Cohesive Energy and Compressibility of Body‐Centered Cubic Sodium

1970 ◽  
Vol 52 (9) ◽  
pp. 4467-4468 ◽  
Author(s):  
J. S. Brown
Keyword(s):  
Cohesive Energy ◽  
Body Centered Cubic

An effective ion–ion potential for sodium

1970 ◽  
Vol 48 (12) ◽  
pp. 1480-1489 ◽  
Author(s):  
Z. S. Basinski ◽  
M. S. Duesbery ◽  
A. P. Pogany ◽  
Roger Taylor ◽  
Y. P. Varshni
Keyword(s):  
Matrix Element ◽  
Plane Wave ◽  
Excellent Agreement ◽  
Elastic Constants ◽  
Cohesive Energy ◽  
Electron Gas ◽  
Body Centered Cubic ◽  
Specific Heats ◽  
Ion Separation ◽  
Atomic Properties

The effective ion–ion interaction for sodium is calculated from a fundamental basis, using a one-orthogonalized plane wave (OPW) bare electron – ion matrix element, and the Geldart and Taylor electron gas screening function. Particular attention is paid to the form of the interaction for asymptotically large ion–ion separation, and it is shown that this interaction varies approximately as the fifth power of the ion–ion separation in the region in which the amplitude of the potential is appreciable. The elastic constants, cohesive energy, and the specific heats of body-centered cubic (b.c.c.) and close-packed sodium are shown to be in excellent agreement with experiment. The equilibrium and stability of the model sodium lattice described by the proposed potential are discussed, and it is concluded that the potential can be used tentatively in a fundamental calculation of atomic properties of defects.

Voids in Irradiated Tungsten and Molybdenum

1969 ◽  
Vol 27 ◽  
pp. 190-191
Author(s):  
Robert C. Rau ◽  
Robert L. Ladd
Keyword(s):  
Melting Point ◽  
Fast Neutron ◽  
Neutron Irradiation ◽  
Elevated Temperatures ◽  
Irradiation Temperature ◽  
The Body ◽  
Face Centered Cubic ◽  
Body Centered Cubic ◽  
Cubic Metals ◽  
Face Centered

Recent studies have shown the presence of voids in several face-centered cubic metals after neutron irradiation at elevated temperatures. These voids were found when the irradiation temperature was above 0.3 Tm where Tm is the absolute melting point, and were ascribed to the agglomeration of lattice vacancies resulting from fast neutron generated displacement cascades. The present paper reports the existence of similar voids in the body-centered cubic metals tungsten and molybdenum.

Supramolecular Assembly of U(IV) Clusters and Superatoms

2020 ◽  
Author(s):  
Ian Colliard ◽  
Gregory Morrosin ◽  
Hans-Conrad zur Loye ◽  
May Nyman
Keyword(s):  
Quantum Dots ◽  
Supramolecular Assembly ◽  
Emergent Properties ◽  
Organic Media ◽  
Body Centered Cubic ◽  
Cluster Anions ◽  
Charge Balance ◽  
Interpenetrating Networks ◽  
Hierarchical Assembly ◽  
Two Parameters

Superatoms are nanometer-sized molecules or particles that can form ordered lattices, mimicking their atomic counterparts. Hierarchical assembly of superatoms gives rise to emergent properties in superlattices of quantum-dots, p-block clusters, and fullerenes. Here, we introduce a family of uranium-oxysulfate cluster anions whose hierarchical assembly in water is controlled by two parameters; acidity and the countercation. In acid, larger Ln<sup>III</sup> (Ln=La-Ho) link hexamer (U<sub>6</sub>) oxoclusters into body-centered cubic frameworks, while smaller Ln<sup>III</sup> (Ln=Er-Lu &Y) promote linking of fourteen U<sub>6</sub>-clusters into hollow superclusters (U<sub>84</sub> superatoms). U<sub>84</sub> assembles into superlattices including cubic-closest packed, body-centered cubic, and interpenetrating networks, bridged by interstitial countercations, and U<sub>6</sub>-clusters. Divalent transition metals (TM=Mn<sup>II </sup>and Zn<sup>II</sup>), with no added acid, charge-balance and promote the fusion of 10 U<sub>6</sub> and 10 U-monomers into a wheel–shaped cluster (U<sub>70</sub>). Dissolution of U<sub>70</sub> in organic media reveals (by small-angle Xray scattering) that differing supramolecular assemblies are accessed, controlled by TM-linking of U<sub>70</sub>-clusters. <br>

scholarly journals Irradiation Behaviors in BCC Multi-Component Alloys with Different Lattice Distortions

Metals ◽  
2021 ◽  
Vol 11 (5) ◽  
pp. 706
Author(s):  
Yue Su ◽  
Songqin Xia ◽  
Jia Huang ◽  
Qingyuan Liu ◽  
Haocheng Liu ◽  
...  
Keyword(s):  
Single Phase ◽  
Vacuum Arc ◽  
Face Centered Cubic ◽  
Body Centered Cubic ◽  
Chemical Complexity ◽  
Arc Melting ◽  
Vacuum Arc Melting ◽  
Lattice Distortions ◽  
Face Centered ◽  
Displacement Per Atom

Recently, the irradiation behaviors of multi-component alloys have stimulated an increasing interest due to their ability to suppress the growth of irradiation defects, though the mostly studied alloys are limited to face centered cubic (fcc) structured multi-component alloys. In this work, two single-phase body centered cubic (bcc) structured multi-component alloys (CrFeV, AlCrFeV) with different lattice distortions were prepared by vacuum arc melting, and the reference of α-Fe was also prepared. After 6 MeV Au ions irradiation to over 100 dpa (displacement per atom) at 500 °C, the bcc structured CrFeV and AlCrFeV exhibited significantly improved irradiation swelling resistance compared to α-Fe, especially AlCrFeV. The AlCrFeV alloy possesses superior swelling resistance, showing no voids compared to α-Fe and CrFeV alloy, and scarce irradiation softening appears in AlCrFeV. Owing to their chemical complexity, it is believed that the multi-component alloys under irradiation have more defect recombination and less damage accumulation. Accordingly, we discuss the origin of irradiation resistance and the Al effect in the studied bcc structured multi-component alloys.

scholarly journals B2 ordering in body-centered-cubic AlNbTiV refractory high-entropy alloys

2021 ◽  
Vol 5 (5) ◽  
Author(s):  
Fritz Körmann ◽  
Tatiana Kostiuchenko ◽  
Alexander Shapeev ◽  
Jörg Neugebauer
Keyword(s):  
High Entropy Alloys ◽  
Body Centered Cubic ◽  
High Entropy

Packungsdichte und Wertigkeit von Lithium und Natrium unter Druck / Packing Density and Valence of Lithium and Sodium under Pressure

2005 ◽  
Vol 60 (2) ◽  
pp. 139-142 ◽  
Author(s):  
Martin Trömel ◽  
Karlheinz Taxer
Keyword(s):  
Packing Density ◽  
Linear Increase ◽  
Body Centered Cubic ◽  
Volume Changes

The volume changes of lithium and sodium under pressure are discussed with respect to the packing density of the atoms and their valence. In densely packed Li I (bcc), Li II (fcc), and Li III (α-Hg type), valence increases from 1 at ≈ 5 GPa to ≈ 2.5 at 40 GPa. The maximum valence 3 is attained in Li IV (body-centered cubic, 16 atoms per cell, packing density q = 0.965) at 47 GPa. In densely packed Na I (bcc) a linear increase of valence from 1 at ≈ 10 GPa to 2.9 at 65 GPa is found which continues in Na II (fcc) up to 4.1 at 103 GPa.

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