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Simulating the Solidification of Boride–Boride Eutectics
Powder Metallurgy and Metal Ceramics, 2017Computer simulations of structurization in boride–boride ceramics are performed using the standard version of phase-field theory. The simulations reproduce the main properties of eutectic structures observed in experiments, i.e., spatial segregation of components, structure formation from an overcooled melt, and complete decomposition of the system ...
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Stability of Hyperlithiated Borides
The Journal of Physical Chemistry A, 1999Structures and energetics of BLin (n = 4−8) clusters are predicted using the SCF, MP2, and B3LYP methods with the 6-31G(d) basis set, including energy evaluations at G2MP2. Cohesive energies, defined as the enthalpies of the BLin → B + Lin reactions, and Li and Li2 elimination reaction enthalpies are also estimated at B3LYP.
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