Related papers: A cellular automaton model for thermal transport i…
Recent results on theoretical studies of heat conduction in low-dimensional systems are presented. These studies are on simple, yet nontrivial, models. Most of these are classical systems, but some quantum-mechanical work is also reported.…
We propose Neural Cellular Automata (NCA) to simulate the microstructure development during the solidification process in metals. Based on convolutional neural networks, NCA can learn essential solidification features, such as preferred…
Thermal conductivity of hadron matter is studied using a microscopic transport model, which will be used to simulate ultra-relativistic heavy ion collisions at different energy densities, namely the Ultra-relativistic Quantum Molecular…
We show how to construct a deterministic nearest-neighbour cellular automaton (CA) with four states which emulates diffusion on a one-dimensional lattice. The pseudo-random numbers needed for directing random walkers in the diffusion…
We introduce a new class of cellular automata to model reaction-diffusion systems in a quantitatively correct way. The construction of the CA from the reaction-diffusion equation relies on a moving average procedure to implement diffusion,…
Atomistic simulations of heat transport in complex materials are costly and hard to converge. This has led to the development of several noise-reduction techniques applicable to equilibrium molecular-dynamics (MD) simulations. We analyze…
Tensile tests at room temperature are performed using molecular dynamics on all configurations of single-walled carbon nanotubes up to 4 nm in diameter. Distributions of the Young's modulus, Poisson's ratio, ultimate tensile strength and…
Regulation of cell proliferation is a crucial aspect of tissue development and homeostasis and plays a major role in morphogenesis, wound healing, and tumor invasion. A phenomenon of such regulation is contact inhibition, which describes…
Many low-dimensional materials are well described by integrable one-dimensional models such as the Hubbard model of electrons or the Heisenberg model of spins. However, the small perturbations to these models required to describe real…
We present applications of a cellular automaton approach to pedestrian dynamics introduced in [1,2]. It is shown that the model is able to reproduce collective effects and self-organization phenomena encountered in pedestrian traffic, e.g.…
Two-dimensional (2D) materials like graphene and h-BN usually show high thermal conductivity, which enables rich applications in thermal dissipation and nanodevices. Disorder, on the other hand, is often present in 2D materials. Structural…
Using molecular dynamics(MD) simulations, we study thermal transport in graphene nanoribbons (GNR) subjected to uniform uniaxial and nonuniform strain fields. We predict significant thermal rectification (over 70%) in a rectangular armchair…
Over the last two decades a plethora of new thermoelectric materials, their alloys, and their nanostructures were synthesized. The ZT figure of merit, which quantifies the thermoelectric efficiency of these materials increased from values…
The wave-like nature of electrons leads to the existence of upper bounds on the thermoelectric response of nanostructured devices [R. S. Whitney, Phys. Rev. Lett. 112, 130601 (2014); Phys. Rev. B 91, 115425 (2015)]. This fundamental result,…
Understanding ballistic phonon transport effects in transient thermoreflectance experiments and explaining the observed deviations from classical theory remains a challenge. Diffusion equations are simple and computationally efficient but…
Although traffic simulations with cellular-automata models give meaningful results compared with empirical data, highway traffic requires a more detailed description of the elementary dynamics. Based on recent empirical results we present a…
We present an empirical model for the nearballistic transport in carbon nanotube (CNT) transistors used as strain sensors. This model describes the intrinsic effect of strain on the transport in CNTs by taking into account phonon scattering…
For multilayer structures, interfacial failure is one of the most important elements related to device reliability. For cohesive zone modelling, traction-separation relations represent the adhesive interactions across interfaces. However,…
A complex approach phonon quantum discrete model (PQDM) was developed to describe dynamics, kinetics and statistics of phonons in carbon nanostructures with zero-chirality of both zig-zag and armchair geometry. The model allows include into…
We perform molecular dynamics (MD) simulations with phonon spectral analysis aiming at understanding the two dimensional (2D) thermal transport in suspended and supported graphene. Within the framework of equilibrium MD simulations, we…