scholarly journals Wide-angle X-ray diffraction and molecular dynamics study of medium-range order in ambient and hot water

2011 ◽  
Vol 13 (44) ◽  
pp. 19997 ◽  
Author(s):  
Congcong Huang ◽  
K. T. Wikfeldt ◽  
D. Nordlund ◽  
U. Bergmann ◽  
T. McQueen ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Range Order ◽  
Hot Water ◽  
Wide Angle ◽  
X Ray Diffraction ◽  
Medium Range Order ◽  
X Ray ◽  
Medium Range

scholarly journals Changes in the medium-range order during crystallization of aluminosilicate zeolites characterized by high-energy X-ray diffraction technique

2009 ◽  
Vol 117 (1363) ◽  
pp. 277-282 ◽  
Author(s):  
Toru WAKIHARA ◽  
Yasuhiro SUZUKI ◽  
Wei FAN ◽  
Seijiro SAITO ◽  
Shinji KOHARA ◽  
...  
Keyword(s):  
High Energy ◽  
Range Order ◽  
X Ray Diffraction ◽  
Medium Range Order ◽  
X Ray ◽  
Medium Range

scholarly journals Short and Medium-Range Order in Liquid Ternary Al80Co10Ni10, Al72.5Co14.5Ni13, and Al65Co17.5Ni17.5 Alloys

2010 ◽  
Vol 65 (1-2) ◽  
pp. 123-131 ◽  
Author(s):  
Oleksandr S. Roik ◽  
Oleksiy Samsonnikov ◽  
Volodymyr Kazimirov ◽  
Volodymyr Sokolskii
Keyword(s):  
Three Dimensional ◽  
Range Order ◽  
Ternary Alloys ◽  
X Ray Diffraction ◽  
Medium Range Order ◽  
Intermediate Range Order ◽  
Transition Metal Atoms ◽  
Medium Range ◽  
Three Dimensional Models ◽  
Co Alloys

AbstractA local short-to-intermediate range order of liquid Al80Co10Ni10, Al72.5Co14.5Ni13, and Al65Co17.5Ni17.5 alloys was examined by X-ray diffraction and the reverse Monte Carlo modelling. The comprehensive analysis of three-dimensional models of the liquid ternary alloys was performed by means of the Voronoi-Delaunay method. The existence of a prepeak on the S(Q) function of the liquid alloys is caused by medium range ordering of 3d-transition metal atoms in dense-packed polytetrahedral clusters at temperatures close to the liquidus. The non-crystalline clusters, represented by aggregates of pentagons that consist of good tetrahedra, and chemical short-range order lead to the formation of the medium range order in the liquid binary Al-Ni, Al-Co and ternary Al-Ni-Co alloys.

Medium-Range Order of Amorphous Silicon Germanium Alloys: Small-Angle X-Ray Scattering Study

1989 ◽  
Vol 28 (Part 2, No. 7) ◽  
pp. L1092-L1095 ◽  
Author(s):  
Shin-ichi Muramatsu ◽  
Toshikazu Shimada ◽  
Hiroshi Kajiyama ◽  
Kazufumi Azuma ◽  
Takeshi Watanabe ◽  
...  
Keyword(s):  
Amorphous Silicon ◽  
Small Angle ◽  
Silicon Germanium ◽  
Range Order ◽  
Medium Range Order ◽  
X Ray ◽  
X Ray Scattering ◽  
Medium Range ◽  
Scattering Study ◽  
Amorphous Silicon Germanium

scholarly journals Temperature dependence of amorphous magnesium carbonate structure studied by PDF and XAFS analyses

2021 ◽  
Vol 11 (1) ◽  
Author(s):  
Gen-ichiro Yamamoto ◽  
Atsushi Kyono ◽  
Satoru Okada
Keyword(s):  
Temperature Dependence ◽  
Three Dimensional ◽  
Magnesium Carbonate ◽  
Range Order ◽  
Edge Structure ◽  
Medium Range Order ◽  
X Ray ◽  
Medium Range ◽  
Mineral Trapping ◽  
X Ray Absorption

AbstractMineral trapping through the precipitation of carbonate minerals is a potential approach to reduce CO2 accumulation in the atmosphere. The temperature dependence of amorphous magnesium carbonate (AMC), a precursor of crystalline magnesium carbonate hydrates, was investigated using synchrotron X-ray scattering experiments with atomic pair distribution function (PDF) and X-ray absorption fine structure analysis. PDF analysis revealed that there were no substantial structural differences among the AMC samples synthesized at 20, 60, and 80 °C. In addition, the medium-range order of all three AMC samples was very similar to that of hydromagnesite. Stirring in aqueous solution at room temperature caused the AMC sample to hydrate immediately and form a three-dimensional hydrogen-bonding network. Consequently, it crystallized with the long-range structural order of nesquehonite. The Mg K-edge X-ray absorption near-edge structure spectrum of AMC prepared at 20 °C was very similar to that of nesquehonite, implying that the electronic structure and coordination geometry of Mg atoms in AMC synthesized at 20 °C are highly similar to those in nesquehonite. Therefore, the short-range order (coordination environment) around the Mg atoms was slightly modified with temperature, but the medium-range order of AMC remained unchanged between 20 and 80 °C.

The impact of chemical structure on the formation of the medium-range order and dynamical properties of selected antifungal APIs

2020 ◽  
Vol 22 (48) ◽  
pp. 28202-28212 ◽  
Author(s):  
Dawid Heczko ◽  
Karolina Jurkiewicz ◽  
Magdalena Tarnacka ◽  
Joanna Grelska ◽  
Roman Wrzalik ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Chemical Structure ◽  
Range Order ◽  
Medium Range Order ◽  
Medium Range ◽  
Dynamical Properties ◽  
The Impact

Small variations in the chemical structure affect the formation of the medium-range order and molecular dynamics in antifungal pharmaceuticals.

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