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The precise description of quantum nuclear fluctuations in atomistic modelling is possible by employing path integral techniques, which involve a considerable computational overhead due to the need of simulating multiple replicas of the…

Chemical Physics · Physics 2017-03-23 Venkat Kapil , Jörg Behler , Michele Ceriotti

Quantum percolation describes the problem of a quantum particle moving through a disordered system. While certain similarities to classical percolation exist, the quantum case has additional complexity due to the possibility of Anderson…

Quantum Physics · Physics 2014-10-03 C. M. Chandrashekar , Th. Busch

Macroscopic properties of heterogeneous media are frequently modelled by regular lattice models, which are based on a relatively small basic cluster of lattice sites. Here, we extend one of such models to any cluster's size kxk. We also…

Statistical Mechanics · Physics 2015-03-24 W. Olchawa , R. Wiśniowski , D. Frączek , R. Piasecki

It has been shown recently that changing the fluidic properties of a drug can improve its efficacy in ablating solid tumors. We develop a modeling framework for tumor ablation, and present the simplest possible model for drug diffusion in a…

Cell Behavior · Quantitative Biology 2018-12-20 Aminur Rahman , Souparno Ghosh , Ranadip Pal

Convection-diffusion equation is used to describe particle migration process in many fields, while it is proposed based on the empirical Fick's law. In this paper, with the help of the percolation model, we theoretically investigate the…

Soft Condensed Matter · Physics 2023-02-08 Sheng Zhang , Tong Zhang , Jing-Jing Su , Dai-Chao Sheng

We study diffusive mixing in the presence of thermal fluctuations under the assumption of large Schmidt number. In this regime we obtain a limiting equation that contains a diffusive thermal drift term with diffusion coefficient obeying a…

Statistical Mechanics · Physics 2015-06-18 A. Donev , T. G. Fai , E. Vanden-Eijnden

We show that the concentration profiles in the subdiffusive system with a membrane, which separates a homogeneous solution from a pure solvent at an initial moment, has a general scaling form in the long time limit $C\sim t^\lambda…

Other Condensed Matter · Physics 2007-05-23 Tadeusz Kosztołowicz

Flows enabled by phoretic mechanisms are of significant interest in several biological and biomedical processes, such as bacterial motion and targeted drug delivery. Here, we develop a homogenization-based macroscopic boundary condition…

Using techniques of the theory of semigroups of linear operators we study the question of approximating solutions to equations governing diffusion in thin layers separated by a semi-permeable membrane. We show that as thickness of the…

Analysis of PDEs · Mathematics 2019-08-08 Adam Bobrowski

Graphene membrane irradiated by weak activating periodic electric field in terahertz range is considered. The corrected formula for the graphene quantum conductivity is found. The obtained formula gives complex conjugate results when…

Mesoscale and Nanoscale Physics · Physics 2017-08-23 N. E. Firsova

A method is described for embedding a deformable, elastic, membrane within a lattice Boltzmann fluid. The membrane is represented by a set of massless points which advect with the fluid and which impose forces on the fluid which are derived…

Soft Condensed Matter · Physics 2007-05-23 S V Lishchuk , C M Care

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

The diffusion of small solvent molecules in glassy polymers may take on a variety of different forms. Fickian, anomalous, Case II, and super Case II diffusion have all been observed, and theoretical models exist that describe each specific…

Soft Condensed Matter · Physics 2017-07-27 Jiayuan Miao , Mesfin Tsige , Philip L. Taylor

We study the localisation of lattice polymer models near a permeable interface in two dimensions. Localisation can arise due to an interaction between the polymer and the interface, and can be altered by a preference for the bulk solvent on…

Statistical Mechanics · Physics 2024-07-24 C J Bradly , N R Beaton , A L Owczarek

The present article proposes a diffuse interface model for compressible multicomponent flows with transport phenomena of mass, momentum and energy (i.e., mass diffusion, viscous dissipation and heat conduction). The model is reduced from…

Analysis of PDEs · Mathematics 2022-10-26 Chao Zhang , Lifeng Wang

In this work a Lattice Boltzmann Immersed Boundary method is used for predicting the dynamics of rigid and deformable adhesive micro carriers (1 um) navigating a capillary by the size of 10 um with 20% hematocrit. Red cells and particles…

Soft Condensed Matter · Physics 2020-08-31 Alessandro Coclite

Recent laboratory experiments on solute migration in composite porous columns have shown an asymmetry in the solute arrival time upon reversal of the flow direction, which is not explained by current paradigms of transport. In this work, we…

Statistical Mechanics · Physics 2009-07-20 Andrea Cortis , Andrea Zoia

This paper presents a stochastic analysis of the time-variant channel impulse response (CIR) of a three dimensional diffusive mobile molecular communication (MC) system where the transmitter, the absorbing receiver, and the molecules can…

Information Theory · Computer Science 2019-08-16 Trang Ngoc Cao , Arman Ahmadzadeh , Vahid Jamali , Wayan Wicke , Phee Lep Yeoh , Jamie Evans , Robert Schober

Herein an alternative model to reptation to describe concentrated polymer dynamics is developed. The model assumes that the chains act as blobs that are able to diffuse past each other in a compressed state. Allowing that the local…

Soft Condensed Matter · Physics 2022-02-25 Dave E. Dunstan

Space fractional convection diffusion equation describes physical phenomena where particles or energy (or other physical quantities) are transferred inside a physical system due to two processes: convection and superdiffusion. In this…

Numerical Analysis · Mathematics 2014-05-20 Minghua Chen , Weihua Deng