@article{annamareddy_eapen_2017, title={Disordering and dynamic self-organization in stoichiometric UO2 at high temperatures}, volume={483}, ISSN={["1873-4820"]}, DOI={10.1016/j.jnucmat.2016.10.042}, abstractNote={Neutron scattering experiments show significant oxygen disorder in UO2 at temperatures above 2000 K. The nature of the disorder, however, has not been ascertained with certainty. Using atomistic simulations and metrics from statistical mechanics we show that the oxygen anions predominantly hop from one native (tetrahedral) lattice site to another, above a characteristic temperature Tα (∼2000 K). Interestingly, we discover two types of disorder – the first one, which is a measure of the fraction of anions that are displaced from their native sites, portrays a monotonic increase with temperature and shows excellent conformity to neutron scattering data. The second metric based on the mean square displacement of the anions in an isoconfigurational ensemble demonstrates a dynamic self-organization behavior in which the anions are spatially correlated to those with similar mobility. This dynamic self-organization, however, experiences a non-monotonic variation with temperature depicting a maximum near the Bredig or λ-transition. We further establish that the thermodynamic metric cp/T, which is equal to the rate of change of entropy with temperature, is a key entropic indicator of the dynamic self-organization among the oxygen anions in UO2 at high temperatures.}, journal={JOURNAL OF NUCLEAR MATERIALS}, author={Annamareddy, Ajay and Eapen, Jacob}, year={2017}, month={Jan}, pages={132–141} }
 @article{eapen_annamareddy_2017, title={Entropic crossovers in superionic fluorites from specific heat}, volume={23}, ISSN={["1862-0760"]}, DOI={10.1007/s11581-017-2007-z}, number={4}, journal={IONICS}, author={Eapen, Jacob and Annamareddy, Ajay}, year={2017}, month={Apr}, pages={1043–1047} }
 @article{annamareddy_eapen_2017, title={Ion hopping and constrained Li diffusion pathways in the superionic state of antifluorite Li2O}, volume={19}, number={5}, journal={Entropy}, author={Annamareddy, A. and Eapen, J.}, year={2017} }
 @article{annamareddy_eapen_2017, title={Low Dimensional String-like Relaxation Underpins Superionic Conduction in Fluorites and Related Structures}, volume={7}, ISSN={["2045-2322"]}, DOI={10.1038/srep44149}, abstractNote={Abstract}, journal={SCIENTIFIC REPORTS}, author={Annamareddy, Ajay and Eapen, Jacob}, year={2017}, month={Mar} }
 @article{annamareddy_eapen_2015, title={Mobility propagation and dynamic facilitation in superionic conductors}, volume={143}, number={19}, journal={Journal of Chemical Physics}, author={Annamareddy, A. and Eapen, J.}, year={2015} }
 @article{annamareddy_nandi_mei_eapen_2014, title={Waxing and waning of dynamical heterogeneity in the superionic state}, volume={89}, ISSN={["1550-2376"]}, DOI={10.1103/physreve.89.010301}, abstractNote={Using molecular dynamics simulations of UO2-a type II superionic conductor-we identify a well-defined onset of dynamic disorder (Tα), which is remarkably correlated to a nontrivial advance of dynamical heterogeneity (DH). Quantified by the correlations in the dynamic propensity and van Hove self-correlation function, the DH is shown to grow with increasing temperature from Tα, peak at an intermediate temperature between Tα and Tλ-the superionic transition temperature-and then recede. Surprisingly, the DH attributes are not uniform across the temperatures-our investigation shows a low temperature (αT) stage DH, which is characterized by weak correlations and a plateaulike period in the correlations of the propensity, and a high temperature (λT) stage DH with strong correlations that are analogous to those in typical supercooled liquids. Our work, which has rigorously identified the onset of superionicity, gives a different direction for interpreting scattering experiments on the basis of statistical, correlated dynamics.}, number={1}, journal={PHYSICAL REVIEW E}, author={Annamareddy, V. Ajay and Nandi, Prithwish K. and Mei, Xiaojun and Eapen, Jacob}, year={2014}, month={Jan} }