Local atomic arrangements and their topology in Ni–Zr and Cu–Zr glassy and crystalline alloys
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Zirconium alloy
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Neutron diffraction is a powerful tool to elucidate the atomic arrangement of amorphous alloys because of characteristic scattering lengths of constituent elements. For hydrogen absorption amorphous alloys HID isotopic substitution was employed to observe the location of deuterium atoms because the neutron coherent scattering length of deuterium is large enough to observe in comparison with those of the constituent atoms. Moreover, Reverse Monte Carlo (RMC) modeling has been recognized to be an excellent method for visualizing the threedimensional atomic arrangement of amorphous alloys, based on the results of neutron and X-ray diffraction experiments. Therefore, the combination of neutron, X-ray diffraction experiments and the RMC modeling was used to clarify the topological characteristics of the structure of amorphous alloys.
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The atomic structure of the liquid NiSi and NiSi2 alloys is investigated by means of neutron diffraction experiments with isotopic substitution. From experimental data-sets obtained using four Ni isotopes, partial structure factors and pair correlation functions are obtained by applying a reverse Monte Carlo modelling approach. Both alloys were found to exhibit a strong tendency to hetero-coordination within the first coordination shell. In particular, covalent Si–Si bonds with somewhat greater distances seem to influence the structure of the liquid NiSi alloy.
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Structure factor
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Reverse Monte Carlo
Lithium carbonate
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Structural models are reported for lanthanum tellurite glasses, (La2O3)x - (TeO2)1-x(x = 0.05, 0.10, 0.15, 0.20) usingtotal neutron diffraction measurements, Raman spectroscopy and neutron powder diffraction onrecrystallized glasses. Reverse Monte Carlo modeling of total diffraction data has been used to build 3D configurations for all the glasses to understand the correlation between glass network and crystalline structure. The average coordination number and bond angle distributions have been obtained and compared as a function of lanthanum concentration. We observed that the local structure of the glasses has good resemblance to the short range order of corresponding crystalline phase and the network connectivity in the glasses can be linked to that of the distorted crystalline structure which is basically the origin of anti-glass phase.
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Lanthanum
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Powder Diffraction
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Reverse Monte Carlo
Stoichiometry
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Tetrahedron
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In this paper, I will report my structural studies for amorphous and nano-crystalline materials by taking advantage of neutron diffraction. Recently, the three dimensional atomic arrangements obtained by reverse Monte Carlo modeling based on neutron and X-ray diffraction data informed us of the precise structural features of amorphous and nano-crystalline materials.
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Radial distribution function
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Carbon fibers
Pair Distribution Function
Tetrahedron
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