scholarly journals Point defect dynamics in bcc metals

2005 ◽  
Vol 71 (6) ◽  
Author(s):  
Jörg Rottler ◽  
David J. Srolovitz ◽  
Roberto Car
Keyword(s):  
Point Defect ◽  
Bcc Metals ◽  
Point Defect Dynamics

Calculation of Atom Configuration and Characteristic of Vacancy in bcc Lattice of α-Fe

2006 ◽  
Vol 249 ◽  
pp. 55-60 ◽  
Author(s):  
Irina Valikova ◽  
Andrei V. Nazarov ◽  
Alexandr A. Mikheev
Keyword(s):  
Fine Structure ◽  
Point Defect ◽  
Atomic Structure ◽  
External Pressure ◽  
Static Method ◽  
Elastic Continuum ◽  
Bcc Metals ◽  
Bcc Lattice ◽  
And Migration ◽  
Atom Configuration

This work is devoted to the simulation of atom configurations in bcc metals near the point defect using the molecular static method. The values of migration and formation volumes are very sensitive to the atomic structure in the vicinity of a defect, which makes it necessary to consider a large number of atoms in the computation cell and to take into account an elastic matrix around the cell. We have developed the new model taking into consideration these factors. It allows defining the “fine structure” of displacement atoms near the point defect. The atoms of third zone were embedded in an elastic continuum. The displacement of each atom embedded in an elastic continuum was defined as the first and the second terms in solution of elastic equation. In the framework of this model we calculated the formation and migration energies and volumes of defect. Also we take into consideration that the energy of system (in particular the system with defect) depends on the external pressure. This dependence gives an addition to the values of migration and formation volumes.

Abrasion Modeling of Multiple-Point Defect Dynamics for Machine Condition Monitoring

2013 ◽  
Vol 62 (1) ◽  
pp. 171-182 ◽  
Author(s):  
M. F. Yaqub ◽  
Iqbal Gondal ◽  
Joarder Kamruzzaman ◽  
Kenneth A. Loparo
Keyword(s):  
Point Defect ◽  
Condition Monitoring ◽  
Multiple Point ◽  
Machine Condition ◽  
Machine Condition Monitoring ◽  
Point Defect Dynamics

Monitoring of chemical reactions and point defect dynamics in sodium alanates

2006 ◽  
Vol 442 (1-2) ◽  
pp. 75-78 ◽  
Author(s):  
O. Palumbo ◽  
A. Paolone ◽  
R. Cantelli ◽  
C.M. Jensen ◽  
R. Ayabe
Keyword(s):  
Point Defect ◽  
Chemical Reactions ◽  
Point Defect Dynamics ◽  
Sodium Alanates

Laser spectroscopic measurement of point-defect dynamics inEu3+:CaF2

1990 ◽  
Vol 41 (15) ◽  
pp. 10799-10807 ◽  
Author(s):  
Kathleen M. Cirillo-Penn ◽  
John C. Wright
Keyword(s):  
Point Defect ◽  
Spectroscopic Measurement ◽  
Point Defect Dynamics ◽  
Laser Spectroscopic
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