Related papers: Phase Separation in Li$_x$FePO$_4$ Induced by Corr…
We evaluated the individual atom contributions to the second harmonic generation (SHG) coefficients of LiCs2PO4 (LCPO) by introducing the partial response functionals on the basis of first principles calculations. The SHG response of LCPO…
Investigation of simple far-from-equilibrium systems exhibiting phase separation leads to the conclusion that phase coexistence is not well defined in this context. This is because the properties of the coexisting nonequilibrium systems…
Dilute solutions of strongly charged polymer electrolytes undergo, upon addition of multivaltent salt to the solutions, a phase transition from extended conformations to collapsed or bundled ones. Upon further addition of salt they…
Phase mixing of relativistic large amplitude nonlinear plasma wave in presence of a time independent space periodic ion density profile has been investigated. Inhomogeneous ion along with the relativistic variation of electron mass make the…
Liquid-liquid phase separation underlies phenomena ranging from protein condensate formation to the phase coexistence of synthetic polymers. Although the random phase approximation (RPA) is widely used to predict such phase behavior, its…
Future lithium-based batteries are expected to use solid electrolytes to achieve higher energy density and fast charge capabilities. The majority of solid electrolytes are thermodynamically unstable against layered oxide cathodes. Here, the…
The phase behavior of membrane proteins stems from a complex synergy with the amphiphilic molecules required for their solubilization. We show that ionization of a pH-sensitive surfactant, LDAO, bound to a bacterial photosynthetic protein,…
We present the first principles results of point defect energetics in silicon calculated using the LDA+U method: a Hubbard type on-site interaction added to the local density approximation (LDA). The on-site Coulomb and exchange parameters…
Using the LDA+$\textit{U}_\text{sc}$ method, we present calculations phase relations of iron monoxides involving five polytypes in multiple spin-state configurations. The Hubbard parameter $U$ is determined self-consistently simultaneously…
Understanding and controlling coupled ionic-polaronic dynamics is crucial for optimizing electrochemical performance in battery materials. However, studying such coupled dynamics remains challenging due to the intricate interplay between…
In active systems, whose constituents have non-equilibrium dynamics at local level, fluid-fluid phase separation is widely observed. Examples include the formation of membraneless organelles within cells; the clustering of self-propelled…
We elucidate the thermodynamics of sodium (Na) intercalation into the sodium super-ionic conductor (NaSICON)-type electrode, Na$_x$V$_2$(PO$_4$)$_3$, for promising Na-ion batteries with high-power density. This is the first report of a…
Experiments on single crystal Li$_X$FePO$_4$ (LFP) nanoparticles indicate rich nonequilibrium phase behavior, such as suppression of phase separation at high lithiation rates, striped patterns of coherent phase boundaries, nucleation by…
We present a mechanistic theory for predicting void evolution in the Li metal electrode during the charge and discharge of all-solid-state battery cells. A phase field formulation is developed to model vacancy annihilation and nucleation,…
Previous study of properties of the first-order phase transition in a set of plasma mod-els with common feature - absence of individual correlations between charges of opposite sign, was continued. Predicted discontinuities in equilibrium…
Key experimental results on unveiling and studying properties of a multiphase state that arises in two-dimensional electron systems due to the interplay of interelectron interactions and disorder are reviewed. The review focuses on the…
Multiplicity and pseudorapidity ($\eta$) density ($dN_{\rm ch}/d\eta$) distributions of charged hadrons provide key information towards understanding the particle production mechanisms and initial conditions of high-energy heavy-ion…
We discuss the recently proposed LDA'+DMFT approach providing consistent parameter free treatment of the so called double counting problem arising within the LDA+DMFT hybrid computational method for realistic strongly correlated materials.…
Assuming triviality of the 4-dimensional $\lambda \phi ^4$-theory we compute the effective potential by means of a self consistent Feynman-Bogoliubov method. This potential $U_{eff}^{FB}$ depends on a UV-cutoff, which is fixed by a…
The low-energy spectrum of a one-component, spontaneously broken \Phi^4 theory is generally believed to have the same simple massive form \sqrt{{\bf p}^2 + m^2_h} as in the symmetric phase where < \Phi >=0. However, in lattice simulations…