Neutron Diffraction and Computational Study of Zeolite NaX:  Influence of SIII‘ Cations on Its Complex with Benzene

1997 ◽  
Vol 101 (23) ◽  
pp. 4559-4564 ◽  
Author(s):  
Gerardo Vitale ◽  
Caroline F. Mellot ◽  
Lucy M. Bull ◽  
Anthony K. Cheetham
Keyword(s):  
Neutron Diffraction ◽  
Computational Study ◽  
Zeolite Nax

A Synchrotron X-ray Diffraction, Neutron Diffraction, 29Si MAS-NMR, and Computational Study of the Siliceous Form of Zeolite Ferrierite

1994 ◽  
Vol 116 (26) ◽  
pp. 11849-11855 ◽  
Author(s):  
Russell E. Morris ◽  
Scott J. Weigel ◽  
Neil J. Henson ◽  
Lucy M. Bull ◽  
Michael T. Janicke ◽  
...  
Keyword(s):  
Neutron Diffraction ◽  
Computational Study ◽  
Mas Nmr ◽  
29Si Mas Nmr ◽  
X Ray Diffraction ◽  
X Ray

Interstitial oxide ion migration in scheelite-type electrolytes: a combined neutron diffraction and computational study

2015 ◽  
Vol 3 (44) ◽  
pp. 22258-22265 ◽  
Author(s):  
Chiara Ferrara ◽  
Alessandro Mancini ◽  
Clemens Ritter ◽  
Lorenzo Malavasi ◽  
Cristina Tealdi
Keyword(s):  
Neutron Diffraction ◽  
Computational Study ◽  
Ion Migration ◽  
Oxide Ion Conductors ◽  
Oxide Ion ◽  
Ion Conductors

W-doped LnNbO4+d compounds (Ln = La, Nd) have been recently proposed as novel interstitial-based oxide ion conductors.

scholarly journals Lithium Diffusion Pathways in 3R-LixTiS2: A Combined Neutron Diffraction and Computational Study

2015 ◽  
Vol 119 (21) ◽  
pp. 11370-11381 ◽  
Author(s):  
Dennis Wiedemann ◽  
Mazharul M. Islam ◽  
Suliman Nakhal ◽  
Anatoliy Senyshyn ◽  
Thomas Bredow ◽  
...  
Keyword(s):  
Neutron Diffraction ◽  
Computational Study ◽  
Lithium Diffusion

scholarly journals Structural investigation of metal borohydrides by X-ray/neutron diffraction and computational study

2008 ◽  
Vol 64 (a1) ◽  
pp. C83-C83
Author(s):  
T. Sato ◽  
K. Ohoyama ◽  
T. Noritake ◽  
K. Miwa ◽  
H.-W. Li ◽  
...  
Keyword(s):  
Neutron Diffraction ◽  
Structural Investigation ◽  
Computational Study ◽  
X Ray

The Structure of Nitromalonamide:  A Combined Neutron-Diffraction and Computational Study of a Very Short Hydrogen Bond

1999 ◽  
Vol 103 (43) ◽  
pp. 8684-8690 ◽  
Author(s):  
Georg K. H. Madsen ◽  
Claire Wilson ◽  
Thomas M. Nymand ◽  
Garry J. McIntyre ◽  
Finn K. Larsen
Keyword(s):  
Hydrogen Bond ◽  
Neutron Diffraction ◽  
Computational Study ◽  
Short Hydrogen Bond

scholarly journals Experimental and computational study of the magnetic properties of ZrMn2−xCoxGe4O12

2017 ◽  
Vol 46 (21) ◽  
pp. 6921-6933 ◽  
Author(s):  
Diming Xu ◽  
Matthew Sale ◽  
Maxim Avdeev ◽  
Chris D. Ling ◽  
Peter D. Battle
Keyword(s):  
Solid Solution ◽  
Magnetic Properties ◽  
Neutron Diffraction ◽  
Computational Study ◽  
X Ray Diffraction ◽  
Ceramic Method ◽  
X Ray

Polycrystalline samples in the solid solution ZrMn2−xCoxGe4O12 (x = 0.0, 0.5, 1.0, 1.5 and 2.0) have been prepared using the ceramic method and characterised by a combination of magnetometry, X-ray diffraction and neutron diffraction.

Texture measurements in Al2O3 using BEKP

1994 ◽  
Vol 52 ◽  
pp. 608-609
Author(s):  
M. D. Vaudin ◽  
J. P. Cline
Keyword(s):  
Neutron Diffraction ◽  
Rapid Method ◽  
Crystallographic Orientation ◽  
Specimen Surface ◽  
X Ray Diffraction ◽  
Anisotropic Crystal ◽  
X Ray ◽  
Verification Method ◽  
Crystal Properties ◽  
Backscattered Electron

The study of preferred crystallographic orientation (texture) in ceramics is assuming greater importance as their anisotropic crystal properties are being used to advantage in an increasing number of applications. The quantification of texture by a reliable and rapid method is required. Analysis of backscattered electron Kikuchi patterns (BEKPs) can be used to provide the crystallographic orientation of as many grains as time and resources allow. The technique is relatively slow, particularly for noncubic materials, but the data are more accurate than any comparable technique when a sufficient number of grains are analyzed. Thus, BEKP is well-suited as a verification method for data obtained in faster ways, such as x-ray or neutron diffraction. We have compared texture data obtained using BEKP, x-ray diffraction and neutron diffraction. Alumina specimens displaying differing levels of axisymmetric (0001) texture normal to the specimen surface were investigated.BEKP patterns were obtained from about a hundred grains selected at random in each specimen.

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