–Mg alloys and fitted to a model allowing presentation in the form of Arrhenius plots, hence the migration enthalpy [Formula: see text] can be determined by positron annihilation lifetime technique (PALT). The results show that as the concentration of Mg increases the value of [Formula: see text] increases too.

Cyclic Slip Localization and Crack Initiation in Crystalline Materials

2014 ◽  
Vol 891-892 ◽  
pp. 452-457 ◽  
Author(s):  
Jaroslav Polák ◽  
Jiří Man
Keyword(s):  
Point Defect ◽  
Defect Formation ◽  
Fatigue Cracks ◽  
Extended Model ◽  
Crystalline Materials ◽  
Defect Migration ◽  
Persistent Slip Bands ◽  
Dislocation Interactions ◽  
Relief Formation ◽  
Cyclic Slip

Cyclic plastic straining in crystalline materials is localized to persistent slip bands (PSBs) and results in formation of persistent slip markings (PSMs) consisting of extrusions and intrusions. Intensive plastic strain in PSBs results in dislocation interactions and formation of point defects. The extended model based on point defect formation, migration and annihilation is presented describing surface relief formation in the form of extrusion-intrusion pairs. Point defect migration and resulting mass transfer is the principle source of cyclic slip irreversibility leading to crack-like defects - intrusions. Fatigue cracks start in the tip of sharp intrusions.

Modelling of point defect migration in proton conducting ceramics

1997 ◽  
Vol 97 (1-4) ◽  
pp. 51-58 ◽  
Author(s):  
J.B. Condon ◽  
T. Schober
Keyword(s):  
Point Defect ◽  
Proton Conducting ◽  
Defect Migration
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