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- W2373556815 abstract "A static method is presented for investigating the mechanical stability of inte-ratomic potential function used in computer simulation of material system. The po-tential function is assumed to be an EAM potential. A criteria for suitability of potentials is proposed. The method is applied to calculate the strength of crystal of metal Ni with EAM potential proposed by A. Voter et al. when the crystal is subjected to an uniaxial tension or compression along [100] direction. Under the compression the crystal structure is transformed first from fcc into bcc and then from bcc into bct: the bcc and the bct structures are instable. Under the tension the crystal is destroyed when the theoretical strain arrives at 10.51% and the cor-responding theoretical strength is 1.46×10 11 dyn·cm-2. From above calculations it is obtained that when the strain of the crystal is out of the range from -9.66% to 10.51% the EAM potential is not suitible to the description of the mechanical properties of metal Ni." @default.
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- W2373556815 date "1995-01-01" @default.
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- W2373556815 title "MECHANICAL STABILITY OF CRYSTAL LATTICE" @default.
- W2373556815 hasPublicationYear "1995" @default.
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