54 citations · 153 across the 10 of their papers we have counts for
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cond-mat.mtrl-sci2017★ 54 cited
Free energy calculation of mechanically unstable but dynamically stabilized bcc titanium
Sara Kadkhodaei, Qi-Jun Hong, Axel van de Walle
The phase diagram of numerous materials of technological importance features high-symmetry high-temperature phases that exhibit phonon instabilities. Leading examples include shape…
cond-mat.stat-mech2017★ 15 cited
An epicycle method for elasticity limit calculations
Axel van de Walle, Sara Kadkhodaei, Ruoshi Sun +1
The task of finding the smallest energy needed to bring a solid to its onset of mechanical instability arises in many problems in materials science, from the determination of the e…