Calculated stacking-fault energies of elemental metals.
نویسندگان
چکیده
منابع مشابه
Stacking fault energy of face-centered cubic metals: thermodynamic and ab initio approaches.
The formation energy of the interface between face-centered cubic (fcc) and hexagonal close packed (hcp) structures is a key parameter in determining the stacking fault energy (SFE) of fcc metals and alloys using thermodynamic calculations. It is often assumed that the contribution of the planar fault energy to the SFE has the same order of magnitude as the bulk part, and thus the lack of preci...
متن کاملEffect of stacking fault energy on mechanism of plastic deformation in nanotwinned FCC metals
Starting from a semi-empirical potential designed for Cu, we have developed a series of potentials that provide essentially constant values of all significant (calculated) materials properties except for the intrinsic stacking fault energy, which varies over a range that encompasses the lowest and highest values observed in nature. These potentials were employed in molecular dynamics (MD) simul...
متن کاملStacking - fault energies in simple metals : applications to BCC metals
We present a general method for calculating the stacking-fault energy in simple metals, and then we apply this to the ( 1 1 2 ) faults in body-centred cubic (BCC) metals. Our method contains no approximations for a given wavenumber characteristic (or equivalently the pair potential). Our results show that metastable faults do indeed exist in the simple BCC metals (Li, Na. K, Rb, Cs, Ca. Sr, Ba)...
متن کاملStacking-fault energies for Ag, Cu, and Ni from empirical tight-binding potentials
The intrinsic stacking-fault energies and free energies for Ag, Cu, and Ni are derived from molecular-dynamics simulations using the empirical tight-binding potentials of Cleri and Rosato [Phys. Rev. B 48, 22 (1993)]. While the results show significant deviations from experimental data, the general trend between the elements remains correct. This allows to use the potentials for qualitative com...
متن کاملFirst-principles Calculations of Twin-boundary and Stacking-fault Energies in Magnesium
The interfacial energies of twin boundaries and stacking faults in metal magnesium have been calculated using first-principles supercell approach. Four types of twin boundaries and two types of stacking faults are investigated, namely, those due to the (1011) mirror reflection, the (1011) mirror glide, the (1012) mirror reflection, the (1012) mirror glide, the I1 stacking fault, and I2 stacking...
متن کاملذخیره در منابع من
با ذخیره ی این منبع در منابع من، دسترسی به آن را برای استفاده های بعدی آسان تر کنید
برای دانلود متن کامل این مقاله و بیش از 32 میلیون مقاله دیگر ابتدا ثبت نام کنید
ثبت ناماگر عضو سایت هستید لطفا وارد حساب کاربری خود شوید
ورودعنوان ژورنال:
- Physical review. B, Condensed matter
دوره 47 19 شماره
صفحات -
تاریخ انتشار 1993