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We present a novel method to improve pharmacokinetics modeling, an essential step of drug development. Conventional models frequently fail to fully represent the intricacies of drug absorption and distribution, which limits their predictive…

Quantitative Methods · Quantitative Biology 2024-12-31 Nazanin Ahmadi , Shupeng Wang , George Karniadakis

Diffusion in a multidimensional energy surface with minima and barriers is a problem of importance in statistical mechanics and also has wide applications, such as protein folding. To understand it in such a system, we carry out theory and…

Statistical Mechanics · Physics 2022-06-29 Subhajit Acharya , Biman Bagchi

We study the influence of the boundary conditions at the solid liquid interface on diffusion in a confined fluid. Using an hydrodynamic approach, we compute numerical estimates for the diffusion of a particle confined between two planes.…

Materials Science · Physics 2015-06-25 Anthony Saugey , Laurent Joly , Christophe Ybert , Jean-Louis Barrat , Lyderic Bocquet

In this work, we deal with a mathematical model describing the dissolution process of irregularly shaped particles. In particular, we consider a complete dissolution model accounting for both surface kinetics and convective diffusion, for…

Dynamical Systems · Mathematics 2025-09-26 Emiliano Cristiani , Mario Grassi , Francesca L. Ignoto , Giuseppe Pontrelli

The function of many membrane-enclosed intracellular structures relies on release of diffusing particles that exit through narrow pores or channels in the membrane. The rate of release varies with pore size, density, and length of the…

Biological Physics · Physics 2023-02-08 Zitao Yang , Elena F. Koslover

We consider systems of particles hopping stochastically on $d$-dimensional lattices with space-dependent probabilities. We map the master equation onto an evolution equation in a Fock space where the dynamics are given by a quantum…

Condensed Matter · Physics 2007-05-23 Gunter Schuetz , Sven Sandow

In the present work, we investigate the potential of fractional derivatives to model atmospheric dispersion of pollutants. We propose simple fractional differential equation models for the steady state spatial distribution of concentration…

Atmospheric and Oceanic Physics · Physics 2017-02-22 A. G. O. Goulart , M. J. Lazo , J. M. S. Suarez , D. M. Moreira

A finite difference method is constructed to solve singularly perturbed convection-diffusion problems posed on smooth domains. Constraints are imposed on the data so that only regular exponential boundary layers appear in the solution. A…

Numerical Analysis · Mathematics 2021-12-23 Alan F. Hegarty , Eugene O'Riordan

Diffusion of chemicals or tracer molecules through complex systems containing irregularly shaped channels is important in many applications. Most theoretical studies based on the famed Fick-Jacobs equation focus on the idealised case of…

Statistical Mechanics · Physics 2014-12-24 Max Bauer , Aljaz Godec , Ralf Metzler

We propose certain approach of solving two-dimensional non-stationary and stationary advection-diffusion-reaction boundary value problems through their reduction to the set of corresponding one-dimensional problems. This method leverages…

Numerical Analysis · Mathematics 2024-11-19 R. Drebotiy , H. Shynkarenko

The purpose of this work is to find the time dependent distributions of directions and positions of a particle that undergoes multiple elastic scattering. The angular cross section is given and the scatterers are randomly placed. The…

Disordered Systems and Neural Networks · Physics 2007-05-23 Ricardo Garcia-Pelayo

A detailed analytical model has been developed to simulate isotope-release curves from thin-foils ISOL targets. It involves the separate modelling of diffusion and effusion inside the target. The former has been modelled using both first…

Computational Physics · Physics 2016-08-03 Luca Egoriti , Stef Boeckx , Lars Ghys , Donald Houngbo , Lucia Popescu

In Clearing Up Mysteries -- The Original Goal (Maximum Entropy and Bayesian Methods: Cambridge, England, 1988 Springer, pp. 1-27) Jaynes derived Fick's Law for a dilute binary solution from Bayes' Theorem by considering, probabilistically,…

Statistical Mechanics · Physics 2024-07-02 Peter E. Price

We consider numerical solution of elliptic problems with heterogeneous diffusion coefficients containing thin highly conductive structures. Such problems arise e.g. in fractured porous media, reinforced materials, and electric circuits. The…

Numerical Analysis · Mathematics 2020-07-22 Fredrik Hellman , Axel Målqvist , Siyang Wang

We introduce two discrete models of a collection of colliding particles with stored momentum and study the asymptotic growth of the mean-square displacement of an active particle. We prove that the models are superdiffusive in one dimension…

Probability · Mathematics 2020-01-08 Edward Crane , Sean Ledger , Balint Toth

The global importance of effective and affordable pesticides to optimise crop yield and to support health of our growing population cannot be understated. But to develop new products or refine existing ones in response to climate and…

Dynamical Systems · Mathematics 2022-10-21 J. Delos Reyes , T. Shardlow , M. B. Delgado-Charro , S. Webb , K. A. J. White

In this paper, we explore the solvability and the optimal control problem for a compartmental model based on reaction-diffusion partial differential equations describing a transmissible disease. The nonlinear model takes into account the…

Optimization and Control · Mathematics 2023-08-25 Pierluigi Colli , Gianni Gilardi , Gabriela Marinoschi

In this paper we detail the mechanisms that drive substitutional binary diffusion and derive appropriate governing equations. We focus on the one-dimensional case with insulated boundary conditions. Asymptotic expansions are used in order…

Statistical Mechanics · Physics 2019-11-19 Helena Ribera , Brian Wetton , Timothy Myers

In this paper, we derive an effective model for transport processes in periodically perforated elastic media, taking into account, e.g., cyclic elastic deformations as they occur in lung tissue due to respiratory movement. The underlying…

Analysis of PDEs · Mathematics 2022-06-15 Jonas Knoch , Markus Gahn , Maria Neuss-Radu , Nicolas Neuß

Diffusion models have demonstrated exceptional performances in various fields of generative modeling, but suffer from slow sampling speed due to their iterative nature. While this issue is being addressed in continuous domains, discrete…

Machine Learning · Computer Science 2025-05-12 Satoshi Hayakawa , Yuhta Takida , Masaaki Imaizumi , Hiromi Wakaki , Yuki Mitsufuji