scholarly journals Investigation of short-range structural order in Zr69.5Cu12Ni11Al7.5and Zr41.5Ti41.5Ni17glasses, using X-ray absorption spectroscopy andab initiomolecular dynamics simulations

2014 ◽  
Vol 21 (6) ◽  
pp. 1296-1304 ◽  
Author(s):  
Debdutta Lahiri ◽  
Surinder M. Sharma ◽  
Ashok K. Verma ◽  
B. Vishwanadh ◽  
G. K. Dey ◽  
...  
Keyword(s):  
Absorption Spectroscopy ◽  
Metallic Glasses ◽  
Short Range ◽  
Short Range Order ◽  
Relative Importance ◽  
Chemical Order ◽  
X Ray ◽  
Glass Forming ◽  
Dynamics Simulations ◽  
X Ray Absorption

Short-range order has been investigated in Zr69.5Cu12Ni11Al7.5and Zr41.5Ti41.5Ni17metallic glasses using X-ray absorption spectroscopy andab initiomolecular dynamics simulations. While both of these alloys are good glass formers, there is a difference in their glass-forming abilities (Zr41.5Ti41.5Ni17> Zr69.5Cu12Ni11Al7.5). This difference is explained by inciting the relative importance of strong chemical order, icosahedral content, cluster symmetry and configuration diversity.

Controlling the atomic distribution in PtPd nanoparticles: thermal stability and reactivity during NO abatement

2017 ◽  
Vol 19 (15) ◽  
pp. 9974-9982 ◽  
Author(s):  
D. Schafer ◽  
M. V. Castegnaro ◽  
A. Gorgeski ◽  
A. Rochet ◽  
V. Briois ◽  
...  
Keyword(s):  
Mass Spectrometry ◽  
Thermal Stability ◽  
Absorption Spectroscopy ◽  
Short Range ◽  
Short Range Order ◽  
No Decomposition ◽  
X Ray ◽  
No Abatement ◽  
X Ray Absorption

In situ X-ray absorption spectroscopy and mass spectrometry measurements were employed to simultaneously probe the atom specific short range order and reactivity of Pd and PtPd nanoparticles towards NO decomposition at 300 °C.

Solving the 3D structure of metal nanoparticles

2007 ◽  
Vol 222 (11/2007) ◽  
Author(s):  
Anatoly Frenkel
Keyword(s):  
Metal Nanoparticles ◽  
Short Range ◽  
Short Range Order ◽  
3D Structure ◽  
Three Dimensional ◽  
X Ray ◽  
Particle Distributions ◽  
Structure Of Metal ◽  
X Ray Absorption

We discuss methods of Extended X-ray Absorption Fine-Structure (EXAFS) analysis that provide three-dimensional structural characterization of metal nanoparticles, both mono- and bi-metallic. For the bimetallic alloys, we use short range order measurements to discriminate between random and non-random inter-particle distributions of atoms. We also discuss the application of EXAFS to heterogeneous nanoparticle systems.

Short Range Order Structure Around Oxygen Atoms in the Superconductor Y-Ba-Cu-O

1987 ◽  
Vol 99 ◽  
Author(s):  
S. C. Woronick ◽  
W. Ng ◽  
A. Krol ◽  
B. X. Yang ◽  
Y. H. Kao ◽  
...  
Keyword(s):  
Short Range ◽  
Short Range Order ◽  
Local Environment ◽  
Order Structure ◽  
Total Electron Yield ◽  
Total Electron ◽  
X Ray ◽  
Superconducting Compound ◽  
X Ray Absorption ◽  
Oxygen Atoms

ABSTRACTSpectra of the oxygen K-edge extended x-ray absorption fine structure (EXAFS) of the superconducting compound Y-Ba-Cu-O were obtained by measuring the total electron yield as a function of incident x-ray energy at temperatures between 77K and 300K. This technique affords a convenient way for probing the local environment around the oxygen atoms and soft modes in the lattice.

Local structure of the Zr–Al metallic glasses studied by proposed n-body potential through molecular dynamics simulation

2010 ◽  
Vol 25 (9) ◽  
pp. 1679-1688 ◽  
Author(s):  
S.Z. Zhao ◽  
J.H. Li ◽  
B.X. Liu
Keyword(s):  
Molecular Dynamics ◽  
Metallic Glasses ◽  
Short Range ◽  
Short Range Order ◽  
Range Order ◽  
Dynamics Simulation ◽  
Face Centered Cubic ◽  
Dynamics Simulations ◽  
Body Potential ◽  
Pair Analysis

An n-body potential is first constructed for the Zr–Al system and proven to be realistic by reproducing a number of important properties of the system. Applying the constructed potential, molecular dynamics simulations, chemical short-range order (CSRO) calculation, and Honeycutt and Anderson (HA) pair analysis are carried out to study the Zr–Al metallic glasses. It is found that for the binary Zr–Al system, metallic glasses are energetically favored to be formed within composition range of 35–75 at.% Al. The calculation shows that the CSRO parameter is negative and could be up to −0.17, remarkably indicating that there exists a chemical short-range order in the Zr–Al metallic glasses. The HA pair analysis also reveals that there are diverse short-range packing units in the Zr–Al metallic glasses, in which icosahedra and icosahedra/face-centered cubic (fcc)-defect structures are predominant.

Studies of short range order structure in the high-Tc superconductor Y-Ba-Cu-O using X-ray absorption techniques

1989 ◽  
Vol 158 (1-3) ◽  
pp. 465-466 ◽  
Author(s):  
A. Krol ◽  
L.Y. Jang ◽  
S.C. Woronick ◽  
F. Xu ◽  
Y.D. Yao ◽  
...  
Keyword(s):  
Short Range ◽  
Short Range Order ◽  
Range Order ◽  
Order Structure ◽  
High Tc ◽  
X Ray ◽  
High Tc Superconductor ◽  
X Ray Absorption
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