Closure Approximation Research Articles

A generalized kinetic theory of Ostwald ripening in porous media

Partially miscible bubbles (e.g., CO2) trapped inside a porous medium and surrounded by a wetting phase (e.g., water) occur in a number of applications including underground hydrogen storage, geologic carbon sequestration, and the operation of electrochemcial devices such as fuel cells and electrolyzers. Such bubbles evolve due to a process called Ostwald ripening that is driven by differences in their interfacial curvature. For spherical bubbles, small bubbles shrink and vanish while feeding into larger ones, resulting in one large bubble at equilibrium. Within the confinement of a porous medium, however, bubbles can attain a distribution of sizes at equilibrium that have identical curvature. This work concerns itself with the formulation of a kinetic theory that predicts the statistical evolution of bubble states, defined as the sizes of the pores within which bubbles are trapped and the extent to which those pores are saturated with bubbles. The theory consists of a population balance equation and appropriate closure approximations. Systematic comparisons against a previously published pore network model (PNM) are conducted to validate the theory. Our theory generalizes existing variants in the literature limited to spherical bubbles trapped in homogeneous media to non-spherical (deformed) bubbles inside microstructures with arbitrary heterogeneity and spatial correlation in pore/throat sizes. We discuss the applicability, limitations, and implications of the theory towards future extensions.

Closure to the PRISM equation derived from nonlinear response theory.

Nonlinear response theory is employed to derive a closure to the polymer reference interaction site model equation. The closure applies to a liquid of neutral polymers at melt densities. It can be considered a molecular generalization of the mean spherical approximation (MSA) closure of Lebowitz and Percus to the atomic Ornstein-Zernike (OZ) equation and is similar in some aspects to the reference "molecular" MSA (R-MMSA) closure of Schweizer and Yethiraj to PRISM. For a model binary blend of freely-jointed chains, the new closure predicts an unmixing critical temperature, Tc, via the susceptibility route that scales linearly with molecular weight, N, in agreement with Flory theory. Predictions for Tc of the new closure differ greatest from those of the R-MMSA at intermediate N, the latter being about 40% higher than the former there, but at large N, both theories give about the same values. For an isotopic blend of polyethylene, the new and R-MMSA closures predict a Tc about 25% higher than the experimental value, which is only moderately less accurate than the prediction of atomic OZ-MSA theory for Tc of methane. In this way, the derivation and its consequences help to identify the ingredients in a theory needed to properly model the equilibrium properties of a polymeric liquid at both short and long lengthscales.

Statistical Dynamics and Subgrid Modelling of Turbulence: From Isotropic to Inhomogeneous

Turbulence is the most important, ubiquitous, and difficult problem of classical physics. Feynman viewed it as essentially unsolved, without a rigorous mathematical basis to describe the statistical dynamics of this most complex of fluid motion. However, the paradigm shift came in 1959, with the formulation of the Eulerian direct interaction approximation (DIA) closure by Kraichnan. It was based on renormalized perturbation theory, like quantum electrodynamics, and is a bare vertex theory that is manifestly realizable. Here, we review some of the subsequent exciting achievements in closure theory and subgrid modelling. We also document in some detail the progress that has been made in extending statistical dynamical turbulence theory to the real world of interactions with mean flows, waves and inhomogeneities such as topography. This includes numerically efficient inhomogeneous closures, like the realizable quasi-diagonal direct interaction approximation (QDIA), and even more efficient Markovian Inhomogeneous Closures (MICs). Recent developments include the formulation and testing of an eddy-damped Markovian anisotropic closure (EDMAC) that is realizable in interactions with transient waves but is as efficient as the eddy-damped quasi-normal Markovian (EDQNM). As a similarly efficient closure, the realizable eddy-damped Markovian inhomogeneous closure (EDMIC) has been developed. Moreover, we present subgrid models that cater for the complex interactions that occur in geophysical flows. Recent progress includes the determination of complete sets of subgrid terms for skilful large-eddy simulations of baroclinic inhomogeneous turbulent atmospheric and oceanic flows interacting with Rossby waves and topography. The success of these inhomogeneous closures has also led to further applications in data assimilation and ensemble prediction and generalization to quantum fields.

Unveiling the intricacies: Analytical insights into time and space fractional order inviscid burger's equations using adomian decomposition method

In this study, we analyze complex partial differential equations, specifically focusing on nonlinear fractional-order Inviscid Burger's equations. By employing the Adomian Decomposition Method, we develop analytical approximations in the form of convergent series to solve these equations with time and space fractional derivatives in the Caputo sense. Our approach provides explicit, efficient, and highly accurate solutions, which we verify against exact solutions, eliminating the need for closure approximations and perturbation theory. We present our findings through detailed tables and graphs, offering valuable insights into the behavior of the solutions. This work advances analytical techniques and establishes a foundation for new applications in various scientific and engineering fields.

Epicardial placement of human placental membrane allografts in coronary artery bypass graft surgery is associated with reduced postoperative atrial fibrillation: a pilot study for a future multi-center randomized controlled trial

BackgroundPost-operative atrial fibrillation (POAF) occurs in up to 40% of patients following coronary artery bypass grafting (CABG) and is associated with a higher risk of stroke and mortality. This study investigates how POAF may be mitigated by epicardial placement of aseptically processed human placental membrane allografts (HPMAs) before pericardial closure in CABG surgery. This study was conducted as a pilot feasibility study to collect preliminary for a forthcoming multi-center randomized controlled trial.MethodsThis retrospective observational study of patients undergoing CABG surgery excluded patients with pre-operative heart failure, chronic kidney disease, or a history of atrial fibrillation. The “treatment” group (n = 24) had three HPMAs placed epicardially following cardiopulmonary bypass decannulation but before partial pericardial approximation and chest closure. The only difference in clinical protocol for the control group (n = 54) was that they did not receive HPMA.ResultsHPMA-treated patients saw a significant, greater than four-fold reduction in POAF incidence compared to controls (35.2–8.3%, p = 0.0136). Univariate analysis demonstrated that HPMA treatment was associated with an 83% reduction in POAF (OR = 0.17, p = 0.0248). Multivariable analysis yielded similar results (OR = 0.07, p = 0.0156) after controlling for other covariates. Overall length of stay (LOS) between groups was similar, but ICU LOS trended lower with HPMA treatment (p = 0.0677). Post-operative inotrope and vasopressor requirements were similar among groups. There was no new-onset post-operative heart failure, stroke, or death reported up to thirty days in either group.ConclusionsEpicardial HPMA placement can be a simple intervention at the end of CABG surgery that may provide a new approach to reduce post-operative atrial fibrillation by modulating local inflammation, possibly reducing ICU and hospital stay, and ultimately improving patient outcomes.

Turbulence and Rossby Wave Dynamics with Realizable Eddy Damped Markovian Anisotropic Closure

The theoretical basis for the Eddy Damped Markovian Anisotropic Closure (EDMAC) is formulated for two-dimensional anisotropic turbulence interacting with Rossby waves in the presence of advection by a large-scale mean flow. The EDMAC is as computationally efficient as the Eddy Damped Quasi Normal Markovian (EDQNM) closure, but, in contrast, is realizable in the presence of transient waves. The EDMAC is arrived at through systematic simplification of a generalization of the non-Markovian Direct Interaction Approximation (DIA) closure that has its origin in renormalized perturbation theory. Markovian Anisotropic Closures (MACs) are obtained from the DIA by using three variants of the Fluctuation Dissipation Theorem (FDT) with the information in the time history integrals instead carried by Markovian differential equations for two relaxation functions. One of the MACs is simplified to the EDMAC with analytical relaxation functions and high numerical efficiency, like the EDQNM. Sufficient conditions for the EDMAC to be realizable in the presence of Rossby waves are determined. Examples of the numerical integration of the EDMAC compared with the EDQNM are presented for two-dimensional isotropic and anisotropic turbulence, at moderate Reynolds numbers, possibly interacting with Rossby waves and large-scale mean flow. The generalization of the EDMAC for the statistical dynamics of other physical systems to higher dimension and higher order nonlinearity is considered.

Predicting the Slowing of Stellar Differential Rotation by Instability-driven Turbulence

Differentially rotating stars and planets transport angular momentum (AM) internally due to turbulence at rates that have long been a challenge to predict reliably. We develop a self-consistent saturation theory, using a statistical closure approximation, for hydrodynamic turbulence driven by the axisymmetric Goldreich–Schubert–Fricke instability at the stellar equator with radial differential rotation. This instability arises when fast thermal diffusion eliminates the stabilizing effects of buoyancy forces in a system where a stabilizing entropy gradient dominates over the destabilizing AM gradient. Our turbulence closure invokes a dominant three-wave coupling between pairs of linearly unstable eigenmodes and a near-zero frequency, viscously damped eigenmode that features latitudinal jets. We derive turbulent transport rates of momentum and heat and provide them in analytic forms. Such formulae, free of tunable model parameters, are tested against direct numerical simulations; the comparison shows good agreement. They improve upon prior quasi-linear or “parasitic saturation” models containing a free parameter. Given model correspondences, we also extend this theory to heat and compositional transport for axisymmetric thermohaline-instability-driven turbulence in certain regimes.

Theory of Majorana-Type Heavy Ion Double Charge Exchange Reactions by Pion–Nucleon Isotensor Interactions

The theory of heavy ion double charge exchange (DCE) reactions proceeding by effective rank-2 isotensor interactions is presented. Virtual pion–nucleon charge exchange interactions are investigated as the source for induced isotensor interactions, giving rise to the Majorana DCE (MDCE) reaction mechanism. MDCE is of a generic character, proceeding through pairs of complementary (π±,π∓) reactions in the projectile and target nucleus. The dynamics of the elementary processes is discussed, where the excitation of pion–nucleon resonances are of central importance. Investigations of initial and final state ion–ion interactions show that these effects are acting as vertex renormalizations. In closure approximation, well justified by the finite pion mass, the second-order transition matrix elements reduce to pion potentials and effective two-body isotensor DCE interactions, giving rise also to two-body correlations in either of the participating nuclei. Connections to neutrinoless Majorana double beta decay (MDBD) are elucidated at various levels of the dynamics, from the underlying fundamental electro-weak and QCD scales to the physical scales of nuclear MDBD and MDCE physics. It is pointed out that heavy ion MDCE reactions may also proceed by competing electro-weak charge exchange processes, leading to lepton MDCE by electrons, positrons, and neutrinos.

Single-Valued Neutrosophic Roughness via Ideals

In this paper, we connect the idea of single-valued neutrosophic ideal to the concept of single-valued neutrosophic approximation space to define the concept of single-valued neutrosophic ideal approximation spaces. We present the single-valued neutrosophic ideal approximation interior operator intψΦ and the single-valued neutrosophic ideal approximation closure operator clψΦ, and we present the single-valued neutrosophic ideal approximation preinterior operator pintψΦ and the single-valued neutrosophic ideal approximation pre-closure operator pclψΦ about this concerning single-valued neutrosophic ideal defined on the single-valued neutrosophic approximation space (χ˜,ϕ) related with some single-valued neutrosophic set ψ∈ξχ˜. Also, we present single-valued neutrosophic separation axioms, single-valued neutrosophic connectedness, and single-valued neutrosophic compactness in single-valued neutrosophic approximation spaces and single-valued neutrosophic ideal approximation spaces as well, and prove the associations in between.

A maximum-entropy length-orientation closure for short-fiber reinforced composites

We describe an algorithm for generating fiber-filled volume elements for use in computational homogenization schemes which accounts for a coupling of the fiber-length and the fiber-orientation. For prescribed fiber-length distribution and fiber-orientation tensor of second order, a maximum-entropy estimate is used to produce a fiber-length-orientation distribution which mimics real injection molded specimens, where longer fibers show a stronger alignment than shorter fibers. We derive the length-orientation closure from scratch, discuss its integration into the sequential addition and migration algorithm for generating fiber-filled microstructures for industrial volume fractions and investigate the resulting effective elastic properties. We demonstrate that accounting for the length-orientation coupling permits to match the measured Young’s moduli in principal fiber direction and transverse to it more accurately than for closure approximations ignoring the length-orientation coupling.

Induced Isotensor Interactions in Heavy-Ion Double-Charge-Exchange Reactions and the Role of Initial and Final State Interactions

The role of initial state (ISI) and final state (FSI) ion–ion interactions in heavy-ion double-charge-exchange (DCE) reactions A(Z,N)→A(Z±2,N∓2) are studied for double single-charge-exchange (DSCE) reactions given by sequential actions of the isovector nucleon–nucleon (NN) T-matrix. In momentum representation, the second-order DSCE reaction amplitude is shown to be given in factorized form by projectile and target nuclear matrix elements and a reaction kernel containing ISI and FSI. Expanding the intermediate propagator in a Taylor series with respect to auxiliary energy allows us to perform the summation in the leading-order term over intermediate nuclear states in closure approximation. The nuclear matrix element attains a form given by the products of two-body interactions directly exciting the n2p−2 and p2n−2 DCE transitions in the projectile and the target nucleus, respectively. A surprising result is that the intermediate propagation induces correlations between the transition vertices, showing that DSCE reactions are a two-nucleon process that resembles a system of interacting spin–isospin dipoles. Transformation of the DSCE NN T-matrix interactions from the reaction theoretical t-channel form to the s-channel operator structure required for spectroscopic purposes is elaborated in detail, showing that, in general, a rich spectrum of spin scalar, spin vector and higher-rank spin tensor multipole transitions will contribute to a DSCE reaction. Similarities (and differences) to two-neutrino double-beta decay (DBD) are discussed. ISI/FSI distortion and absorption effects are illustrated in black sphere approximation and in an illustrative application to data.

Single-Valued Neutrosophic Ideal Approximation Spaces

In this paper, we defined the basic idea of the single-valued neutrosophic upper (αn)δ, single-valued neutrosophic lower (αn)δ and single-valued neutrosophic boundary sets (αn)B of a rough single-valued neutrosophic set αn in a single-valued neutrosophic approximation space (F˜, δ). Based on αn and δ, we introduced the single-valued neutrosophic ideal approximation interior operator intδαn and the single-valued neutrosophic ideal approximation closure operator Clδαn. We joined the single-valued neutrosophic ideal notion with the single-valued neutrosophic approximation spaces and then introduced the single-valued neutrosophic ideal approximation closure and interior operators associated with a rough single-valued neutrosophic set αn. single-valued neutrosophic ideal approximation connectedness and the single-valued neutrosophic ideal approximation continuity between single-valued neutrosophic ideal approximation spaces are introduced. The concepts of single-valued neutrosophic groups and their approximations have also been applied in the development of fuzzy systems, enhancing their ability to model and reason using uncertain and imprecise information.

Perspectives toward Stochastic and Learned-by-Data Turbulence in Numerical Weather Prediction

Abstract The increased social need for more precise and reliable weather forecasts, especially when focusing on extreme weather events, pushes forward research and development in meteorology toward novel numerical weather prediction (NWP) systems that can provide simulations that resolve atmospheric processes on hectometric scales on demand. Such high-resolution NWP systems require a more detailed representation of the nonresolved processes, i.e., usage of scale-aware schemes for convection and three-dimensional turbulence (and radiation), which would additionally increase the computation needs. Therefore, developing and applying comprehensive, reliable, and computationally acceptable parameterizations in NWP systems is of urgent importance. All operationally used NWP systems are based on averaged Navier–Stokes equations, and thus require an approximation for the small-scale turbulent fluxes of momentum, energy, and matter in the system. The availability of high-fidelity data from turbulence experiments and direct numerical simulations has helped scientists in the past to construct and calibrate a range of turbulence closure approximations (from the relatively simple to more complex), some of which have been adopted and are in use in the current operational NWP systems. The significant development of learned-by-data (LBD) algorithms over the past decade (e.g., artificial intelligence) motivates engineers and researchers in fluid dynamics to explore alternatives for modeling turbulence by directly using turbulence data to quantify and reduce model uncertainties systematically. This review elaborates on the LBD approaches and their use in NWP currently, and also searches for novel data-informed turbulence models that can potentially be used and applied in NWP. Based on this literature analysis, the challenges and perspectives to do so are discussed.

Perturbative Expansion in Reciprocal Space: Bridging Microscopic and Mesoscopic Descriptions of Molecular Interactions.

Determining the Fourier representation of various molecular interactions is important for constructing density-based field theories from a microscopic point of view, enabling a multiscale bridge between microscopic and mesoscopic descriptions. However, due to the strongly repulsive nature of short-ranged interactions, interparticle interactions cannot be formally defined in Fourier space, which renders coarse-grained (CG) approaches in k-space somewhat ambiguous. In this paper, we address this issue by designing a perturbative expansion of pair interactions in reciprocal space. Our perturbation theory, starting from reciprocal space, elucidates the microscopic origins underlying zeroth-order (long-range attractions) and divergent repulsive interactions from higher order contributions. We propose a systematic framework for constructing a faithful Fourier-space representation of molecular interactions, capturing key structural correlations in various systems, including simple model systems and molecular CG models of liquids. Building upon the Ornstein-Zernike equation, our approach can be combined with appropriate closure relations, and to further improve the closure approximations, we develop a bottom-up parameterization strategy for inferring the bridge function from microscopic statistics. By incorporating the bridge function into the Fourier representation, our findings suggest a systematic, bottom-up approach to performing coarse-graining in reciprocal space, leading to the systematic construction of a bottom-up classical field theory of complex aqueous systems.

Modeling Double Charge Exchange processes occurring in Heavy Ion Reactions

Heavy ion induced double charge exchange reactions are treated as an incoherent sequence of two reactions driven by the exchange of charged mesons (double single charge exchange, DSCE). The process is described within a fully quantum mechanical distorted wave 2-step theory (2nd order DWBA). The DSCE reaction amplitudes are shown to be separable into superpositions of distortion factors, accounting for initial and final state ion-ion elastic interactions, and nuclear matrix elements (NMEs). Explicit expressions of projectile and target NMEs are derived within the QRPA theory. Reduction schemes for the DSCE transition form factors are described, analizing their momentum structure within the closure approximation. Formal analogies between the NMEs involved in DSCE reactions and in double beta decays are also pointed out. Results, obtained within this theoretical framework, are illustrated for the reaction 40Ca (18O, 18Ne)40Ar at 15.3 AMeV and compared to the data measured at INFN-LNS by the NUMEN Collaboration. Furthermore, preliminary results for reactions involving heavier systems, such as 76Se (18O, 18Ne)76Ge, are shown.

Formal theory of heavy ion double charge exchange reactions

The theory of heavy ion double charge exchange (DCE) reactions A(Z, N) → A(Z ± 2, N ∓ 2) is recapitulated emphasizing the role of Double Single Charge Exchange (DSCE) and pion-nucleon Majorana DCE (MDCE) reactions. DSCE reactions are of second–order distorted wave character, mediated by isovector nucleon-nucleon (NN) interactions. The DSCE response functions resemble the nuclear matrix elements (NME) of 2ν2β decay. The MDCE process proceeds by a dynamically generated effective rank-2 isotensor interaction, defined by off–shell pion–nucleon DCE scattering. In closure approximation pion potentials and two–nucleon correlations are obtained, similar to the neutrino potentials and the intranuclear exchange of Majorana neutrinos in 0ν2β Majorana double beta decay (MDBD).

Unified treatment of mean-field dynamo and angular-momentum transport in magnetorotational instability-driven turbulence.

Magnetorotational instability-driven (MRI-driven) turbulence and dynamo phenomena are analyzed using direct statistical simulations. Our approach begins by developing a unified mean-field model that combines the traditionally decoupled problems of the large-scale dynamo and angular momentum transport in accretion disks. The model consists of a hierarchical set of equations, capturing up to the second-order correlators, while a statistical closure approximation is employed to model the three-point correlators. We highlight the web of interactions that connect different components of stress tensors-Maxwell, Reynolds, and Faraday-through shear, rotation, correlators associated with mean fields, and nonlinear terms. We determine the dominant interactions crucial for the development and sustenance of MRI turbulence. Our general mean-field model for the MRI-driven system allows for a self-consistent construction of the electromotive force, inclusive of inhomogeneities and anisotropies. Within the realm of large-scale magnetic field dynamo, we identify two key mechanisms-the rotation-shear-current effect and the rotation-shear-vorticity effect-that are responsible for generating the radial and vertical magnetic fields, respectively. We provide the explicit (nonperturbative) form of the transport coefficients associated with each of these dynamo effects. Notably, both of these mechanisms rely on the intrinsic presence of large-scale vorticity dynamo within MRI turbulence.

A local polynomial moment approximation for compartmentalized biochemical systems

Compartmentalized biochemical reactions are a ubiquitous building block of biological systems. The interplay between chemical and compartmental dynamics can drive rich and complex dynamical behaviors that are difficult to analyze mathematically — especially in the presence of stochasticity. We have recently proposed an effective moment equation approach to study the statistical properties of compartmentalized biochemical systems. So far, however, this approach is limited to polynomial rate laws and moreover, it relies on suitable moment closure approximations, which can be difficult to find in practice. In this work we propose a systematic method to derive closed moment dynamics for compartmentalized biochemical systems. We show that for the considered class of systems, the moment equations involve expectations over functions that factorize into two parts, one depending on the molecular content of the compartments and one depending on the compartment number distribution. Our method exploits this structure and approximates each function with suitable polynomial expansions, leading to a closed system of moment equations. We demonstrate the method using three systems inspired by cell populations and organelle networks and study its accuracy across different dynamical regimes.

Measuring many-body distribution functions in fluids using test-particle insertion.

We derive a hierarchy of equations, which allow a general n-body distribution function to be measured by test-particle insertion of between 1 and n particles. We apply it to measure the pair and three-body distribution functions in a simple fluid using snapshots from Monte Carlo simulations in the grand canonical ensemble. The resulting distribution functions obtained from insertion methods are compared with the conventional distance-histogram method: the insertion approach is shown to overcome the drawbacks of the histogram method, offering enhanced structural resolution and a more straightforward normalization. At high particle densities, the insertion method starts breaking down, which can be delayed by utilizing the underlying hierarchical structure of the insertion method. Our method will be especially useful in characterizing the structure of inhomogeneous fluids and investigating closure approximations in liquid state theory.

Dual transition scheme on [formula omitted]-equation model

The proposed model integrates two transition mechanisms into the turbulent kinetic energy (k-equation) turbulence framework, assisted by transition representatives. These include a “flow-structure-adaptive” stress-intensity parameter, which induces the pre-transitional/pseudo-laminar state before transition, and an intermittency factor, which facilitates the prediction of flow transition onset and completion with a feasible growth rate and a logical transition length. The algebraic transition model introduces new functions and correlations, which are based on theoretical and experimental evidence. These elements stimulate multiple transition phenomena in a suitable and credible way due to their reliance on local flow information for initiating and controlling the transition growth rate. With the employment of an algebraic closure for the dissipation rate, the k-equation directly anticipates the free-stream turbulence intensity instead of the free-stream “eddy-to-laminar” viscosity ratio (Rμ∞). This approach avoids the “trial-and-error” inconsistency typically associated with most correlation-based and physics-based transition models when initiating appropriate computations. The independence of the algebraic transition model from Rμ∞ offers substantial benefits in predictive capability over traditional transition models. However, the quality of performance might fluctuate, contingent on the closure approximations adopted. This detail is of immense importance for accurately depicting the pertinent physical characteristics of the flow, such as bypass, natural, and separation-induced transitions. Numerical results indicate that the current model, whether equipped with algebraic transition additives or not, aligns well with both existing experimental data and commonly used transition and non-transition models. The new transition model has decent agreement with the transitional boundary layer on a flat plate, and transitional flow over an airfoil with laminar and turbulent separation bubbles.