Solute Interaction in Grain Boundary Segregation and Cohesion

2013 ◽  
Vol 592-593 ◽  
pp. 389-392
Author(s):  
Pavel Lejček
Keyword(s):  
Ternary System ◽  
Grain Boundary ◽  
Boundary Segregation ◽  
Ternary Systems ◽  
Grain Boundary Segregation ◽  
Binary Interaction ◽  
Intergranular Embrittlement ◽  
Solute Interaction ◽  
Interfacial Segregation ◽  
Binary And Ternary Systems

Effect of solute interaction on interfacial segregation and grain boundary cohesion is modeled on basis of combined Guttmann and Rice-Wang approaches in binary and ternary systems. It is shown that attractiveIIbinary interaction strengthens interfacial segregation and enhances intergranular embrittlement while repulsion exhibits an opposite effects. In a ternary system the segregation is suppressed by theIJattraction while increased by the repulsion. The effect of the binary interaction is generally stronger compared to the ternary one.

scholarly journals Atomistic Assessment of Solute-Solute Interactions during Grain Boundary Segregation

Nanomaterials ◽  
2021 ◽  
Vol 11 (9) ◽  
pp. 2360
Author(s):  
Thomas P. Matson ◽  
Christopher A. Schuh
Keyword(s):  
Grain Boundary ◽  
Interatomic Potential ◽  
Boundary Segregation ◽  
Grain Boundary Segregation ◽  
Interaction Energies ◽  
Solute Interaction ◽  
Solute Interactions ◽  
Dilute Limit ◽  
Strong Agreement

Grain boundary solute segregation is becoming increasingly common as a means of stabilizing nanocrystalline alloys. Thermodynamic models for grain boundary segregation have recently revealed the need for spectral information, i.e., the full distribution of environments available at the grain boundary during segregation, in order to capture the essential physics of the problem for complex systems like nanocrystalline materials. However, there has been only one proposed method of extending spectral segregation models beyond the dilute limit, and it is based on simple, fitted parameters that are not atomistically informed. In this work, we present a physically motived atomistic method to measure the full distribution of solute-solute interaction energies at the grain boundaries in a polycrystalline environment. We then cast the results into a simple thermodynamic model, analyze the Al(Mg) system as a case study, and demonstrate strong agreement with physically rigorous hybrid Monte Carlo/molecular statics simulations. This approach provides a means of rapidly measuring key interactions for non-dilute grain boundary segregation for any system with an interatomic potential.

Interfacial Segregation in Bicrystals: A Database for Grain Boundary Design of Polycrystals

1996 ◽  
Vol 458 ◽  
Author(s):  
Pavel Lejček
Keyword(s):  
Grain Boundary ◽  
Grain Boundaries ◽  
Boundary Segregation ◽  
The Other ◽  
Grain Boundary Segregation ◽  
Mean Values ◽  
Single Grain ◽  
The Mean ◽  
Interfacial Segregation ◽  
Boundary Site

ABSTRACTPhysical meaning of thermodynamic parameters of segregation obtained from measurements of chemical composition of grain boundaries in poly crystals and bi crystals, and calculated for individual grain boundary sites is discussed. It is shown that the mean values of these parameters determined from the measurements on polycrystals can in exceptional cases represent the behavior of general grain boundaries. On the other hand, measurements of grain boundary segregation at individual grain boundaries can provide the values of segregation enthalpies and entropies representing behavior of a specific single grain boundary site. The latter data are appropriate for the use in the grain boundary design concept.

Solute interaction effects on grain boundary segregation in ternary alloys

2018 ◽  
Vol 161 ◽  
pp. 285-294 ◽  
Author(s):  
Wenting Xing ◽  
Arvind R. Kalidindi ◽  
Dor Amram ◽  
Christopher A. Schuh
Keyword(s):  
Grain Boundary ◽  
Boundary Segregation ◽  
Interaction Effects ◽  
Ternary Alloys ◽  
Grain Boundary Segregation ◽  
Solute Interaction
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