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We establish here the local-in-time well-posedness of strong solutions with large initial data to a system coupling compressible atmospheric dynamics with a refined moisture model introduced in Hittmeir and Klein (Theor. Comput. Fluid Dyn. 32:137--164, 2018). This micro-physics moisture model is a refinement of the one communicated by Klein and Majda (Theor. Comput. Fluid Dyn. 20:525--551, 2006), which serves as a foundation of multi-scale asymptotic expansions for moist deep convection in the atmosphere. Specifically, we show, in this paper, that the system of compressible Navier--Stokes equations coupled with the moisture dynamics is well-posed. In particular, the micro-physics of moisture model incorporates the phase changes of water in moist air.

The ``Shockless Explosion Combustion" (SEC) concept for gas turbine combustors, introduced in 2014, approximates constant volume combustion (CVC) by harnessing acoustic confinement of autoigniting gas packets. The resulting pressure waves simultaneously transmit combustion energy to a turbine plenum and facilitate the combustor's recharging against an average pressure gain. Challenges in actualizing an SEC-driven gas turbine include i) the creation of charge stratifications for nearly homogeneous autoignition, ii) protecting the turbo components from combustion-induced pressure fluctuations, iii) providing evidence that efficiency gains comparable to those of CVC over deflagrative combustion can be realized, and iv) designing an effective one-way intake valve. This work addresses challenges i)-iii) utilizing computational engine models incorporating a quasi-one-dimensional combustor, zero- and two-dimensional compressor and turbine plena, and quasi-stationary turbo components. Two SEC operational modes are identified which fire at roughly one and two times the combustors' acoustic frequencies. Results for SEC-driven gas turbines with compressor pressure ratios of 6:1 and 20:1 reveal 1.5-fold mean pressure gains across the combustors. Assuming ideally efficient compressors and turbines, efficiency gains over engines with deflagration-based combustors of 30% and 18% are realized, respectively. With absolute values of 52% and 66%, the obtained efficiencies are close to the theoretical Humphrey cycle efficiencies of 54% and 65% for the mentioned pre-compression ratios. Detailed thermodynamic cycle analyses for individual gas parcels suggest that there is room for further efficiency gains through optimized plenum and combustor designs.

A model for the motion of slender vortex filaments is extended to include the effect of gravity. The model, initially introduced by Callegari and Ting (SIAM, J. of App. Math., (1978), vol. 35, pp. 148-175), is based on a matched asymptotic expansion in which the outer solution, given by the Biot-Savart law, is matched with the inner solution derived from the Navier-Stokes equations. Building on recent work by Harikrishnan et al (Phys. of Fluids, (2023), vol. 35) the Boussinesq approximation is applied such that the density variations only enter in the gravity term. However, unlike Harikrishnan et al. (2023) the density variation enters at a lower order in the asymptotic expansion, and thus has a more significant impact on the self-induced velocity of the vortex filament. In this regime, which corresponds to the regime studied by Chang and Smith (J. of Fl. Mech., (2018), vol. 857), the effect of gravity is given by an alteration of the core constant, which couples the motion of the filament to the motion within the vortical core, in addition to a change in the compatability conditions (evolution equations) which determine the leading order azimuthal and tangential velocity fields in the vortex core. The results are used to explain certain properties of bouyant vortex rings, as well as qualitatively explore the impact of gravity on tornado type atmospheric vorticies., Comment: This article may be downloaded for personal use only. Any other use requires prior permission of the author and AIP Publishing. This article appeared in "Physics of Fluids 1 May 2024; 36 (5): 056604", and may be found at https://doi.org/10.1063/5.0205028

In this paper, we investigate the boundary layer arising from the fast internal waves in the Boussinesq equations with the Brunt-Vais\"al\"a frequency of order $ \mathcal O(1/\varepsilon) $. For the homogeneous-in-height stratification, previous work by \emph{Desjardins, Lannes, Saut, 3(1):153--192, Water Waves, 2021} establishes uniform-in-$\epsilon$ estimates locally in time, with additional constraints on the boundary data initially, which essentially restricts the dynamics in the spatially periodic domain. Removing such constraints, our goal is to investigate the general near-boundary behavior. We observe that the fast internal waves will give rise to large growth of the spatial derivatives in the normal direction of the solutions in the vicinity of the boundary. To capture this phenomenon, we introduce an inviscid boundary layer using a natural scaling. In addition, we investigate the well-posedness of such a boundary layer system in the space of analytic functions.

A recent work of Harikrishnan et al. [arXiv:2110.02253 (2021)] has revealed an abundance of hairpin-like vortex structures, oriented in a similar direction, in the turbulent patches of a stably stratified Ekman flow. The Ekman flow over a smooth wall is a simplified configuration of the Atmospheric Boundary Layer (ABL) where effects of both stratification and rotation are present. In this study, hairpin-like structures are investigated by treating them as slender vortex filaments, i.e., a vortex filament whose diameter $d$ is small when compared to its radius of curvature $R$. The corrected thin-tube model of Klein and Knio [J. Fluid Mech. (1995)] is used to compute the motion of these filaments with the ABL as a background flow. The influence of the mean background flow on the filaments is studied for two stably stratified cases and a neutrally stratified case. Our results suggest that the orientation of the hairpin filament in the spanwise direction is linked to its initial starting height under stable stratification whereas no such dependency can be observed with the neutrally stratified background flow. An improved feature tracking scheme based on spatial overlap for tracking $Q$-criterion vortex structures on the Direct Numerical Simulation (DNS) data is also developed. It overcomes the limitation of using a constant threshold in time by dynamically adjusting the thresholds to accommodate the growth or deterioration of a feature. A comparison between the feature tracking and the filament simulation reveals qualitatively similar temporal developments. Finally, an extension of the asymptotic analysis of Callegari and Ting [J. App. Math (1978)] is carried out to include the effect of gravity. The results show that, in the regime considered here, a contribution from the gravity term occurs only when the tail of an infinitely long filament is tilted at an angle relative to the wall.

WaveTrain is an open-source software for numerical simulations of chain-like quantum systems with nearest-neighbor (NN) interactions only. The Python package is centered around tensor train (TT, or matrix product) format representations of Hamiltonian operators and (stationary or time-evolving) state vectors. It builds on the Python tensor train toolbox Scikit-tt, which provides efficient construction methods and storage schemes for the TT format. Its solvers for eigenvalue problems and linear differential equations are used in WaveTrain for the time-independent and time-dependent Schroedinger equations, respectively. Employing efficient decompositions to construct low-rank representations, the tensor-train ranks of state vectors are often found to depend only marginally on the chain length N. This results in the computational effort growing only slightly more than linearly with N, thus mitigating the curse of dimensionality. As a complement to the classes for full quantum mechanics, WaveTrain also contains classes for fully classical and mixed quantum-classical (Ehrenfest or mean field) dynamics of bipartite systems. The graphical capabilities allow visualization of quantum dynamics on the fly, with a choice of several different representations based on reduced density matrices. Even though developed for treating quasi one-dimensional excitonic energy transport in molecular solids or conjugated organic polymers, including coupling to phonons, WaveTrain can be used for any kind of chain-like quantum systems, with or without periodic boundary conditions, and with NN interactions only.

We investigate the use of tensor-train approaches to the solution of the time-dependent Schr\"odinger equation for chain-like quantum systems with on-site and nearest-neighbor interactions only. Using efficient low-rank tensor train representations, we aim at reducing the memory consumption as well as the computation costs. As an example, coupled excitons and phonons modeled in terms of Fr\"ohlich-Holstein type Hamiltonians are studied here. By comparing our tensor-train based results with semi-analytical results, we demonstrate the key role of the ranks of the quantum state vectors. Typically, an excellent quality of the solutions is found only when the maximum number of ranks exceed a certain value. One class of propagation schemes builds on splitting the Hamiltonian into two groups of interleaved nearest-neighbor interactions which commutate within each of the groups. In particular, the 4-th order Yoshida-Neri and the 8-th order Kahan-Li symplectic compositions are demonstrated to yield very accurate results, close to machine precision. However, due to the computational costs, currently their use is restricted to rather short chains. That also applies to propagations based on the time-dependent variational principle, typically used in the context of matrix product states. Yet another class of propagators involves explicit, time-symmetrized Euler integrators. Especially the 4-th order variant is recommended for quantum simulations of longer chains, even though the high precision of the splitting schemes cannot be reached. Moreover, the scaling of the computational effort with the dimensions of the local Hilbert spaces is much more favorable for the differencing than for the splitting or variational schemes.

In molecular simulation and fluid mechanics, the coupling of a particle domain with a continuum representation of its embedding environment is an ongoing challenge. In this work, we show a novel approach where the latest version of the adaptive resolution scheme (AdResS), with non-interacting tracers as particles reservoir, is combined with a fluctuating hydrodynamics (FHD) solver. The resulting algorithm, supported by a solid mathematical model, allows for a physically consistent exchange of matter and energy between the particle domain and its fluctuating continuum reservoir. Numerical tests are performed to show the validity of the algorithm. Differently from previous algorithms of the same kind, the current approach allows for simulations where, in addition to density fluctuations, also thermal fluctuations can be accounted for, thus large complex molecular systems, as for example hydrated biological membranes in a thermal field, can now be efficiently treated., Comment: In press

Quasi-geostrophic (QG) theory is of fundamental importance in the study of large-scale atmospheric flows. In recent years, there has been growing interest in extending the classical QG plus Ekman friction layer model (QG-Ekman) to systematically include additional physical processes known to significantly contribute to real-life weather phenomena. This paper lays the foundation for combining two of these developments, namely Smith and Stechmann's family of \emph{Precipitating Quasi-Geostrophic} (PQG) models (J.\ Atmos.\ Sci, {\bfseries 74}, 3285--3303, 2017) on the one hand, and the extension of QG-Ekman for dry air by a strongly \emph{Diabatic Layer} (DL) of intermediate height (QG-DL-Ekman) in (J.\ Atmos.\ Sci, {\bfseries 79}, 887--905, 2022) on the other hand. To this end, Smith and Stechmann's PQG equations for sound-proof motions are first corroborated within a general asymptotic modeling framework starting from a full compressible flow model. The derivations show that the PQG model family is naturally embedded in the asymptotic hierarchy of scale-dependent atmospheric flow models introduced by one of the present authors in (Ann.\ Rev.\ Fluid Mech., {\bfseries 42}, 249--274). Particular emphasis is then placed on an asymptotic scaling regime for PQG that accounts for a generic Kessler-type bulk microphysics closure and is compatible with QG-DL-Ekman theory. The detailed derivation of a moist QG-DL-Ekman model is deferred to a future publication.

The chemical diffusion master equation (CDME) describes the probabilistic dynamics of reaction--diffusion systems at the molecular level [del Razo et al., Lett. Math. Phys. 112:49, 2022]; it can be considered the master equation for reaction--diffusion processes. The CDME consists of an infinite ordered family of Fokker--Planck equations, where each level of the ordered family corresponds to a certain number of particles and each particle represents a molecule. The equations at each level describe the spatial diffusion of the corresponding set of particles, and they are coupled to each other via reaction operators --linear operators representing chemical reactions. These operators change the number of particles in the system, and thus transport probability between different levels in the family. In this work, we present three approaches to formulate the CDME and show the relations between them. We further deduce the non-trivial combinatorial factors contained in the reaction operators, and we elucidate the relation to the original formulation of the CDME, which is based on creation and annihilation operators acting on many-particle probability density functions. Finally we discuss applications to multiscale simulations of biochemical systems among other future prospects.

This work is devoted to investigating a compressible fluid system with low stratification, which is driven by fast acoustic waves and internal waves. The approximation using a soundproof model is justified. More precisely, the soundproof model captures the dynamics of both the non-oscillating mean flows and the oscillating internal waves, while filters out the fast acoustic waves, of the compressible system with or without initial acoustic waves. Moreover, the fast-slow oscillation structure is investigated.

In this work we study the global solvability of moisture dynamics with phase changes for warm clouds. We thereby in comparison to previous studies [Hittmeir-Klein-Li-Titi (2017)] take into account the different gas constants for dry air and water vapor as well as the different heat capacities for dry air, water vapor and liquid water, which leads to a much stronger coupling of the moisture balances and the thermodynamic equation. This refined thermodynamic setting has been demonstrated to be essential e.g. in the case of deep convective cloud columns in [Hittmeir-Klein (2017)]. The more complicated structure requires careful derivations of sufficient a priori estimates for proving global existence and uniqueness of solutions., Comment: arXiv admin note: text overlap with arXiv:1907.11199

The traditional approximation neglects the cosine components of the Coriolis acceleration, and this approximation has been widely used in the study of geophysical phenomena. However, the justification of the traditional approximation is questionable under a few circumstances. In particular, dynamics with substantial vertical velocities or geophysical phenomena in the tropics have non-negligible cosine Coriolis terms. Such cases warrant investigations with the non-traditional setting, i.e., the full Coriolis acceleration. In this manuscript, we study the effect of the non-traditional setting on an isothermal, hydrostatic and compressible atmosphere assuming a meridionally homogeneous flow. Employing linear stability analysis, we show that, given appropriate boundary conditions, i.e., a bottom boundary condition that allows for a vertical energy flux and non-reflecting boundary at the top, the atmosphere at rest becomes prone to a novel unstable mode. The validity of assuming a meridionally homogeneous flow is investigated via scale analysis. Numerical experiments were conducted, and Rayleigh damping was used as a numerical approximation for the non-reflecting top boundary. Our three main results are as follows. 1) Experiments involving the full Coriolis terms exhibit an exponentially growing instability, yet experiments subjected to the traditional approximation remain stable. 2) The experimental instability growth rate is close to the theoretical value. 3) A perturbed version of the unstable mode arises even under sub-optimal bottom boundary conditions. Finally, we conclude our study by discussing the limitations, implications, and remaining open questions. Specifically, the influence on numerical deep-atmosphere models and possible physical interpretations of the unstable mode are discussed., Comment: 39 pages, 12 figures