About Sino-european aluminum alloy energy storage box
For the ground-state properties of TM-Al intermetallic (TM = Ti, Fe, Co) compounds, total energies are calculated as a function of volume in L10- type and CsCl (B2-phase) structures using the first principles US-PP method . The calculated total energies are fitted by the Birch–Murnaghan’s equationto obtain the.
Chemical bonding character of TiAl, FeAl and CoAl can also be studied from the total and partial densities of states (DOS). The Fermi level is fixed at.
The elastic coefficients can be used to investigate the stability and anisotropy of solid materials. By definition, elastic constants determine the linear response of an elastic crystal of given symmetry to an infinitely small strain . In addition, elastic coefficients are critical.
The cell volume has been optimized in order to determine the bulk modulus. One can see from the present results in Table 1 that the values of the bulk.
In the present study, the density functional theory (DFT) and semiclassical Boltzmann theory have been used to check the thermoelectric calculations of intermetallic aluminum alloys. Thereby, 1000 k-points dense grid have employed in the Brillion zone (BZ) to determine the.
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