Diurnal variations of odd nitrogen and ionic densities in the mesosphere and lower thermosphere - Simultaneous solution of photochemical-diffusive equations
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Ogawa, T.↗
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Results for “diffusion equation”
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A numerical study of the steady scalar convective diffusion equation for small viscosity
A time-independent convection diffusin equation is studied by means of a compact finite difference scheme and numerical solutions are compared to the analytic inviscid solutions. The correct internal and external boundary layer behavior is observed, due to an inherent feature of the scheme which automatically produces upwind differencing in inviscid regions and the correct viscous behavior in viscous regions.
Giles, M. B.↗
Analysis of a new finite-difference scheme for the linear advection-diffusion equation
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Mickens, R. E.↗
Numerical Evaluation of P-Multigrid Method for the Solution of Discontinuous Galerkin Discretizations of Diffusive Equations
This paper describes numerical experiments with P-multigrid to corroborate analysis, validate the present implementation, and to examine issues that arise in the implementations of the various combinations of relaxation schemes, discretizations and P-multigrid methods. The two approaches to implement P-multigrid presented here are equivalent for most high-order discretization methods such as spectral element, SUPG, and discontinuous Galerkin applied to advection; however it is discovered that the approach that mimics the common geometric multigrid implementation is less robust, and frequently unstable when applied to discontinuous Galerkin discretizations of di usion. Gauss-Seidel relaxation converges 40% faster than block Jacobi, as predicted by analysis; however, the implementation of Gauss-Seidel is considerably more expensive that one would expect because gradients in most neighboring elements must be updated. A compromise quasi Gauss-Seidel relaxation method that evaluates the gradient in each element twice per iteration converges at rates similar to those predicted for true Gauss-Seidel.
Atkins, H. L.↗
The SMM Model as a Boundary Value Problem Using the Discrete Diffusion Equation
A generalized single step stepwise mutation model (SMM) is developed that takes into account an arbitrary initial state to a certain partial difference equation. This is solved in both the approximate continuum limit and the more exact discrete form. A time evolution model is developed for Y DNA or mtDNA that takes into account the reflective boundary modeling minimum microsatellite length and the original difference equation. A comparison is made between the more widely known continuum Gaussian model and a discrete model, which is based on modified Bessel functions of the first kind. A correction is made to the SMM model for the probability that two individuals are related that takes into account a reflecting boundary modeling minimum microsatellite length. This method is generalized to take into account the general n-step model and exact solutions are found. A new model is proposed for the step distribution.
Campbell, Joel↗
A Radiation Chemistry Code Based on the Green's Functions of the Diffusion Equation
No abstract available
Plante, Ianik↗
Numerical Treatment of Degenerate Diffusion Equations via Feller's Boundary Classification, and Applications
A numerical method is devised to solve a class of linear boundary-value problems for one-dimensional parabolic equations degenerate at the boundaries. Feller theory, which classifies the nature of the boundary points, is used to decide whether boundary conditions are needed to ensure uniqueness, and, if so, which ones they are. The algorithm is based on a suitable preconditioned implicit finite-difference scheme, grid, and treatment of the boundary data. Second-order accuracy, unconditional stability, and unconditional convergence of solutions of the finite-difference scheme to a constant as the time-step index tends to infinity are further properties of the method. Several examples, pertaining to financial mathematics, physics, and genetics, are presented for the purpose of illustration.
Cacio, Emanuela↗
A Radiation Chemistry Code Based on the Green's Function of the Diffusion Equation
Stochastic radiation track structure codes are of great interest for space radiation studies and hadron therapy in medicine. These codes are used for a many purposes, notably for microdosimetry and DNA damage studies. In the last two decades, they were also used with the Independent Reaction Times (IRT) method in the simulation of chemical reactions, to calculate the yield of various radiolytic species produced during the radiolysis of water and in chemical dosimeters. Recently, we have developed a Green's function based code to simulate reversible chemical reactions with an intermediate state, which yielded results in excellent agreement with those obtained by using the IRT method. This code was also used to simulate and the interaction of particles with membrane receptors. We are in the process of including this program for use with the Monte‐Carlo track structure code Relativistic Ion Tracks (RITRACKS). This recent addition should greatly expand the capabilities of RITRACKS, notably to simulate DNA damage by both the direct and indirect effect.
Plante, Ianik↗
Parameters of Neutron Diffusion Equation for Temperature Effect of MSRE
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Lee, Kyoung↗
Quantifying local and global mass balance errors in physics-informed neural networks
Physics-informed neural networks (PINN) have recently become attractive for solving partial differential equations (PDEs) that describe physics laws. By including PDE-based loss functions, physics laws such as mass balance are enforced softly in PINN. This paper investigates how mass balance constraints are satisfied when PINN is used to solve the resulting PDEs. We investigate PINN’s ability to solve the 1D saturated groundwater flow equations (diffusion equations) for homogeneous and heterogeneous media and evaluate the local and global mass balance errors. We compare the obtained PINN’s solution and associated mass balance errors against a two-point finite volume numerical method and the corresponding analytical solution. We also evaluate the accuracy of PINN in solving the 1D saturated groundwater flow equation with and without incorporating hydraulic heads as training data. We demonstrate that PINN’s local and global mass balance errors are significant compared to the finite volume approach. Tuning the PINN’s hyperparameters, such as the number of collocation points, training data, hidden layers, nodes, epochs, and learning rate, did not improve the solution accuracy or the mass balance errors compared to the finite volume solution. Mass balance errors could considerably challenge the utility of PINN in applications where ensuring compliance with physical and mathematical properties is crucial.
54 ENVIRONMENTAL SCIENCES↗
Equilibration in fermionic systems
Highlights: •Local equilibration in finite fermion systems is based on a nonlinear diffusion equation. •The fermionic diffusion equation is solved analytically in closed form. •The exact solutions agree with the numerical results. •Particle-number and energy conservation are shown to be fulfilled. •The model is applied to hadrons at low energies, and relativistic quarks. -- Abstract: The time evolution of a finite fermion system towards local statistical equilibrium is investigated using analytical solutions of a nonlinear partial differential equation that had been derived earlier from the Boltzmann collision term. The solutions of this fermionic diffusion equation are rederived in closed form, evaluated exactly for simplified initial conditions, and applied to hadron systems at low energies in the MeV-range, as well as to quark systems at relativistic energies in the TeV-range where antiparticle production is abundant. Conservation laws for particle number including created antiparticles, and for the energy are discussed.
71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
An asymptotic induced numerical method for the convection-diffusion-reaction equation
A parallel algorithm for the efficient solution of a time dependent reaction convection diffusion equation with small parameter on the diffusion term is presented. The method is based on a domain decomposition that is dictated by singular perturbation analysis. The analysis is used to determine regions where certain reduced equations may be solved in place of the full equation. Parallelism is evident at two levels. Domain decomposition provides parallelism at the highest level, and within each domain there is ample opportunity to exploit parallelism. Run time results demonstrate the viability of the method.
Scroggs, Jeffrey S.↗
Deposition of Colloidal Particles during the Evaporation of Sessile Drops: Dilute Colloidal Dispersions
The deposition of colloidal silica particles during the evaporation of sessile drops on a smooth substrate has been modeled by the simultaneous solution of the Navier–Stokes equations, the convective-diffusive equation for particles, and the diffusion equation for evaporated vapor in the gas phase. Isothermal conditions were assumed. A mapping was created to show the conditions for various deposition patterns for very dilute suspensions. Based on values of the Peclet (Pe) number and Damkholer numbers (Da and Da −1 ), the effects of adsorption and desorption were discussed according to the map. Simulations were also done for suspensions with a high particle concentration to form a solid phase during the evaporation by using a packing criterion. The simulations predicted the height and width of the ring deposit near the contact line, and the results compared favorably to experimental particle deposition patterns.
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
Symbolic regression development of empirical equations for diffusion in Lennard-Jones fluids
Symbolic regression (SR) with a multi-gene genetic program has been used to elucidate new empirical equations describing diffusion in Lennard-Jones (LJ) fluids. Some examples include equations to predict self-diffusion in pure LJ fluids and equations describing the finite-size correction for self-diffusion in binary LJ fluids. The performance of the SR-obtained equations was compared to that of both the existing empirical equations in the literature and to the results from artificial neural net (ANN) models recently reported. It is found that the SR equations have improved predictive performance in comparison to the existing empirical equations, even though employing a smaller number of adjustable parameters, but show an overall reduced performance in comparison to more extensive ANNs.
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
An implicit-explicit time splitting strategy for the far SOL plasma fluid model with DG-FEM discretization
We consider a far scrape-off layer (SOL) plasma fluid model of ions that is governed by a Braginskiitype model: a one-dimensional, nonlinear system of advection-diffusion equations coupled with a diffusion equation for neutral particles. Our motivation for studying this system arises from the coupling between the edge plasma and radio-frequency (RF) heating, where solving a far SOL plasma fluid model provides critical insights into edge plasma dynamics. Numerical simulations of plasma fluid models require advanced computational techniques to achieve both efficiency and accuracy, especially when resolving the boundary layer in magnetically confined plasmas. In this work, we propose an implicit-explicit time operator splitting strategy that allows for an efficient solution algorithm, where the diffusive terms are treated semi-implicitly requiring only a linear solve, while the advection part is handled explicitly using a strong-stability-preserving Runge-Kutta (SSP-RK3) scheme. This leads to a fully decoupled system in which the diffusion and advection sub-problems can be solved separately, simplifying the overall solution procedure and allowing for efficient parallelization, which is particularly relevant for exploring the impact of RF heating on the SOL plasma. The main challenge of the discretization is due to the strong coupling between diffusion and advection, particularly through the boundary conditions. This makes implementation of such a scheme in an accurate and stable manner nontrivial. We discuss in detail how to split the equations and manage boundary conditions to maintain stability and well-posedness for each subsystem. We also describe a spatial discretization approach, based on the discontinuous Galerkin finite element method (DG-FEM) and present numerical results for a one-dimensional system.
Burkovska, Olena [ORNL] (ORCID:0000000163101130)↗
Analysis of Anisotropic Nonlocal Diffusion Models: Well-posedness of Fractional Problems for Anomalous Transport
We analyze the well-posedness of an anisotropic, nonlocal diffusion equation. Establishing an equivalence between weighted and unweighted anisotropic nonlocal diffusion operators in the vein of unified nonlocal vector calculus, we apply our analysis to a class of fractional-order operators and present rigorous estimates for the solution of the corresponding anisotropic anomalous diffusion equation. Furthermore, we extend our analysis to the anisotropic diffusion-advection equation and prove well-posedness for fractional orders s ∊ [0.5, 1). We also present an application of the advection-diffusion equation to anomalous transport of solutes.
97 MATHEMATICS AND COMPUTING↗
Applications of NASTRAN to nuclear problems
The extent to which suitable solutions may be obtained for one physics problem and two engineering type problems is traced. NASTRAN appears to be a practical tool to solve one-group steady-state neutron diffusion equations. Transient diffusion analysis may be performed after new levels that allow time-dependent temperature calculations are developed. NASTRAN piecewise linear anlaysis may be applied to solve those plasticity problems for which a smooth stress-strain curve can be used to describe the nonlinear material behavior. The accuracy decreases when sharp transitions in the stress-strain relations are involved. Improved NASTRAN usefulness will be obtained when nonlinear material capabilities are extended to axisymmetric elements and to include provisions for time-dependent material properties and creep analysis. Rigid formats 3 and 5 proved to be very convenient for the buckling and normal-mode analysis of a nuclear fuel element.
Spreeuw, E.↗
Development and benchmarking of transient nodal code SIMULATE5-K neutron kinetics solver
SIMULATE5-K is Studsvik's next generation best estimate transient code. The time dependent diffusion equation is solved with a nodal method consistent with that implemented in the licensed core design code SIMULATE5. Arbitrary number of neutron and delayed neutron precursor groups can be used. For the solution of the spatial problem, the coupling coefficients used to relate the node leakages are found by first converting the time dependent diffusion equation to a static diffusion equation with the use of flux and delayed neutron precursor dynamic frequencies. Once the static-like equations are obtained, the multi-group analytical nodal model is used to obtain the coupling coefficients, expressing the node leakage in terms of adjacent node average fluxes. The coupling coefficients are then inserted into the time dependent nodal balance equation. For the time integration, the time dependent neutron balance equation is solved with the frequency transformation method. The treatment of the temporal dependence yields a fixed source problem which can be solved utilizing the existing fixed-source methodology. The primary purpose of this paper is to describe the neutron kinetics methodology implemented in SIMULATE5-K. The accuracy of the method is demonstrated for a series of well-known, neutronic-only benchmark problems. (author)
21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗