Local Atomic Arrangement of Amorphous Zr50Ni50 Alloy Analyzed by AXS-RMC Method

2012 ◽  
Vol 508 ◽  
pp. 146-151
Author(s):  
T. Kawamata ◽  
Yokoyama Yoshihiko ◽  
Kazumasa Sugiyama

Structure of Zr50Ni50Amorphous Alloy Was Analyzed by Anomalous X-Ray Scattering (AXS) Coupled with Reverse Monte-Carlo (RMC) Simulation. Topological Features in the Nearest Neighbor Atomic Configuration Clearly Suggest that the Strong Chemical Interaction between Ni and Zr Breaks the Icosahedral-Like Local Ordering Structure Common in the Dense Random Packing of Hard Sphere (DRPHS) Model. Nevertheless, the Structure of Zr50Ni50Shows No Further Features Related to the Crystal-Like Chemical Short Range Ordering (CSRO).

2000 ◽  
Vol 644 ◽  
Author(s):  
Eiichiro Matsubara ◽  
Takahiro Nakamura ◽  
Masaki Sakurai ◽  
Muneyuki Imafuku ◽  
Shigeo Sato ◽  
...  

AbstractLocal atomic structures around Zr and Pt in a quasicrystalline Zr80Pt20alloy, and amorphous and quasicrystalline Zr70Ni10Pt20alloys have been determined by the anomalous x-ray scattering (AXS) method. A distinct prepeak observed in an intensity profile of the amorphous Zr70Ni10Pt20alloy indicates existence of strong chemical short-range order (CSRO) clusters in the amorphous phase. Total coordination numbers around Zr and Pt in a nearest neighbor region in both alloys have been evaluated. The values around Pt are almost equal to 12 in the amorphous and quasicrystalline states suggest formation of icosahedral clusters around Pt. Some of crystalline structures formed from the quasicrystalline phases by annealing consist of icosahedral clusters of Zr and Ni atoms, or polyhedral clusters of Zr and Pt atoms similar with icosahedral clusters. The present result appears to support that the phase transformation from the amorphous to the crystal through the quasicrystal is explained by the icosahedral CSRO clusters in the amorphous and quasicrystalline states.


It is shown how to evaluate the two-body, and three-body cluster integrals, ɳ 3 , ɳ * 3 , β 3 , β * 3 (equations (1.1) to (1.4)) for the hard-sphere, square-well and Lennard-Jones ( v :½ v ) potentials; the three-body potential used is the dipole-dipole-dipole potential of Axilrod & Teller. Explicit expressions are presented for the integrals ɳ * 3 , β * 3 using the above potentials; in the case of the first integral, its values for both small and large values of the separation distance are also given, for the Lennard-Jones ( v :½ v ) potential. Similar considerations have been carried out for ɳ 3 and β 3 , except that explicit expressions for the hard-sphere, and square-well potentials are not given, since these had been done before by other authors. The intermediate expressions for the four cluster integrals, are in terms of single integrals, and such expressions are valid for any continuous potential. Numerical results based on some of the expressions in this paper are compared with the results of numerical evaluation of the above integrals by other authors, and the agreement is seen to be good. Making use of the Mikolaj-Pings relation, the above results are used to obtain relationships between the second virial coefficient, and X-ray scattering data, as well as a means of deducing the pair potential at large separations, directly from a knowledge of X-ray scattering data, and the second virial coefficient.


1999 ◽  
Vol 38 (S1) ◽  
pp. 448 ◽  
Author(s):  
Changyong Park ◽  
Masatoshi Saito ◽  
Nobuyuki Nishiyama ◽  
Akihisa Inoue ◽  
Yoshio Waseda

1990 ◽  
Vol 45 (5) ◽  
pp. 623-626 ◽  
Author(s):  
Kazuo Igarashi ◽  
Mineo Kosaka ◽  
Masahiro Ikeda ◽  
Junichi Mochinaga

Abstract The structure of molten NdClj at 800 CC has been investigated by X-ray scattering and the correlation method. The nearest neighbor distance and coordination number of Nd-Cl are 2.77 Ä and 5.5 A, respectively. The Nd-Nd and CI-CI distances are 5.08 and 4.04 Ä, respectively. The average nearest neighbor distance and coordination number decrease markedly on melting, and the resulting short range structure of the melt is approximately octahedral


2002 ◽  
Vol 754 ◽  
Author(s):  
Michelle L. Tokarz ◽  
Matt Daniels ◽  
John C. Bilello ◽  
Zofia Rek

ABSTRACTBulk forms of Refractory Alloy Glasses (RAGs) of the composition Ni60Nb37Sn3 have recently been synthesized as part of a larger project for potential use in structural applications. Modeling efforts of such metallic glasses have traditionally involved the use of hard sphere models without regard to potential electron density fluctuations of individual components. X-ray characterization of these materials (in both reflection and transmission modes) provided scattering data necessary for subsequent radial distribution analysis, which gives structural information such as nearest neighbor distances and packing characteristics. A model radial distribution function (RDF) was constructed based upon a hard sphere space filling assumption and compared to the RDFs obtained from experimental scattering data. The experimental RDFs showed no difference from the model RDF within the limit of experimental error, with regard to nearest neighbor distances and coordination numbers of the first two nearest neighbors.Additionally, transmission mode scattering experiments from a white beam x-ray source (E = 2 to 40 keV) demonstrated a through thickness amorphous structure of 2mm thick samples. Converted line profiles from the two-dimensional diffraction patterns from this experiment also showed agreement with reflection mode experiments. Samples of Vitreloy-106 (Zr57Nb5Cu15.4Ni12.6Al10) of similar thicknesses were used as standards due to the well-known behavior of this particular class of metallic glasses.


1999 ◽  
Vol 32 (3) ◽  
pp. 426-435 ◽  
Author(s):  
Cheng-Si Tsao ◽  
Tsang-Lang Lin

An improved method for small-angle X-ray scattering (SAXS) data analysis is developed to reconstruct the free-form particle size distribution of δ′ precipitation in an Al–Li alloy. This improved method consists of four iterative steps; the interparticle interference is also included. The indirect transform method (ITM) plus a hard-sphere (HS) model which considers the depleted zones are used in the analysis of δ′ precipitation in an Al–Li alloy. Two parameters, namely the hard-sphere volume fraction, ηHS, and the ratio of hard-sphere radius to the particle radius,RHS/R, which determine the structure factor of the interparticle effect, are iteratively calculated using the monodisperse assumption and Gaussian size distribution. These two parameters are finally used in reconstructing the particle size distribution by the ITM + HS method. This method is tested by analysing simulated SAXS data and shows a better agreement than found in similar studies. This improved method is applied to analyse a set of experimental SAXS intensities from δ′ (Al3Li particles) precipitation in an Al–9.7 at.% Li alloy. The monodisperse results are compared with the polydisperse ITM + HS results. The current ITM + HS method fits the SAXS data better than the other methods. The variations of average radii with aging time were found to follow the kinetic power law. The SAXS results are used to investigate the theoretical kinetic model of the volume-fraction effect on late-stage coarsening (Ostwald ripening). By comparing both experimentally obtained asymptotic size distributions of δ′ particles as well as coarsening rate constants with those predicted by the various kinetic models, the modified Lifshitz–Slyozov–Wagner (MLSW) theory is found to be in better agreement with the experimental results than the other theories.


1997 ◽  
Vol 469 ◽  
Author(s):  
K. Nordlund ◽  
P. Partyka ◽  
R. S. Averback

ABSTRACTDiffuse X-ray scattering is a useful method for studying defects in silicon and metals. Although the traditional approaches of analyzing experimental diffuse X-ray scattering data have given much information about the size of defects and defect clusters, they are not very well suited for determining the atomic configuration. We present a fully atomistic computational method to calculate the diffuse X-ray scattering line profile of an arbitrary atomic configuration, and compare line profiles of point defects and Frenkel pair configurations with experiment.


2010 ◽  
Vol 29 (5-6) ◽  
pp. 381-392
Author(s):  
Osami Haruyama, ◽  
Takahiro Makimura, ◽  
Tomoki Miyakawa, ◽  
Kazumasa Sugiyama,

2019 ◽  
Vol 9 (20) ◽  
pp. 4316 ◽  
Author(s):  
Loise ◽  
Caputo ◽  
Porto ◽  
Calandra ◽  
Angelico ◽  
...  

This review aims to explore the state of the knowledge and the state-of-the-art regarding bitumen rejuvenation. In particular, attention was paid to clear things up about the rejuvenator mechanism of action. Frequently, the terms rejuvenator and flux oil, or oil (i.e., softening agent) are used as if they were synonymous. According to our knowledge, these two terms refer to substances producing different modifications to the aged bitumen: they can decrease the viscosity (softening agents), or, in addition to this, restore the original microstructure (real rejuvenators). In order to deal with the argument in its entirety, the bitumen is investigated in terms of chemical structure and microstructural features. Proper investigating tools are, therefore, needed to distinguish the different mechanisms of action of the various types of bitumen, so attention is focused on recent research and the use of different investigation techniques to distinguish between various additives. Methods based on organic synthesis can also be used to prepare ad-hoc rejuvenating molecules with higher performances. The interplay of chemical interaction, structural changes and overall effect of the additive is then presented in terms of the modern concepts of complex systems, which furnishes valid arguments to suggest X-ray scattering and Nuclear Magnetic Resonance relaxometry experiments as vanguard and forefront tools to study bitumen. Far from being a standard review, this work represents a critical analysis of the state-of-the-art taking into account for the molecular basis at the origin of the observed behavior. Furnishing a novel viewpoint for the study of bitumen based on the concepts of the complex systems in physics, it constitutes a novel approach for the study of these systems.


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