Full Potential KKR: Applicability to Simulated Annealing Model

1992 ◽  
pp. 177-185 ◽  
Author(s):  
H. Akai ◽  
B. Drittler ◽  
P. H. Dederichs
Keyword(s):  
Simulated Annealing ◽  
Full Potential ◽  
Full Potential Kkr

Total-energy calculations with the full-potential KKR method

1998 ◽  
Vol 78 (5-6) ◽  
pp. 417-422 ◽  
Author(s):  
R. Zeller ◽  
M. Asato ◽  
T. Hoshino ◽  
J. Zabloudil ◽  
P. Weinberger ◽  
...  
Keyword(s):  
Total Energy ◽  
Full Potential ◽  
Energy Calculations ◽  
Full Potential Kkr

scholarly journals Full-potential KKR calculations for metals and semiconductors

1999 ◽  
Vol 60 (8) ◽  
pp. 5202-5210 ◽  
Author(s):  
M. Asato ◽  
A. Settels ◽  
T. Hoshino ◽  
T. Asada ◽  
S. Blügel ◽  
...  
Keyword(s):  
Full Potential ◽  
Full Potential Kkr

A Comparison of Genetic Algorithm, Particle Swarm Optimization and Simulated Annealing in Real-Time Task Scheduling on CMP

2013 ◽  
Vol 679 ◽  
pp. 77-81 ◽  
Author(s):  
Song Chai ◽  
Yu Bai Li ◽  
Chang Wu ◽  
Jian Wang
Keyword(s):  
Genetic Algorithm ◽  
Particle Swarm Optimization ◽  
Simulated Annealing ◽  
Real Time ◽  
Schedule Problem ◽  
Particle Swarm ◽  
Full Potential ◽  
Swarm Optimization ◽  
Task Schedule ◽  
Time Task

Real-time task schedule problem in Chip-Multiprocessor (CMP) receives wide attention in recent years. It is partly because the increasing demand for CMP solutions call for better schedule algorithm to exploit the full potential of hardware, and partly because of the complexity of schedule problem, which itself is an NP-hard problem. To address this task schedule problem, various of heuristics have been studied, among which, Genetic Algorithm (GA), Particle Swarm Optimization (PSO) and Simulated Annealing (SA) are the most popular ones. In this paper, we implement these 3 schedule heuristics, and compare their performance under the context of real-time tasks scheduling on CMP. According to the results of our intensive simulations, PSO has the best fitness optimization of these 3 algorithms, and SA is the most efficient algorithm.

scholarly journals Real Space Cluster Expansion for Total Energies of Pd-Rich PdX (X = Rh, Ru) Alloys, Based on Full-Potential KKR Calculations: An Approach from a Dilute Limit

2018 ◽  
Vol 59 (11) ◽  
pp. 1669-1676 ◽  
Author(s):  
Chang Liu ◽  
Mitsuhiro Asato ◽  
Nobuhisa Fujima ◽  
Toshiharu Hoshino ◽  
Ying Chen ◽  
...  
Keyword(s):  
Cluster Expansion ◽  
Real Space ◽  
Full Potential ◽  
Total Energies ◽  
Dilute Limit ◽  
Full Potential Kkr

scholarly journals Accuracy of Real Space Cluster Expansion for Total Energies of Pd-rich PdX (X=Rh, Ru) Alloys, based on Full-Potential KKR Calculations for Perfect and Impurity Systems

2019 ◽  
Vol 264 ◽  
pp. 03002 ◽  
Author(s):  
Mitsuhiro Asato ◽  
Chang Liu ◽  
Nobuhisa Fujima ◽  
Toshiharu Hoshino ◽  
Ying Chen ◽  
...  
Keyword(s):  
Cluster Expansion ◽  
Density Functional ◽  
Minor Element ◽  
Real Space ◽  
Full Potential ◽  
Generalized Gradient ◽  
Functional Theory ◽  
The Density Functional Theory ◽  
Total Energies ◽  
Full Potential Kkr

We study the accuracy and convergence of the real space cluster expansion (RSCE) for the total energies of the Pd-rich PdX (X=Ru, Rh) alloys, which are used to study the phase stability and phase equilibria of the Pd-rich PdX alloys. In the present RSCE, the X atoms of minor element are treated as impurities in Pd. The n-body interaction energies (IEs) among X impurities in Pd, being used in the expansion of the total energies of the Pd-rich PdX alloys, are determined uniquely and successively from the low body to high body, by the full-potential Korringa-Kohn-Rostoker (FPKKR) Green's function method (FPKKR) for the perfect and impurity systems (Pd-host and Xn in Pd, n=1~4), combined with the generalized gradient approximation in the density functional theory. In the previous paper, we showed that the RSCE, in which the perturbed potentials due to the insertion of Xn impurities in Pd were redetermined self-consistently up to the first-nearest neighboring (nn) host atoms around Xn impurities, reproduce fairly well (the error of ~ 0.2mRy per atom) the FPKKR-band-calculation result of the ordered Pd3Rh alloy in L12 structure, but a little wrongly (the error of ~ 0.7mRy per atom) for the ordered Pd3Ru alloy in L12 structure. In the present paper, we show that this small RSCE error for the Pd3Ru alloy is corrected very well (from ~ 0.7mRy to ~ 0.1mRy per atom) by enlarging the self-consistent region for the perturbed potentials up to the 2nd-nn host atoms around Run impurities in Pd. We also clarify the correction for each value of the n-body (n=1~ 4) IEs.

Sign in / Sign up

Export Citation Format

Share Document