Role of Thermal Expansion and Redistribution of Components on the Temperature Dependence of the Lattice Misfit in γ/γ' Superalloys

2006 ◽  
Vol 980 ◽  
Author(s):  
Oleg Kontsevoi ◽  
Yuri N. Gornostyrev ◽  
Arthur J. Freeman
Keyword(s):  
Thermal Expansion ◽  
Ab Initio Calculations ◽  
Ab Initio ◽  
Temperature Dependence ◽  
Temperature Region ◽  
Lattice Misfit ◽  
Slight Variation ◽  
Relative Role ◽  
The Difference

AbstractThe relative role of thermal expansion and redistribution of alloy components in the temperature dependence of the lattice misfit in γ/γ' alloys is investigated on the basis of ab initio calculations. We show that in a wide temperature region up to approximately 0.6·Tmelt, the lattice misfit is determined by the difference in thermal expansion of γ and γ' phases and shows only a slight variation. For higher temperatures the redistribution of the major alloy components between the phases becomes a leading contribution to the lattice misfit.

scholarly journals Three-nucleon forces

2014 ◽  
Vol 23 (09) ◽  
pp. 1430015 ◽  
Author(s):  
Peter U. Sauer
Keyword(s):  
Ab Initio Calculations ◽  
Ab Initio ◽  
Body Problem ◽  
Many Body ◽  
Nuclear Systems ◽  
The Difference

In this paper, the role of three-nucleon forces in ab initio calculations of nuclear systems is investigated. The difference between genuine and induced many-nucleon forces is emphasized. Induced forces arise in the process of solving the nuclear many-body problem as technical intermediaries toward calculationally converged results. Genuine forces make up the Hamiltonian. They represent the chosen underlying dynamics. The hierarchy of contributions arising from genuine two-, three- and many-nucleon forces is discussed. Signals for the need of the inclusion of genuine three-nucleon forces are studied in nuclear systems, technically best under control, especially in three-nucleon and four-nucleon systems. Genuine three-nucleon forces are important for details in the description of some observables. Their contributions to observables are small on the scale set by two-nucleon forces.

Negative Thermal Expansion Properties and the Role of Guest Alkali Atoms in LnFe(CN)6 (Ln = Y, La) from ab Initio Calculations

2018 ◽  
Vol 122 (23) ◽  
pp. 12421-12427 ◽  
Author(s):  
Dahu Chang ◽  
Changqing Wang ◽  
Zaiping Zeng ◽  
Chunyan Wang ◽  
Fei Wang ◽  
...  
Keyword(s):  
Thermal Expansion ◽  
Ab Initio Calculations ◽  
Ab Initio ◽  
Negative Thermal Expansion ◽  
Alkali Atoms

The role of thermal expansion and composition changes in the temperature dependence of the lattice misfit in two-phase γ/γ′ superalloys

2007 ◽  
Vol 56 (2) ◽  
pp. 81-84 ◽  
Author(s):  
Yu.N. Gornostyrev ◽  
O.Yu. Kontsevoi ◽  
K.Yu. Khromov ◽  
M.I. Katsnelson ◽  
A.J. Freeman
Keyword(s):  
Thermal Expansion ◽  
Temperature Dependence ◽  
Lattice Misfit ◽  
Two Phase ◽  
Composition Changes

Role of silicon vacancies in yttrium-disilicide compounds from ab initio calculations

1997 ◽  
Vol 55 (20) ◽  
pp. 13479-13484 ◽  
Author(s):  
L. Magaud ◽  
A. Pasturel ◽  
G. Kresse ◽  
J. Hafner
Keyword(s):  
Ab Initio Calculations ◽  
Ab Initio

High-pressure thermo-elastic properties of beryl (Al4Be6Si12O36) from ab initio calculations, and observations about the source of thermal expansion

2010 ◽  
Vol 38 (3) ◽  
pp. 223-239 ◽  
Author(s):  
Mauro Prencipe ◽  
Isacco Scanavino ◽  
Fabrizio Nestola ◽  
Marco Merlini ◽  
Bartolomeo Civalleri ◽  
...  
Keyword(s):  
High Pressure ◽  
Thermal Expansion ◽  
Ab Initio Calculations ◽  
Ab Initio ◽  
Elastic Properties
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