Temperature and time dependent structure of the molten Ni81P19 alloy by neutron diffraction

Dahlborg, U.; Gasser, J.G.; Cuello, G.J.; Mehraban, Shahin; Lavery, Nicholas; Calvo-Dahlborg, M.

doi:10.1016/j.jnoncrysol.2018.08.019

Cited by 5 publications

(3 citation statements)

References 44 publications

(84 reference statements)

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“…The CNA further indicated that significant fcc ordering persists as attested by the presence of about 10% 421 pairs, while the bcc ordering remains always small. Even though a fcc ordering is present in our structure, no pure Ni inclusions could be detected, as was hypothesized recently [40].…”

Section: Resultssupporting

confidence: 61%

“…In a first stage, the reliability of the EAM potential is tested against existing experimental data and ab initio calculations in the liquid and amorphous states. In figure 1 the total neutron scattering structure factor obtained by MD and AIMD in the liquid state at T = 1325 K is compared with experimental data of Dahlborg et al [40]. Both S N (q) simulation curves have been calculated using the ISAACS software [41].…”

Section: Resultsmentioning

confidence: 99%

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Molecular dynamics simulations of amorphous Ni–P alloy formation by rapid quenching and atomic deposition

Brüning¹,

Brown²,

Bera³

et al. 2020

J. Phys.: Condens. Matter

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A combined experimental and simulation study is carried out to compare the properties of amorphous Ni 100−x P x alloys obtained by electroless deposition and rapid melt-quenching. The onset of crystallization of experimental electroless deposited amorphous films is measured by differential scanning calorimetry experiments. Classical molecular dynamics simulations using Embedded Atom Model-based interactions are performed to obtain glassy Ni-P by melt-quenching the liquid with various quenching rates, as well as via low-energy chemical deposition to mimic experimental electroless deposition. It is shown that the deposited amorphous and glassy states display similar short-range order. The amorphous deposit corresponds to a glassy state obtained with a cooling rate of 10 9 K s −1 , indicating that deposition yields generally more relaxed amorphous structures. The appearance of phosphorus-enriched surface on the simulated deposited thin film, comparable to experimental observations, is discussed.

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Section: Resultssupporting

confidence: 61%

Section: Resultsmentioning

confidence: 99%

Molecular dynamics simulations of amorphous Ni–P alloy formation by rapid quenching and atomic deposition

Brüning¹,

Brown²,

Bera³

et al. 2020

J. Phys.: Condens. Matter

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show abstract

“…However, the third coordination shell shifts bỹ 2.30%. It is noted that the position (6.5-6.7 Å) of the third coordination shell of the MG-subtracted pattern is similar to the position (~6.6 Å) of the third coordination shell of the Ni 81 P 19 metallic liquid 39 . To understand the significance of this increase, the peak positions for the third coordination shell of two representative metallic glass-forming liquids (MGFLs) and their glassy state counterparts: Zr 57 Nb 5 Al 10 Cu 15.4 Ni 12.6 (Vit 106) and Pd 43 Cu 27 Ni 10 P 20 were determined.…”

Section: Resultsmentioning

confidence: 59%

Engineering medium-range order and polyamorphism in a nanostructured amorphous alloy

et al. 2019

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Like crystalline materials, the properties of amorphous materials can be tailored by tuning the local atomic-to-nanoscale structural configurations. Polyamorphism is evident by the coexistence of kinetically stabilized amorphous structures with tailorable short-to-medium-range orders, providing a viable means to engineer the degree of local order and heterogeneity. Here, we report experimental evidence of the coexistence of liquid-like and solid-like amorphous phases in a Ni 82 P 18 amorphous alloy with enhanced thermal stability and plasticity prepared by pulsed electrodeposition. The two amorphous phases, of comparable volume fraction of~50% each, have similar short-range order but are distinguished by packing at the medium-range length scale (>6 Å). Upon heating, a structure crossover at 450 K was observed, where the liquid-like structure transforms to the solid-like structure, as evidenced by the enthalpy release and an anomalous contraction of atomic structure over the medium-range length scale, due to the metastable nature of the liquid-like structure.

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About causes of slow relaxation of melted intermetallic alloys

Lebedev,

Shklyaev,

Menshikova

et al. 2023

Calphad

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Temperature and time dependent structure of the molten Ni81P19 alloy by neutron diffraction

Cited by 5 publications

References 44 publications

Molecular dynamics simulations of amorphous Ni–P alloy formation by rapid quenching and atomic deposition

Molecular dynamics simulations of amorphous Ni–P alloy formation by rapid quenching and atomic deposition

Engineering medium-range order and polyamorphism in a nanostructured amorphous alloy

About causes of slow relaxation of melted intermetallic alloys

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