EXOTIC DEFORMATIONS IN THE ACTINIDE REGION

2006 ◽  
Vol 15 (02) ◽  
pp. 542-547 ◽  
Author(s):  
K. MAZUREK ◽  
N. DUBRAY ◽  
J. DUDEK ◽  
N. SCHUNCK
Keyword(s):  
Total Energy ◽  
Deformation Space ◽  
Tetrahedral Symmetry ◽  
Energy Surfaces

Minimisation of the total nuclear energies in the 5-dimensional deformation space {α20,α22,α30,α32,α40} gives us a possibility to examine more realistically the total energy surfaces in the (β,γ) space but also in the exotic (α30,α32) projections. Basing on those results we have performed also a multi-dimensional calculations in the space of tetrahedral symmetry preserving deformations.

Total energy surfaces in the M-V plane for bcc and fcc cobalt

1986 ◽  
Vol 54-57 ◽  
pp. 955-956 ◽  
Author(s):  
V.L. Moruzzi ◽  
P.M. Marcus ◽  
K. Schwarz ◽  
P. Mohn
Keyword(s):  
Total Energy ◽  
Energy Surfaces

scholarly journals Ab initioDetermination of Total-Energy Surfaces for Distortions of Ferroelectric Perovskite Oxides

2004 ◽  
Vol 43 (9B) ◽  
pp. 6785-6792 ◽  
Author(s):  
Takatoshi Hashimoto ◽  
Takeshi Nishimatsu ◽  
Hiroshi Mizuseki ◽  
Yoshiyuki Kawazoe ◽  
Atsushi Sasaki ◽  
...  
Keyword(s):  
Total Energy ◽  
Perovskite Oxides ◽  
Energy Surfaces ◽  
Ferroelectric Perovskite

scholarly journals Theory of Hydrogen Reactions in Silicon

1987 ◽  
Vol 104 ◽  
Author(s):  
Chris G. Van De Walle ◽  
Y. Bar-Yam ◽  
S. T. Pantelides
Keyword(s):  
Fermi Level ◽  
Total Energy ◽  
First Principles ◽  
Type Material ◽  
Energy Calculations ◽  
And Migration ◽  
The Stability ◽  
Hydrogen Reactions ◽  
Energy Surfaces ◽  
P Type

ABSTRACTWe report first-principles total-energy calculations for H atoms in a Si lattice. Our results for single H atoms are presented in the form of total-energy surfaces, providing immediate insight in stable positions and migration paths. We examine the stability of different charge states (H+, H0, H−) as a function of Fermi-level position, and its impli-cations for H diffusion in p-type vs. n-type material. The results are used to scrutinize and supplement existing understanding of experimental observations. We also study the co-operative interactions of several H atoms, and propose a novel mechanism for H-induced damage.

FISSION POTENTIAL ENERGY SURFACES IN TEN-DIMENSIONAL DEFORMATION SPACE

2009 ◽  
Vol 18 (04) ◽  
pp. 907-913 ◽  
Author(s):  
V. PASHKEVICH ◽  
Y. PYATKOV ◽  
A. UNZHAKOVA
Keyword(s):  
Potential Energy ◽  
Potential Energy Surface ◽  
Potential Energy Surfaces ◽  
Energy Surface ◽  
Correction Method ◽  
Shell Correction ◽  
Deformation Space ◽  
Complete Deformation ◽  
Energy Surfaces ◽  
Cold Fission

Various fission processes are described in terms of high-dimensional potential energy surface in the frame of the Strutinsky shell correction method for actinide region. The complete deformation space is necessary to study the potential energy minima responsible for the cluster radioactivity, cold fission and cold multi-fragmentation valleys. The nuclear shape families for the different fission configurations are obtained without any specific change of the parameters. The coordinate system based on the Cassini ovaloids makes it possible to increase the number of independent deformation parameters without divergence. The higher orders of the deformation are shown to play an important role in the description of the potential energy surface structure.

The Entropy of Defects and Diffusion in Silicon

1985 ◽  
Vol 46 ◽  
Author(s):  
Y. Bar-Yam ◽  
J. D. Joannopoulos
Keyword(s):  
High Temperature ◽  
Total Energy ◽  
Finite Temperature ◽  
Energy Surface ◽  
Diffusion Rate ◽  
Theoretical Calculations ◽  
Energy Calculations ◽  
Temperature Diffusion ◽  
Energy Surfaces ◽  
And Diffusion

AbstractTheoretical calculations of the finite temperature properties of defects, such as defect concentration and diffusion rate, require a knowledge of the entire 3N-dimensional defect total energy surface. We present a formalism for obtaining such defect energy surfaces from total energy calculations. Preliminary results of the application of this formalism to the silicon selfinterstitial are described. Implications for understanding the remarkable experimental high temperature diffusion entropies are discussed.

TEST OF TETRAHEDRAL SYMMETRY FOR HEAVY AND SUPERHEAVY NUCLEI

2011 ◽  
Vol 20 (02) ◽  
pp. 514-519 ◽  
Author(s):  
P. JACHIMOWICZ ◽  
P. ROZMEJ ◽  
M. KOWAL ◽  
J. SKALSKI ◽  
A. SOBICZEWSKI
Keyword(s):  
Potential Energy ◽  
Ground State ◽  
Potential Energy Surfaces ◽  
Superheavy Nuclei ◽  
Dimensional Manifold ◽  
Microscopic Method ◽  
Tetrahedral Symmetry ◽  
Heavy And Superheavy Nuclei ◽  
Quantum Objects ◽  
Energy Surfaces

In the recent years an interesting suggestion has been made that nucleus, like many other quantum objects, can have tetrahedral shape at the ground state. We test this hypothesis within the macroscopic-microscopic method, by using a 12 dimensional manifold of shapes, including: axial, nonaxial and reflection-asymmetric ones. We systematically calculate potential energy surfaces for even-even heavy and superheavy nuclei in the range of proton numbers 82 ≤ Z ≤ 128 and neutron numbers 98 ≤ N ≤ 194. We find that in the whole region of the investigated superheavy nuclei, tetrahedral symmetry does not play a significant role at the ground state.

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