Resonance studies using the contour deformation method in the complex momentum plane

A contour deformation method (CDM) in the complex momentum plane has been successfully extended and implemented to probe resonances in atomic and molecular systems. Specifically, solution of the Schrödinger equation is performed in momentum space with momentum deformed on a contour in the complex plane. The bound, resonant, and complex continuum states could be directly revealed from the eigenvalues of the Schrödinger equation in the complex momentum plane. The calculations of shape resonances in electron scattering with Na⁺ in Debye plasmas (one channel), and in the charge transfer process ${\mathrm{H}}^{?}(1s^2)+\mathrm{Li}(1s^{2}2s)$ ($1^2{\Sigma }^{+}$) $\to \mathrm{H}(1s)+{\mathrm{Li}}^{?}(1s^{2}2s^2)$ ($2^2{\Sigma }^{+}$) (coupled channels) are given as illustrative examples. It is shown that calculated results from CDM agree very well with those extracted from the eigenphase sum of scattering theories. The effectiveness of CDM is also demonstrated by comparing its results with those obtained by the complex rotation scaling and exterior complex scaling methods. The convergence of CDM results can be obtained by increasing the momentum integration region and the number of integration points. The studied examples demonstrate that CDM could be a powerful tool for studies of resonances in complex atomic and molecular systems.     

Pressure controllable phase transition in MoTe2 by the interlayer band occupancy

High pressure can effectively control the phase transition of MoTe₂ in experiment, but the mechanism is still unclear. In this work, we show by first-principles calculations that the phase transition is suppressed and $1T^{\prime }$ phase becomes more stable under high pressure, which originates from the pressure-induced change of the interlayer band occupancies near the Fermi energy. Specifically, the interlayer states of $1T^{\prime }$ phase tend to be fully occupied under high pressure, while they keep partially occupied for the $T_d$ phase. The increase of the band occupancies makes the $1T^{\prime }$ phase more favorable in energy and prevents the structure changing from $1T^{\prime }$ to $T_d$ phase. Moreover, we also analyze the superconductivity under high pressure based on BCS theory by calculating the density of states and phonon spectra. Our results may shed some light on understanding the relationship between the interlayer band occupancy and crystal stability of MoTe₂ under high pressures.     

New findings for two new type sine hyperbolic potentials

We propose two new type sine hyperbolic potentials $V(x)=a^2{\sinh }^2?(x)?k{\tanh }^2?(x)$ and $V(x)=c^2{\sinh }^4?(x)?k{\tanh }^2?(x)$. They may become single- or double-well potentials depending on the potential parameters $a,c$ and k. We find that its exact solutions can be written as the confluent Heun functions $H_c(\alpha ,\beta ,\gamma ,\delta ,\eta ;z)$, in which the energy level E is involved inside the parameter η. The properties of the wave functions, which is strongly relevant for the potential parameters $a,c$ and k, are illustrated.     

Motion and swelling of single coal particles during volatile combustion in a laminar flow reactor

Motion and swelling behavior of single bituminous coal particles during volatile combustion are investigated in a laminar flow reactor using a joint experimental and numerical approach. Three different particle samples with mean diameters of 90, 120, and 160 µm are studied in a conventional N${}_2$/O${}_2$ atmosphere with 20 vol% O${}_2$ mole fraction. Diffuse backlight-illumination (DBI) measurements with high temporal (10 kHz) and spatial ($>$ 19 lp/mm) resolutions, combined with detailed parameter evaluation methods, provide fundamental insights into interactions of particle with flow and flame. The acceleration behavior of different particles is assessed based on the response time following the viscosity drag law. Rotation speed is determined by temporally tracking the orientation angle and shown to strongly correlate with the particle size and the devolatilization process. Simultaneously measured slip velocity and particle diameter enable evaluating time-dependent particle Reynolds numbers $R{e}_{\mathrm{p}}$. The swelling behavior is temporally synchronized with the devolatilization process and reveals a strong dependency on particle diameters. To better understand experimental observations, detailed simulations are first quantitatively validated against experimental ignition delay times and then applied to predict particle temperature histories. Further, the reduction of particle heating rates with increasing diameters is numerically quantified. The maximum swelling ratio decreases from 1.22 to 1.07 as the heating rate increases from approximately 3 $\times$ 10${}^4$ to 8 $\times$ 10${}^4$ K/s.     

Time-periodic quantum states of weakly interacting bosons in a harmonic trap

We consider quantum bosons with contact interactions at the Lowest Landau Level (LLL) of a two-dimensional isotropic harmonic trap. At linear order in the coupling parameter g, we construct a large, explicit family of quantum states with energies of the form $E_0+g{E}_1/4+O(g^2)$, where $E_0$ and $E_1$ are integers. Any superposition of these states evolves periodically with a period of $8\pi /g$ until, at much longer time scales of order $1/g^2$, corrections to the energies of order $g^2$ may become relevant. These quantum states provide a counterpart to the known time-periodic behaviors of the corresponding classical (mean field) theory.