Effect of noble metal addition on the disorder dynamics of ni3al by means of monte carlo simulation

J. J. Ramos-Hernandez; C. D. Arrieta-Gonzalez; J. G. Chacon-Nava; E. Porcayo-Palafox; M. Sanchez-Carrillo; J. P. Flores-De Los Rios; G. K. Pedraza-Basulto; S. E. Diaz-Mendez; J. Porcayo-Calderon

doi:10.3390/ma13214832

Effect of noble metal addition on the disorder dynamics of ni₃al by means of monte carlo simulation

J. J. Ramos-Hernandez, C. D. Arrieta-Gonzalez, J. G. Chacon-Nava, E. Porcayo-Palafox, M. Sanchez-Carrillo, J. P. Flores-De Los Rios, G. K. Pedraza-Basulto, S. E. Diaz-Mendez, J. Porcayo-Calderon^*

^*Corresponding author for this work

Departamento de Ingeniería Química y Metalurgia

Research output: Contribution to journal › Article › peer-review

2 Scopus citations

Abstract

In this work, the effect of the addition of noble metals on the order–order disorder process of the L12 structure corresponding to the intermetallic Ni₃Al is analyzed. Stoichiometric, nonstoichiometric, and quasi-binary compositions doped with noble metals such as Ag, Au, Pd, and Pt (1 at%) were analyzed. It was observed that depending on the composition, there is a modification in the activation energies calculated from the two time constants that characterize the disorder process. The statistic of atomic jumps was typified based on the configuration of the window to be crossed and, with this, it was identified that the origin of the negative activation energy of the long disorder process is due to an increase in the corresponding energy of the Al_Al-Ni jump through unnatural windows.

Original language	English
Article number	4832
Pages (from-to)	1-16
Number of pages	16
Journal	Materials
Volume	13
Issue number	21
DOIs	https://doi.org/10.3390/ma13214832
State	Published - 1 Nov 2020

Bibliographical note

Publisher Copyright:
© 2020 by the authors. Licensee MDPI, Basel, Switzerland.

Keywords

Intermetallics
Monte Carlo simulation
Order/disorder transformation
Ordering energies
Pair correlation function
Site occupancy

Access to Document

10.3390/ma13214832

Cite this

Ramos-Hernandez, J. J., Arrieta-Gonzalez, C. D., Chacon-Nava, J. G., Porcayo-Palafox, E., Sanchez-Carrillo, M., Flores-De Los Rios, J. P., Pedraza-Basulto, G. K., Diaz-Mendez, S. E., & Porcayo-Calderon, J. (2020). Effect of noble metal addition on the disorder dynamics of ni₃al by means of monte carlo simulation. Materials, 13(21), 1-16. Article 4832. https://doi.org/10.3390/ma13214832

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title = "Effect of noble metal addition on the disorder dynamics of ni3al by means of monte carlo simulation",

abstract = "In this work, the effect of the addition of noble metals on the order–order disorder process of the L12 structure corresponding to the intermetallic Ni3Al is analyzed. Stoichiometric, nonstoichiometric, and quasi-binary compositions doped with noble metals such as Ag, Au, Pd, and Pt (1 at%) were analyzed. It was observed that depending on the composition, there is a modification in the activation energies calculated from the two time constants that characterize the disorder process. The statistic of atomic jumps was typified based on the configuration of the window to be crossed and, with this, it was identified that the origin of the negative activation energy of the long disorder process is due to an increase in the corresponding energy of the AlAl-Ni jump through unnatural windows.",

keywords = "Intermetallics, Monte Carlo simulation, Order/disorder transformation, Ordering energies, Pair correlation function, Site occupancy",

author = "Ramos-Hernandez, {J. J.} and Arrieta-Gonzalez, {C. D.} and Chacon-Nava, {J. G.} and E. Porcayo-Palafox and M. Sanchez-Carrillo and {Flores-De Los Rios}, {J. P.} and Pedraza-Basulto, {G. K.} and Diaz-Mendez, {S. E.} and J. Porcayo-Calderon",

note = "Publisher Copyright: {\textcopyright} 2020 by the authors. Licensee MDPI, Basel, Switzerland.",

year = "2020",

month = nov,

day = "1",

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Ramos-Hernandez, JJ, Arrieta-Gonzalez, CD, Chacon-Nava, JG, Porcayo-Palafox, E, Sanchez-Carrillo, M, Flores-De Los Rios, JP, Pedraza-Basulto, GK, Diaz-Mendez, SE & Porcayo-Calderon, J 2020, 'Effect of noble metal addition on the disorder dynamics of ni₃al by means of monte carlo simulation', Materials, vol. 13, no. 21, 4832, pp. 1-16. https://doi.org/10.3390/ma13214832

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AU - Ramos-Hernandez, J. J.

AU - Arrieta-Gonzalez, C. D.

AU - Chacon-Nava, J. G.

AU - Porcayo-Palafox, E.

AU - Sanchez-Carrillo, M.

AU - Flores-De Los Rios, J. P.

AU - Pedraza-Basulto, G. K.

AU - Diaz-Mendez, S. E.

AU - Porcayo-Calderon, J.

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N2 - In this work, the effect of the addition of noble metals on the order–order disorder process of the L12 structure corresponding to the intermetallic Ni3Al is analyzed. Stoichiometric, nonstoichiometric, and quasi-binary compositions doped with noble metals such as Ag, Au, Pd, and Pt (1 at%) were analyzed. It was observed that depending on the composition, there is a modification in the activation energies calculated from the two time constants that characterize the disorder process. The statistic of atomic jumps was typified based on the configuration of the window to be crossed and, with this, it was identified that the origin of the negative activation energy of the long disorder process is due to an increase in the corresponding energy of the AlAl-Ni jump through unnatural windows.

AB - In this work, the effect of the addition of noble metals on the order–order disorder process of the L12 structure corresponding to the intermetallic Ni3Al is analyzed. Stoichiometric, nonstoichiometric, and quasi-binary compositions doped with noble metals such as Ag, Au, Pd, and Pt (1 at%) were analyzed. It was observed that depending on the composition, there is a modification in the activation energies calculated from the two time constants that characterize the disorder process. The statistic of atomic jumps was typified based on the configuration of the window to be crossed and, with this, it was identified that the origin of the negative activation energy of the long disorder process is due to an increase in the corresponding energy of the AlAl-Ni jump through unnatural windows.

KW - Intermetallics

KW - Monte Carlo simulation

KW - Order/disorder transformation

KW - Ordering energies

KW - Pair correlation function

KW - Site occupancy

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