71 citations · 121 across the 4 of their papers we have counts for
4 papers
Pressure-Induced Phase Transformation in -Eucryptite: an X-Ray Diffraction and Density Functional Theory Study
Yachao Chen, Sukriti Manna, Badri Narayanan +3
Certain alumino-silicates display exotic properties enabled by their framework structure made of corner-sharing tetrahedral rigid units. Using \textit{in situ} diamond-anvil cell x…
Thermal regimes of Li-ion conductivity in beta-eucryptite
Yachao Chen, Sukriti Manna, Cristian V. Ciobanu +1
While it is well established that ionic conduction in lithium aluminosilicates proceeds via hopping of Li ions, the nature of the various hoping-based mechanisms in different tempe…
Reactive force field for lithium-aluminum silicates with applications to eucryptite phases
Badri Narayanan, Adri C. T. van Duin, Branden B. Kappes +2
We have parameterized a reactive force field (ReaxFF) for lithium aluminum silicates using density functional theory (DFT) calculations of structural properties of a number of bulk…
Elastic constants of beta-eucryptite: A density functional theory study
B. Narayanan, I. E. Reimanis, E. R. Fuller +1
The five independent elastic constants of hexagonal -eucryptite have been determined using density functional theory (DFT) total energy calculations. The calculated values agree…