Global instability index as a crystallographic stability descriptor of halide and chalcogenide perovskites

Crystallographic stability is an important factor that affects the stability of perovskites.The stability dictates the commercial applications of lead-based organometal halide perovskites.The tolerance factor(t)and octahedral factor(μ)form the state-of-the-art criteria used to evaluate the perovskite crystallographic stability.We studied the crystallographic stabilities of halide and chalcogenide perovskites by exploring an effective alternative descriptor,the global instability index(GII)that was used as an indicator of the stability of perovskite oxides.We particularly focused on determining crystallographic reliability by calculating GII.We analyzed the bond valence models of the 243 halide and chalcogenide perovskites that occupied the lowest-energy cubic-phase structures determined by conducting the first-principles-based total energy minimization calculations.The decomposition energy(ΔHD)reflects the thermodynamic stability of the system and is considered as the benchmark that helps assess the effectiveness of GII in evaluating the crystallographic stability of the systems under study.The results indicated that the accuracy of predicting thermodynamic stability was significantly higher when GII(73.6%)was analyzed compared to the cases when t(55%)andμ(39.1%)were analyzed to determine the stability.The results obtained from the machine learning-based data mining method further indicate that GII is an important descriptor of the stability of the perovskite family.

Observation of low-frequency oscillation in argon helicon discharge

We present here a kind of low-frequency oscillation in argon helicon discharge with a half helical antenna.This time-dependent instability shows a global quasi-periodic oscillation of plasma density and electron temperature,with a typical frequency of a few tens of Hz which increases with external magnetic field as well as radiofrequency(RF)power.The relative oscillation amplitude decreases with magnetic field and RF power,but the rising time and pulse width do not change significantly under different discharge conditions.The oscillation can only be observed in some specific conditions of low magnetic fields and low RF power when the gas flows in from one end of the discharge area and out from another end.This global instability is suggested to be attributed to the pressure instability of neutral depletion,which is the result of compound action of gas depletion by heating expansion and gas replenishment from upstream.There are two kinds of oscillations,large and small amplitude oscillations,occurring in different discharge modes.This study could be a good verification of and complement to earlier experiments.This kind of spontaneous pulse phenomenon is also helpful in realizing a pulsing plasma source without a pulsed power supply.

A CFD-Aided Galerkin Method for Global Linear Instability Analysis

Global linear instability analysis is a powerful tool for the complex flow diagnosis.However,the methods used in the past would generally suffer from some dis-advantages,either the excessive computational resources for the low-order methods or the tedious mathematical derivations for the high-order methods.The present work proposed a CFD-aided Galerkin methodology which combines the merits from both the low-order and high-order methods,where the expansion on proper basis func-tions is preserved to ensure a small matrix size,while the differentials,incompressibility constraints and boundary conditions are realized by applying the low-order linearized Navier-Stokes equation solvers on the basis functions on a fine grid.Several test cases have shown that the new method can get satisfactory results for one-dimensional,two-dimensional and three-dimensional flow problems and also for the problems with complex geometries and boundary conditions.

Flat Solutions of Some Non-Lipschitz Autonomous Semilinear Equations May be Stable for N≥3

The authors prove that flat ground state solutions(i.e. minimizing the energy and with gradient vanishing on the boundary of the domain) of the Dirichlet problem associated to some semilinear autonomous elliptic equations with a strong absorption term given by a non-Lipschitz function are unstable for dimensions N = 1, 2 and they can be stable for N ≥ 3 for suitable values of the involved exponents.