Computer simulation study of copper precipitates in α-iron

Yu N. Osetsky; A. G. Mikhin; A. Serra

doi:10.1016/0022-3115(94)90063-9

Computer simulation study of copper precipitates in α-iron

Yu N. Osetsky, A. G. Mikhin, A. Serra

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

17 Scopus citations

Abstract

The structure and properties of Cu precipitates in α-iron have been studied by computer simulation. First, pair potentials describing Fe-Fe, Cu-Cu and Fe-Cu atomic interactions have been constructed based on the generalized pseudopotential theory. Then, phase stability of Fe and Cu has been investigated and it has been found that these potentials provide the main features of phase transformations fcc-bcc (Fe) and bcc-fcc (Cu). Finally, coherent copper precipitates in bcc iron have been simulated and the structure, energy and interaction of the precipitates with the matrix have been studied.

Original language	English
Pages (from-to)	236-240
Number of pages	5
Journal	Journal of Nuclear Materials
Volume	212-215
Issue number	PART 1
DOIs	https://doi.org/10.1016/0022-3115(94)90063-9
State	Published - Sep 1994
Externally published	Yes

Access to Document

10.1016/0022-3115(94)90063-9

Cite this

@article{7aab2666d03145c5979300acbcf586b6,

title = "Computer simulation study of copper precipitates in α-iron",

abstract = "The structure and properties of Cu precipitates in α-iron have been studied by computer simulation. First, pair potentials describing Fe-Fe, Cu-Cu and Fe-Cu atomic interactions have been constructed based on the generalized pseudopotential theory. Then, phase stability of Fe and Cu has been investigated and it has been found that these potentials provide the main features of phase transformations fcc-bcc (Fe) and bcc-fcc (Cu). Finally, coherent copper precipitates in bcc iron have been simulated and the structure, energy and interaction of the precipitates with the matrix have been studied.",

author = "Osetsky, {Yu N.} and Mikhin, {A. G.} and A. Serra",

year = "1994",

month = sep,

doi = "10.1016/0022-3115(94)90063-9",

language = "English",

volume = "212-215",

pages = "236--240",

journal = "Journal of Nuclear Materials",

issn = "0022-3115",

publisher = "Elsevier",

number = "PART 1",

}

TY - JOUR

T1 - Computer simulation study of copper precipitates in α-iron

AU - Osetsky, Yu N.

AU - Mikhin, A. G.

AU - Serra, A.

PY - 1994/9

Y1 - 1994/9

N2 - The structure and properties of Cu precipitates in α-iron have been studied by computer simulation. First, pair potentials describing Fe-Fe, Cu-Cu and Fe-Cu atomic interactions have been constructed based on the generalized pseudopotential theory. Then, phase stability of Fe and Cu has been investigated and it has been found that these potentials provide the main features of phase transformations fcc-bcc (Fe) and bcc-fcc (Cu). Finally, coherent copper precipitates in bcc iron have been simulated and the structure, energy and interaction of the precipitates with the matrix have been studied.

AB - The structure and properties of Cu precipitates in α-iron have been studied by computer simulation. First, pair potentials describing Fe-Fe, Cu-Cu and Fe-Cu atomic interactions have been constructed based on the generalized pseudopotential theory. Then, phase stability of Fe and Cu has been investigated and it has been found that these potentials provide the main features of phase transformations fcc-bcc (Fe) and bcc-fcc (Cu). Finally, coherent copper precipitates in bcc iron have been simulated and the structure, energy and interaction of the precipitates with the matrix have been studied.

UR - http://www.scopus.com/inward/record.url?scp=0028499394&partnerID=8YFLogxK

U2 - 10.1016/0022-3115(94)90063-9

DO - 10.1016/0022-3115(94)90063-9

M3 - Article

AN - SCOPUS:0028499394

SN - 0022-3115

VL - 212-215

SP - 236

EP - 240

JO - Journal of Nuclear Materials

JF - Journal of Nuclear Materials

IS - PART 1

ER -

Computer simulation study of copper precipitates in α-iron

Abstract

Access to Document

Other files and links

Fingerprint

Cite this