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In this work, an open-source computational–statistical platform to obtain synthetic homogeneous isotropic turbulent flow and passive scalar transport is presented. A parallel implementation of the well-known pseudo-spectral method in addition to the comprehensive record of the statistical and small-scale quantities of the turbulent transport are offered for executing on distributed memory CPU-based supercomputers. The user-friendly workflow and easy-to-run design of the developed package are disclosed through an extensive and step-by-step example. The resulting low- and high-order statistical records vividly verify a well-established and fully developed turbulent state as well as the seamless statistical balance of conservation laws. The post-processing tools provided in this platform would allow the user to easily construct multiple important transport quantities from primitive turbulent fields. The programming codes for this tool are accessible through GitHub (see Data Availability Statement). 

In this study, we revisit the spectral transfer model for the turbulent intensity in passive scalar transport (under large-scale anisotropic forcing), and a subsequent modification to the scaling of scalar variance cascade is presented. From the modified spectral transfer model, we obtain a revised scalar transport model using a fractional-order Laplacian operator that facilitates the robust inclusion of the non-local effects originating from large-scale anisotropy transferred across the multitude of scales in the turbulent cascade. We provide ana prioriestimate for the non-local model based on the scaling analysis of the scalar spectrum, and later examine our developed model through direct numerical simulation. We present a detailed analysis on the evolution of the scalar variance, high-order statistics of the scalar gradient and important two-point statistical metrics of the turbulent transport to make a comprehensive comparison between the non-local model and its standard version. Finally, we present an analysis that seamlessly reconciles the similarities between the developed model with the fractional-order subgrid-scale scalar flux model for large-eddy simulation (Akhavan-Safaeiet al.,J. Comput. Phys., vol. 446, 2021, 110571) when the filter scale approaches the dissipative scales of turbulent transport. In order to perform this task, we employ a Gaussian process regression model to predict the model coefficient for the fractional-order subgrid model. 

Extensive experimental evidence highlights that scalar turbulence exhibits anomalous diffusion and stronger intermittency levels at small scales compared to that in fluid turbulence. This renders the corresponding subgrid-scale dynamics modeling for scalar turbulence a greater challenge to date. We develop a new large eddy simulation (LES) paradigm for efficiently and dynamically nonlocal LES modeling of the scalar turbulence. To this end, we formulate the underlying nonlocal model starting from the filtered Boltzmann kinetic transport equation, where the divergence of subgrid-scale scalar fluxes emerges as a fractional-order Laplacian term in the filtered advection–diffusion model, coding the corresponding superdiffusive nature of scalar turbulence. Subsequently, we develop a robust data-driven algorithm for estimation of the fractional (noninteger) Laplacian exponent, where we, on the fly, calculate the corresponding model coefficient employing a new dynamic procedure. Our a priori tests show that our new dynamically nonlocal LES paradigm provides better agreement with the ground-truth filtered direct numerical simulation data in comparison to the conventional static and dynamic Prandtl–Smagorinsky models. Moreover, in order to analyze the numerical stability and assessing the model's performance, we carry out comprehensive a posteriori tests. They unanimously illustrate that our new model considerably outperforms other existing functional models, correctly predicting the backscattering phenomena and, at the same time, providing higher correlations at small-to-large filter sizes. We conclude that our proposed nonlocal subgrid-scale model for scalar turbulence is amenable for coarse LES and very large eddy simulation frameworks even with strong anisotropies, applicable to environmental applications. 

The presence of non-local interactions and intermittent signals in the homogeneous isotropic turbulence grant multi-point statistical functions a key role in formulating a new generation of large-eddy simulation (LES) models of higher fidelity. We establish a tempered fractional-order modelling framework for developing non-local LES subgrid-scale models, starting from the kinetic transport. We employ a tempered Lévy-stable distribution to represent the source of turbulent effects at the kinetic level, and we rigorously show that the corresponding turbulence closure term emerges as the tempered fractional Laplacian, $$(\varDelta +\lambda )^{\alpha } (\cdot )$$ , for $$\alpha \in (0,1)$$ , $$\alpha \neq \frac {1}{2}$$ and $$\lambda >0$$ in the filtered Navier–Stokes equations. Moreover, we prove the frame invariant properties of the proposed model, complying with the subgrid-scale stresses. To characterize the optimum values of model parameters and infer the enhanced efficiency of the tempered fractional subgrid-scale model, we develop a robust algorithm, involving two-point structure functions and conventional correlation coefficients. In an a priori statistical study, we evaluate the capabilities of the developed model in fulfilling the closed essential requirements, obtained for a weaker sense of the ideal LES model (Meneveau, Phys. Fluids , vol. 6, issue 2, 1994, pp. 815–833). Finally, the model undergoes the a posteriori analysis to ensure the numerical stability and pragmatic efficiency of the model.