材料期刊网

Vacancies and antisites in B2FeAl and DO3 Fe3Al with a modified analytic EAM model

Xiaolin SHU , Wangyu HU , Hanning XIAO , Huiqiu DENG , Bangwei ZHANG

材料科学技术（英文）

A simple modified analytic EAM model for bcc Fe and fcc AI was used to calculate the lattice constant and elastic constants of B2 FeAl and DO3 Fe3Al alloys. The formation energies of vacancy and antisite were also calculated. The present calculations are in agreement with the experimental data and the theoretical results obtained by other authors.

关键词:

THERMODYNAMIC PROPERTIES OF ALPHA-HELIX PROTEIN - A SOLITON APPROACH - COMMENT

Physical Review E

We disagree with the deduction of the equations of motion for the Davydov soliton and of the results in the paper by Jia-Xin Xiao et al. [Phys. Rev. A 44, 8375 (1991)]. The weakness and faults of the Davydov theory are also indicated.

关键词: davydov solitons;vibron solitons;molecules;excitation;system