scholarly journals X-ray Diffraction, Lattice Structure, and Equation of State of PdHx and PdDx to Megabar Pressures

2017 ◽  
Vol 121 (49) ◽  
pp. 27327-27331 ◽  
Author(s):  
Keenan Brownsberger ◽  
Muhtar Ahart ◽  
Maddury Somayazulu ◽  
Changyong Park ◽  
Stephen A. Gramsch ◽  
...  
2005 ◽  
Vol 66 (5) ◽  
pp. 706-710 ◽  
Author(s):  
G.A. Voronin ◽  
C. Pantea ◽  
T.W. Zerda ◽  
L. Wang ◽  
Y. Zhao

Minerals ◽  
2020 ◽  
Vol 10 (3) ◽  
pp. 212
Author(s):  
Richard L. Rowland ◽  
Barbara Lavina ◽  
Kathleen E. Vander Kaaden ◽  
Lisa R. Danielson ◽  
Pamela C. Burnley

Understanding basic material properties of rare earth element (REE) bearing minerals such as their phase stability and equations of state can assist in understanding how economically viable deposits might form. Bastnäsite is the most commonly mined REE bearing mineral. We synthesized the lanthanum-fluoride end member, bastnäsite-(La) (LaCO3F), and investigated its thermal behavior and decomposition products from 298 K to 1173 K under ambient pressure conditions through thermogravimetric analysis, differential scanning calorimetry, evolved gas analysis, and high temperature powder X-ray diffraction. We also investigated the compressibility of bastnäsite-(La) via single crystal X-ray diffraction in diamond anvil cells at an ambient temperature up to 11.3 GPa and from 4.9 GPa to 7.7 GPa up to 673 K. At ambient pressure, bastnäsite-(La) was stable up to 598 K in air, where it decomposed into CO2 and tetragonal γ-LaOF. Above 948 K, cubic α-LaOF is stable. High temperature X-ray diffraction data were used to fit the Fei thermal equation of state and the thermal expansion coefficient α298 for all three materials. Bastnäsite-(La) was fit from 298 K to 723 K with V0 = 439.82 Å3, α298 = 4.32 × 10−5 K−1, a0 = −1.68 × 10−5 K−1, a1 = 8.34 × 10−8 K−1, and a2 = 3.126 K−1. Tetragonal γ-LaOF was fit from 723 K to 948 K with V0 = 96.51 Å3, α298 = 2.95×10−4 K−1, a0 = −2.41×10−5 K−1, a1 = 2.42×10−7 K−1, and a2 = 41.147 K−1. Cubic α-LaOF was fit from 973 K to 1123 K with V0 = 190.71 Å3, α298 = −1.12×10−5 K−1, a0 = 2.36×10−4 K−1, a1 = −1.73 × 10−7 K−1, and a2 = −17.362 K−1. An ambient temperature third order Birch–Murnaghan equation of state was fit with V0 = 439.82 Å3, K0 = 105 GPa, and K’ = 5.58.


2019 ◽  
Vol 9 (1) ◽  
Author(s):  
Simone Anzellini ◽  
Michael T. Wharmby ◽  
Francesca Miozzi ◽  
Annette Kleppe ◽  
Dominik Daisenberger ◽  
...  

Abstract The isothermal equation of state of silicon has been determined by synchrotron x-ray diffraction experiments up to 105.2 GPa at room temperature using diamond anvil cells. A He-pressure medium was used to minimize the effect of uniaxial stress on the sample volume and ruby, gold and tungsten pressure gauges were used. Seven different phases of silicon have been observed along the experimental conditions covered in the present study.


Crystals ◽  
2020 ◽  
Vol 10 (10) ◽  
pp. 910
Author(s):  
Daniel Diaz-Anichtchenko ◽  
Robin Turnbull ◽  
Enrico Bandiello ◽  
Simone Anzellini ◽  
Daniel Errandonea

We report on high-pressure synchrotron X-ray diffraction measurements on Ni3V2O8 at room-temperature up to 23 GPa. According to this study, the ambient-pressure orthorhombic structure remains stable up to the highest pressure reached in the experiments. We have also obtained the pressure dependence of the unit-cell parameters, which reveals an anisotropic compression behavior. In addition, a room-temperature pressure–volume third-order Birch–Murnaghan equation of state has been obtained with parameters: V0 = 555.7(2) Å3, K0 = 139(3) GPa, and K0′ = 4.4(3). According to this result, Ni3V2O8 is the least compressible kagome-type vanadate. The changes of the crystal structure under compression have been related to the presence of a chain of edge-sharing NiO6 octahedral units forming kagome staircases interconnected by VO4 rigid tetrahedral units. The reported results are discussed in comparison with high-pressure X-ray diffraction results from isostructural Zn3V2O8 and density-functional theory calculations on several isostructural vanadates.


2011 ◽  
Vol 681 ◽  
pp. 97-102 ◽  
Author(s):  
Sylvain Fréour ◽  
Emmanuel Lacoste ◽  
Manuel François ◽  
Ronald Guillén

The scope of this work is the determination of single-crystals elastic constants (SEC) from X-ray diffraction lattice strains measurements performed on multi-phase polycrystals submitted to mechanical load through a bending device. An explicit three scales inverse self-consistent model is developed in order to express the SEC of a cubic phase, embedded in a multi-phase polycrystal, as a function of its X-ray Elasticity Constants. Finally, it is applied to a two-phases (α+β) titanium based alloy (Ti-17), in order to estimate Ti-17 β-phase unknown SEC. The purpose of the present work is to account the proper microstructure of the material. In particular, the morphologic texture of Ti-17 a-phase, i.e. the relative disorientation of the needle-shaped grains constituting this phase, is considered owing to the so-called Generalized Self-Consistent model.


2006 ◽  
Vol 99 (2) ◽  
pp. 023522 ◽  
Author(s):  
George M. Amulele ◽  
Murli H. Manghnani ◽  
Maddury Somayazulu

1997 ◽  
Vol 499 ◽  
Author(s):  
Allen C. Ho ◽  
Maurice K. Granger ◽  
Arthur L. Ruoff

ABSTRACTThe equation of state (EOS) of Li3N has been determined by energy-dispersive x-ray diffraction (EDXD) using synchrotron radiation up to 35 GPa at ambient temperature. Both the hexagonal D6h4(P63/mmc) and the hexagonal D6h1(P6/mmm) phases were present at ambient pressure. The D6h1 -structure completely transforms into the D6h4 -structure at modest pressure. The change in Gibb's free energy as a function of pressure for Li3N was calculated using the experimental EOS.


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