Copper concentration inside Guinier-Preston I zones formed in an Al –Cu alloy

Copper concentration inside Guinier-Preston I zones formed in an Al –Cu alloy

The copper concentration inside a Guinier-Preston (GPI) zone was studied by means of an extended Hückel molecular orbital (EHMO) calculation. The present EHMO calculation revealed that the Cu concentration inside a GPI zone depends on the size of the zone. The GPI zone comprises both Cu and Al in a...

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Veröffentlicht in:International journal of materials research 2021-12, Vol.93 (3), p.204-207
Hauptverfasser: Takeda, M., Nagura, Y., Igarashi, A., Endo, T.
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Sprache:eng
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Al –Cu alloy
Copper concentration
Extended Hückel MO calculation
Guinier-Preston zones
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container_start_page 204
container_title International journal of materials research
container_volume 93
creator Takeda, M.
Nagura, Y.
Igarashi, A.
Endo, T.
description The copper concentration inside a Guinier-Preston (GPI) zone was studied by means of an extended Hückel molecular orbital (EHMO) calculation. The present EHMO calculation revealed that the Cu concentration inside a GPI zone depends on the size of the zone. The GPI zone comprises both Cu and Al in a small GPI zone, whereas the Cu concentration inside the GPI zone increases to nearly 100 at.% Cu in a large GPI zone. A compressive lattice distortion, which is associated with the zone, increases the stability, but when a GPI zone is 5 nm in diameter, the stabilizing effect of the zone is estimated to be not higher than 10% of the chemical energy due to Cu coalescence.
doi_str_mv 10.3139/ijmr-2002-0038
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source De Gruyter journals
subjects Al –Cu alloy
Copper concentration
Extended Hückel MO calculation
Guinier-Preston zones
title Copper concentration inside Guinier-Preston I zones formed in an Al –Cu alloy
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