Effect of Solutes on Phase Stability in A13 Nb

1988 ◽  
Vol 133 ◽  
Author(s):  
P. R. Subramanian ◽  
J. P. Simmons ◽  
M. G. Mendiratta ◽  
D. M. Dimiduk
Keyword(s):  
Transition Metal ◽  
Plastic Flow ◽  
Structural Stability ◽  
Phase Stability ◽  
Phase Relationship

ABSTRACTAlloying transition metal trialuminides such as Al3Nb with appropriate ternary elements may stabilize the ordered cubic Ll2 structure relative to the DO22 structure. This may enhance the symmetry related contributions to plastic flow, thereby aiding in overcoming the low ductility in the trialuminide systems. The present investigation was directed towards exploring the potential for obtaining new ternary Al3Nb-based intermetallics with the Ll2 structure. The effects of various ternary elements on the phase stability of A13Nb were studied by SEM, XRD, and EPMA. Results of the A13 Nb-X phase relationship studies are presented. Preliminary microhardness results on the ternary DO22 Al3Nb-X phases are also reported. The predictive capabilities of Pettifor's structural stability scheme are evaluated in the light of the present investigation.

scholarly journals Phase stability and elasticity of C15 transition-metal intermetallic compounds

1997 ◽  
Vol 18 (6) ◽  
pp. 536-543 ◽  
Author(s):  
F. Chu ◽  
T. E. Mitchell ◽  
S. P. Chen ◽  
M. Sob ◽  
R. Siegl ◽  
...  
Keyword(s):  
Transition Metal ◽  
Intermetallic Compounds ◽  
Phase Stability

Size-dependent phase stability in transition metal dichalcogenide nanoparticles controlled by metal substrates

Nanoscale ◽  
2021 ◽  
Author(s):  
Albert Bruix ◽  
Jeppe Vang Lauritsen ◽  
Bjork Hammer
Keyword(s):  
Transition Metal ◽  
Hydrogen Evolution ◽  
Hydrogen Evolution Reaction ◽  
Phase Stability ◽  
Transition Metal Dichalcogenides ◽  
Transition Metal Dichalcogenide ◽  
Metal Substrates ◽  
Size Dependent ◽  
Metal Dichalcogenides

Nanomaterials based on MoS2 and related transition metal dichalcogenides are remarkably versatile; MoS2 nanoparticles are proven catalysts for processes such as hydrodesulphurization and the hydrogen evolution reaction, and transition metal...

Phase stability of transition metal dichalcogenide by competing ligand field stabilization and charge density wave

2D Materials ◽  
2015 ◽  
Vol 2 (3) ◽  
pp. 035019 ◽  
Author(s):  
Santosh K C ◽  
Chenxi Zhang ◽  
Suklyun Hong ◽  
Robert M Wallace ◽  
Kyeongjae Cho
Keyword(s):  
Transition Metal ◽  
Charge Density ◽  
Phase Stability ◽  
Charge Density Wave ◽  
Density Wave ◽  
Ligand Field ◽  
Transition Metal Dichalcogenide

Metal Dichalcogenide Nanomeshes: Structural, Electronic and Magnetic Properties

2021 ◽  
Author(s):  
Mohamed Helal ◽  
H. M. El-Sayed ◽  
Ahmed A Maarouf ◽  
Mohamed Fadlallah
Keyword(s):  
Density Functional Theory ◽  
Magnetic Properties ◽  
Transition Metal ◽  
Structural Stability ◽  
Density Functional ◽  
Transition Metal Dichalcogenides ◽  
Two Dimensional ◽  
Functional Theory ◽  
Electronic And Magnetic Properties ◽  
Metal Dichalcogenides

Motivated by the successful preparation of two-dimensional transition metal dichalcogenides (2D- TMDs) nanomeshes in the last three years, we use density functional theory (DFT) to study the structural stability, mechanical,...

scholarly journals Phase Stability and Magnetic Properties of Mn3Z (Z = Al, Ga, In, Tl, Ge, Sn, Pb) Heusler Alloys

2019 ◽  
Vol 9 (5) ◽  
pp. 964 ◽  
Author(s):  
Haopeng Zhang ◽  
Wenbin Liu ◽  
Tingting Lin ◽  
Wenhong Wang ◽  
Guodong Liu
Keyword(s):  
Magnetic Properties ◽  
Structural Stability ◽  
Phase Stability ◽  
First Principles ◽  
Magnetic Moments ◽  
Heusler Alloys ◽  
Atomic Radius ◽  
Tetragonal Distortion ◽  
Stable Phase ◽  
First Principles Calculations

The structural stability and magnetic properties of the cubic and tetragonal phases of Mn3Z (Z = Ga, In, Tl, Ge, Sn, Pb) Heusler alloys are studied by using first-principles calculations. It is found that with the increasing of the atomic radius of Z atom, the more stable phase varies from the cubic to the tetragonal structure. With increasing tetragonal distortion, the magnetic moments of Mn (A/C and B) atoms change in a regular way, which can be traced back to the change of the relative distance and the covalent hybridization between the atoms.

Bandfilling and structural stability of trialuminides: YAl3, ZrAl3, and NbAl3

1991 ◽  
Vol 6 (6) ◽  
pp. 1188-1199 ◽  
Author(s):  
Jian-hua Xu ◽  
A.J. Freeman
Keyword(s):  
Transition Metal ◽  
Structural Stability ◽  
Electronic Structures ◽  
Local Density ◽  
Metal Carbides ◽  
Metal Compounds ◽  
Cohesive Properties ◽  
Valence Electrons ◽  
Stable Forms ◽  
Covalent Interactions

The cohesive properties and electronic structures versus the structural stability of transition-metal trialuminides YAl3, ZrAl3, and NbAl3 in their cubic L12, tetragonal DO22, and naturally stable forms (i.e., the DO19 structure for YAl3 and the DO23 structure for ZrAl3) have been investigated using a total energy local-density approach. The variation of structural stability with transition-metal constituent can be simply understood in terms of the bandfilling of the bonding states in the rigid band sense, with the valence electrons gradually filling the bonding states on going from YAl3, ZrAl3 to NbAl3. This leads to a phase transition from the cubic L12 structure (for YAl3) to the tetragonal DO22 structure (for NbAl3). It is argued that this criterion may also apply to explain the variation of the structural stability of other transition-metal compounds (such as transition-metal carbides, nitrides, silicides, etc.) that are dominated by covalent interactions between the transition-metal d and the metalloid p states.

On the phase stability of transition metal trialuminide compounds

1995 ◽  
Vol 3 (1) ◽  
pp. 9-14 ◽  
Author(s):  
D.Nguyen Manh ◽  
A.T. Paxton ◽  
D.G. Pettifor ◽  
A. Pasturel
Keyword(s):  
Transition Metal ◽  
Phase Stability
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