Medium-range structural order in liquid Ni20Al80 alloy: Experimental and molecular dynamics studies

Wang, Li; Wang, Yuqing; Peng, Chuanxiao; Zhang, Yanning

doi:10.1016/j.physleta.2005.10.041

Cited by 13 publications

(8 citation statements)

References 21 publications

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“…The partial SF describing the distribution of unlike atoms shows evident maxima. Their profile is in many aspects very similar to the SF commonly observed for molten intermetallics [21,22]. With increasing Ni content, the principal peaks arise, showing significant correlation in the distribution of unlike atoms.…”

Section: Resultssupporting

confidence: 68%

Cluster structure in Al-Si eutectic melt with solid Ni particles

Mudry¹,

Shtablavyi²

2008

Chem. Met. Alloys

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Section: Resultssupporting

confidence: 68%

Cluster structure in Al-Si eutectic melt with solid Ni particles

Mudry¹,

Shtablavyi²

2008

Chem. Met. Alloys

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“…14 Studies of Zr x Pt 100-x (73 ≤ x ≤ 77) glasses 15 show that the intensity of the pre-peak increases with increasing Pt concentration, suggesting that it arises from Pt-Pt correlations. Pre-peaks, indicating some degree of medium-range order (MRO), have been observed previously in experimental [15][16][17][18][19] and theoretical 18,20,21 studies of metallic glasses and liquids. However, reports of MRO in metal-metal liquids are rare, 22,23 found primarily in metal-metalloid binary 24,25 and Al-based binary and ternary 17,26,27 alloys.…”

Section: Introductionmentioning

confidence: 61%

Short- and medium-range order in Zr80Pt20liquids

Mauro¹,

Wessels

Bendert³

et al. 2011

Phys. Rev. B

100

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The atomic structures in equilibrium and supercooled liquids of Zr 80 Pt 20 were determined as a function of temperature by in-situ high-energy synchrotron diffraction studies of the levitated liquids (containerless processing) using the beamline electrostatic levitation (BESL) technique. The presence of a pronounced pre-peak at q ~ 1.7 Å -1 in the static structure factor indicates medium range order (MRO) in the liquid. The position and intensity of the pre-peak remain constant with cooling, indicating that the MRO is already present in the liquid above its melting temperature. An analysis of the liquid atomic structures obtained using the Reverse Monte Carlo (RMC) method utilizing both the structure factor, S(q), from x-ray diffraction experiments and the partial pair-correlation functions from ab initio molecular dynamics (MD) simulations show that the pre-peak arises from a Pt-Pt correlation that can be indentified with icosahedral short-range order around the Pt atoms. The local atomic ordering is dominated by icosahedral-like structures, raising the nucleation barrier between the liquid and these phases, thus assisting glass formation.

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“…the cooling rate and the thermal history of the melt before atomisation. This is further corroborated by the fact that in neutron diffraction (ND) measurements on molten Al 80 Ni 20 alloys [29] as well as ab initio calculations [30] indicate that a temperature dependent chemical order exists in the molten alloy. A similar tendency has been found in molten AlCu alloys [31] but in this alloy it was also found that the diffusion rate of Cu ions depends both on temperature and on alloy composition [32].…”

Section: Introductionmentioning

confidence: 73%

“…11) indicating that the cooling rate is so large that equilibrium crystalline phases have no time to be formed. This might be due to the existence of a chemical order in the molten AlNi alloy in the sense that an aluminium atom prefers a nickel atom as nearest neighbour [29,30]. It should be stressed that even if the Al/Ni ratio tends to one the crystalline structure of the Al 3 Ni 2 phase does not change and that there is no indication of the existence of the B2 AlNi phase.…”

Section: Discussionmentioning

confidence: 99%