The N-body potentials of Finnis and Sinclair (1984) are investigated to gauge their usefulness in computer simulation work. Results on monovacancies, di-vacancies and (100) surfaces are presente
The structure and energies of point defects and their clusters in metals have been studied because o...
We present a self-consistent calculation of the mono vacancy formation energy for seven simple metal...
We present a self-consistent calculation of the mono vacancy formation energy for seven simple metal...
The N-body potentials of Finnis and Sinclair (1984) are investigated to gauge their usefulness in co...
The N-body potentials of Finnis and Sinclair (1984) are investigated to gauge their usefulness in co...
The N-body potentials of Finnis and Sinclair (1984) are investigated to gauge their usefulness in co...
The static relaxation program DEVIL has been updated to use N-body Finnis-Sinclair potentials. Initi...
The static relaxation program DEVIL has been updated to use N-body Finnis-Sinclair potentials. Initi...
This work is devoted to simulation of the diffusion features of point defects in bcc metals. The pro...
Relaxation volumes of point defects in cubic metals can be conveniently estimated by differentiating...
A tight-binding type electronic theory is used to calculate the binding energy Ebin, atomic relaxati...
A tight-binding type electronic theory is used to calculate the binding energy Ebin, atomic relaxati...
We have performed first-principles total-energy calculations for vacancy formation energies in six b...
This work is devoted to simulation of the diffusion features of point defects in bcc metals. The pro...
The structure and energies of point defects and their clusters in metals have been studied because o...
The structure and energies of point defects and their clusters in metals have been studied because o...
We present a self-consistent calculation of the mono vacancy formation energy for seven simple metal...
We present a self-consistent calculation of the mono vacancy formation energy for seven simple metal...
The N-body potentials of Finnis and Sinclair (1984) are investigated to gauge their usefulness in co...
The N-body potentials of Finnis and Sinclair (1984) are investigated to gauge their usefulness in co...
The N-body potentials of Finnis and Sinclair (1984) are investigated to gauge their usefulness in co...
The static relaxation program DEVIL has been updated to use N-body Finnis-Sinclair potentials. Initi...
The static relaxation program DEVIL has been updated to use N-body Finnis-Sinclair potentials. Initi...
This work is devoted to simulation of the diffusion features of point defects in bcc metals. The pro...
Relaxation volumes of point defects in cubic metals can be conveniently estimated by differentiating...
A tight-binding type electronic theory is used to calculate the binding energy Ebin, atomic relaxati...
A tight-binding type electronic theory is used to calculate the binding energy Ebin, atomic relaxati...
We have performed first-principles total-energy calculations for vacancy formation energies in six b...
This work is devoted to simulation of the diffusion features of point defects in bcc metals. The pro...
The structure and energies of point defects and their clusters in metals have been studied because o...
The structure and energies of point defects and their clusters in metals have been studied because o...
We present a self-consistent calculation of the mono vacancy formation energy for seven simple metal...
We present a self-consistent calculation of the mono vacancy formation energy for seven simple metal...
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