Liquid Water: Atom Pair Correlation Functions from Neutron and X‐Ray Diffraction

1972 ◽  
Vol 56 (11) ◽  
pp. 5681-5687 ◽  
Author(s):  
A. H. Narten
Keyword(s):  
Liquid Water ◽  
Correlation Functions ◽  
Pair Correlation ◽  
X Ray Diffraction ◽  
Atom Pair ◽  
Pair Correlation Functions ◽  
X Ray

X-Ray Diffraction with Molten AuxMn100-x-Alloys

1995 ◽  
Vol 50 (9) ◽  
pp. 831-836
Author(s):  
R. M. Hagenmayer ◽  
P. Lamparter ◽  
S. Steeb
Keyword(s):  
Correlation Functions ◽  
Short Range ◽  
Short Range Order ◽  
Pair Correlation ◽  
Diffraction Method ◽  
X Ray Diffraction ◽  
Pair Correlation Functions ◽  
X Ray ◽  
Structure Factors ◽  
Total Structure

Abstract The molten alloys Au28.5Mn71.5 and Au68Mn32 are investigated with the energy dispersive X-ray diffraction method which works rather fast so that the evaporation loss of Mn from the molten alloys is kept low. From the observed prepeak follows that both melts are compound-forming but the gold rich melt Au68Mn32 shows only 50% of the short range order existent within the Au28.5Mn71.5 melt. Total structure factors and total pair correlation functions are discussed.

X-Ray and Neutron Diffraction with Amorphous Ti67Si33, V67Si33, and Cr67Si33

1993 ◽  
Vol 48 (7) ◽  
pp. 777-783 ◽  
Author(s):  
A. Präffcke ◽  
P. Lamparter ◽  
S. Steeb
Keyword(s):  
Neutron Diffraction ◽  
Metallic Glasses ◽  
Correlation Functions ◽  
Amorphous Alloys ◽  
Pair Correlation ◽  
X Ray Diffraction ◽  
Neutron Data ◽  
Pair Correlation Functions ◽  
X Ray ◽  
Atomic Diameter

Abstract The amorphous alloys Ti67Si33 , V67Si33 , and Cr67Si33 were produced by sputtering. Their structure was investigated by X-ray and neutron diffraction. X-ray diffraction showed that the structure of the three metallic glasses is not isomorphous. Neutron diffraction showed that Si-Si atomic pairs occur preferentially with distances distinctly larger than the atomic diameter of the Si atoms. For T67Si33 partial pair correlation functions could be evaluated from combination of the X-ray and the neutron data.The structural results are compared with the structure of amorphous Mn74Si23P3 .

X-Ray Investigations on Molten Cu-Sb Alloys

1994 ◽  
Vol 49 (4-5) ◽  
pp. 530-534 ◽  
Author(s):  
Th. Halm ◽  
H. Neumann ◽  
W. Hoyer
Keyword(s):  
Electronic Properties ◽  
Structure Factor ◽  
Correlation Functions ◽  
Pair Correlation ◽  
Model Structure ◽  
X Ray Diffraction ◽  
X Ray ◽  
Structure Factors ◽  
Diffraction Structure ◽  
Eutectic Concentration

Abstract Using X-ray diffraction, structure factors and pair correlation functions of several molten Cu-Sb alloys and pure antimony were determined and compared with published structural, thermodynamic and electronic properties. The eutectic concentration Cu37Sb63 was investigated in dependence on temperature, and a model structure factor was calculated applying a segregation model.

A Molecular Dynamics Study of Aqueous Solutions. VII. Improved Simulation and Comparison with X-Ray Investigations of a NaCl Solution

1977 ◽  
Vol 32 (10) ◽  
pp. 1137-1145 ◽  
Author(s):  
G. Pálinkás ◽  
W. O. Riede ◽  
K. Heinzinger
Keyword(s):  
Molecular Dynamics ◽  
Structure Function ◽  
Correlation Functions ◽  
Pair Correlation ◽  
Chloride Ions ◽  
Dynamics Simulation ◽  
Nacl Solution ◽  
Ewald Summation ◽  
Pair Correlation Functions ◽  
X Ray

The molecular dynamics simulation has been improved by introducing the Ewald summation for ion-ion interactions. On the basis of the Pauling radii new Lennard-Jones parameters have been derived for the halide ions. The results of a simulation of a system consisting of 200 water molecules, 8 sodium and 8 chloride ions are compared with x-ray investigations of a 2 molal NaCl solution through the structure functions. The first neighbor model commonly used in the x-ray analysis of multicomponent liquids is fitted to the experimental structure function and to the structure function calculated from the radial pair correlation functions of the simulation. The parameters of the two fits and the radial pair correlation functions calculated from the fitted first neighbor model are compared. On the basis of this comparison the usefulness and the limitations of the first neighbor model are discussed

Sign in / Sign up

Export Citation Format

Share Document