Related papers: A cellular automaton model for thermal transport i…
We describe the electro-thermal transport in metallic carbon nanotubes (m-CNTs) by a semi-classical approach that takes into account the high-field dynamical interdependence between charge carrier and phonon populations. Our model is based…
This paper studies the number conservation property of 1-dimensional non-uniform cellular automata (CAs). In a non-uniform cellular automaton (CA), different cells may follow different rules. The present work considers that the cells follow…
This contribution belongs to a combinatorial approach to hyperbolic geometry and it is aimed at possible applications to computer simulations. It is based on the splitting method which was introduced by the author and which is reminded in…
We propose a bridge between the theory of exactly solvable models and the investigation of traffic flow. By choosing the activities in an apropriate way the dimer configurations of the Kasteleyn model on a hexagonal lattice can be…
We present BTE-Barna (Boltzmann Transport Equation - Beyond the Rta for NAnosystems), a software package that extends the Monte Carlo (MC) module of the almaBTE solver of the Peierls-Boltzmann transport equation for phonons (PBTE) to work…
Viral kinetics have been extensively studied in the past through the use of spatially homogeneous ordinary differential equations describing the time evolution of the diseased state. However, spatial characteristics such as localized…
We present a new method for predicting effective thermal conductivity ($\kappa_{\textrm{eff}}$) in materials, informed by ${ab\,initio}$ material property simulations. Using the Boltzmann transport equation in a Self-Adjoint Angular Flux…
Neural cellular automata (Neural CA) are a recent framework used to model biological phenomena emerging from multicellular organisms. In these systems, artificial neural networks are used as update rules for cellular automata. Neural CA are…
Cellular automata (CA) are a class of computational models that exhibit rich dynamics emerging from the local interaction of cells arranged in a regular lattice. In this work we focus on a generalised version of typical CA, called graph…
Thermal transport in complex solids is governed by local structure, defects, and anisotropy, yet most continuum models still rely on oversimplified, homogenized conductivities. Here, we bridge atomistic and continuum descriptions by…
We employ classical molecular dynamics to study the nonlinear thermal transport in graphene nanoribbons (GNRs). For GNRs under large temperature biases beyond linear response regime, we have observed the onset of negative differential…
Materials that possess low density, low thermal conductivity, and high stiffness are desirable for engineering applications, but most materials cannot realize these properties simultaneously due to the coupling between them. Nanotrusses,…
Heat transport in bulk materials is well described using the Debye theory of 3D vibrational modes (phonons) and the acoustic match model. However, in cryogenic nanodevices, phonon wavelengths exceed device dimensions, leading to confinement…
We present a review of the phonon thermal conductivity of segmented nanowires focusing on theoretical results for Si and Si/Ge structures with the constant and periodically modulated cross-sections. We describe the use of the face-centered…
We present a comprehensive computational study of the electronic, thermal, and thermoelectric (TE) properties of gallium nitride nanowires (NWs) over a wide range of thicknesses (3--9 nm), doping densities ($10^{18}$--$10^{20}$ cm$^{-3}$),…
A quantum cellular automaton (QCA) is an abstract model consisting of an array of finite-dimensional quantum systems that evolves in discrete time by local unitary operations. Here we propose a simple coarse-graining map, where the spatial…
Controlling heat flow at the nanoscales is pivotal to several applications, including thermal energy harvesting and heat management. However, engineering nanostructures is challenging because phonon-boundary interaction, not contemplated by…
Non-diffusive thermal transport has gained extensive research interest recently due to its important implications on fundamental understanding of material phonon mean free path distributions and many nanoscale energy applications. In this…
Approach-to-equilibrium molecular dynamics simulations have been used to study thermal transport in nanocrystalline graphene sheets. Nanostructured graphene has been created using an iterative process for grain growth from initial seeds…
Nature of energy transport around a critical point is studied in the Creutz cellular automaton. Fourier heat law is confirmed to hold in this model by a direct measurement of heat flow under a temperature gradient. The thermal conductivity…