Calculation of Stacking Fault Energy by Use of Long-Range Interionic Potential. : I. Application of Ewald Method

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概要

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• Formation ezaergy 7sr of an intri?asic stacking fault in metals and alloys of FCClattice is calculated uxunaerically by the use of the Ewald-Epstein method, when aneffective imateriomtic potetttial between two iouas separated by a distance t' is approx-imated by V, cos (2k.r)/(2k.r)' or V. sin ('2,k,=r)/('2.k,.r)"' with nt=3, 4 or 5, whereAF is the Fermi wave ttumber.Calculations show that l) the Ewald method gives higher accuracy Chant thedirect sum over lattice vectors in crystal space, 2) y,p deperads seuasitively on theelectron-atom ratio era for the present six types of the potential, autd 3) a functiony.,.(e/a) for the si?t (k.r)/(k.r)' type potejtjal shows abrupt change when e/aexceeds a critical value n(2/3)"' at which k,. equals a half of the unit vector g.=2nVS/3/a of the reciprocal lattice on the close-packed plane of FCC.

• 社団法人日本物理学会の論文
• 1980-09-15

著者

• Sugiyama Akira

  Physics Labolatory. College Of General Education Nagoya University

関連論文

• Stationary Propagation of Kink in Dislocation
• Electron Density in Interior Far from Metal Surfaces
• Theory of Electronic Specific Heats of Dilute Alloys
• Theory of Valency Effect of Impurity Atoms on Hardening of Alloys
• Theory of Peierls Force of a Boundary Layer
• Statistical Velocity of Dislocation by Kink Formation Mechanism
• Calculation of Stacking Fault Energy by Use of Long-Range Interionic Potential. : I. Application of Ewald Method
• Quasi-Stationary Propagation of Dislocation Kink

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