Title of article :
A molecular dynamics study on the role of localised lattice distortions in the formation of Ni–Zr metallic glasses
Author/Authors :
Delogu، نويسنده , , F.، نويسنده ,
Issue Information :
روزنامه با شماره پیاپی سال 2003
Pages :
10
From page :
52
To page :
61
Abstract :
The formation of Ni–Zr binary metallic glasses resulting from the introduction of localised crystalline lattice distortions is investigated by means of constant-temperature, constant-pressure molecular dynamics simulations. Substitutional solid solutions of various composition were created by inserting substitutional atoms into a pure lattice. The insertion of Zr atoms into the regular Ni lattice determined its volume expansion, while the insertion of Ni atoms into the Zr lattice induced a volume contraction. Local lattice distortions are associated with substitutional atoms due to the size mismatch between Ni and Zr. The radial distribution functions, the rms atomic displacement and the static order parameter are used to characterise the response of the system to the insertion of substitutional atoms. The gradual loss of crystalline long-range order is accompanied by a large elastic softening. It appears that the static order parameter represents the fundamental quantity to characterise the elastic behaviour of both Ni- and Zr-based solid solutions.
Keywords :
Substitutional solid solutions , structural instability , Amorphisation , Elastic softening
Journal title :
MATERIALS SCIENCE & ENGINEERING: A
Serial Year :
2003
Journal title :
MATERIALS SCIENCE & ENGINEERING: A
Record number :
2142787
Link To Document :
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