Concentration overshooting caused by compositional relaxation in a one-dimensional BCC binary model alloy: A computer simulation on microscopic master equations

Long Qing Chen; Qiang Wang

doi:10.1016/S1359-6462(98)00273-5

Concentration overshooting caused by compositional relaxation in a one-dimensional BCC binary model alloy: A computer simulation on microscopic master equations

Long Qing Chen, Qiang Wang

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Abstract

Using the microscopic master equation in point- and pair-approximations with nearest neighbor interaction, the compositional relaxation of concentration profile of the modulated materials has been studied above the critical spinodal instability temperature(T_c = 1.75unit) in a model bcc binary alloy. Based on the results obtained and discussion, we make the following conclusions: (1) concentration overshooting has been observed in the microscopic master equation simulation with both point- and pair-approximation simulations. This is consistent with the previous indications from the Cahn-Hilliard continuum equations and path probability method(PPM); (2) the magnitude of the overshooting is a monotonically decreasing function of temperature; (3) the composition profiles calculated from both the point- and pair-approximations are similar.

Original language	English (US)
Pages (from-to)	1113-1118
Number of pages	6
Journal	Scripta Materialia
Volume	39
Issue number	8
DOIs	https://doi.org/10.1016/S1359-6462(98)00273-5
State	Published - Sep 15 1998

All Science Journal Classification (ASJC) codes

Materials Science(all)
Condensed Matter Physics
Mechanics of Materials
Mechanical Engineering
Metals and Alloys

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10.1016/S1359-6462(98)00273-5

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@article{49207eaf088445b1bc9aa8f7add9b18c,

title = "Concentration overshooting caused by compositional relaxation in a one-dimensional BCC binary model alloy: A computer simulation on microscopic master equations",

abstract = "Using the microscopic master equation in point- and pair-approximations with nearest neighbor interaction, the compositional relaxation of concentration profile of the modulated materials has been studied above the critical spinodal instability temperature(Tc = 1.75unit) in a model bcc binary alloy. Based on the results obtained and discussion, we make the following conclusions: (1) concentration overshooting has been observed in the microscopic master equation simulation with both point- and pair-approximation simulations. This is consistent with the previous indications from the Cahn-Hilliard continuum equations and path probability method(PPM); (2) the magnitude of the overshooting is a monotonically decreasing function of temperature; (3) the composition profiles calculated from both the point- and pair-approximations are similar.",

author = "Chen, {Long Qing} and Qiang Wang",

note = "Funding Information: This work is supported by ARPA/NIST program on mathematical modeling of microstructural evolution in advanced alloys and by ONR under Grant No. N-00014-95-1-0577. The computations were partly performed on the CRAY at the Pittsburgh Supercomputing Center and the CPU time was provided by the Center under Grants No. 940015P and No. 960007P.",

year = "1998",

month = sep,

day = "15",

doi = "10.1016/S1359-6462(98)00273-5",

language = "English (US)",

volume = "39",

pages = "1113--1118",

journal = "Scripta Materialia",

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T1 - Concentration overshooting caused by compositional relaxation in a one-dimensional BCC binary model alloy

T2 - A computer simulation on microscopic master equations

AU - Chen, Long Qing

AU - Wang, Qiang

N1 - Funding Information: This work is supported by ARPA/NIST program on mathematical modeling of microstructural evolution in advanced alloys and by ONR under Grant No. N-00014-95-1-0577. The computations were partly performed on the CRAY at the Pittsburgh Supercomputing Center and the CPU time was provided by the Center under Grants No. 940015P and No. 960007P.

PY - 1998/9/15

Y1 - 1998/9/15

N2 - Using the microscopic master equation in point- and pair-approximations with nearest neighbor interaction, the compositional relaxation of concentration profile of the modulated materials has been studied above the critical spinodal instability temperature(Tc = 1.75unit) in a model bcc binary alloy. Based on the results obtained and discussion, we make the following conclusions: (1) concentration overshooting has been observed in the microscopic master equation simulation with both point- and pair-approximation simulations. This is consistent with the previous indications from the Cahn-Hilliard continuum equations and path probability method(PPM); (2) the magnitude of the overshooting is a monotonically decreasing function of temperature; (3) the composition profiles calculated from both the point- and pair-approximations are similar.

AB - Using the microscopic master equation in point- and pair-approximations with nearest neighbor interaction, the compositional relaxation of concentration profile of the modulated materials has been studied above the critical spinodal instability temperature(Tc = 1.75unit) in a model bcc binary alloy. Based on the results obtained and discussion, we make the following conclusions: (1) concentration overshooting has been observed in the microscopic master equation simulation with both point- and pair-approximation simulations. This is consistent with the previous indications from the Cahn-Hilliard continuum equations and path probability method(PPM); (2) the magnitude of the overshooting is a monotonically decreasing function of temperature; (3) the composition profiles calculated from both the point- and pair-approximations are similar.

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DO - 10.1016/S1359-6462(98)00273-5

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SN - 1359-6462

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SP - 1113

EP - 1118

JO - Scripta Materialia

JF - Scripta Materialia

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Concentration overshooting caused by compositional relaxation in a one-dimensional BCC binary model alloy: A computer simulation on microscopic master equations

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