Related papers: Thermal rectification optimization in nanoporous S…
Innovative ways of harnessing sustainable energy are needed to meet the world's ever-increasing energy demands. Supercapacitors may contribute, as they can convert waste heat to electricity through cyclic charging and discharging at…
Using Monte Carlo simulations, we study the assembly of colloidal particles interacting via isotropic core-corona potentials in two dimensions and confined in a circular box. We explore the structural variety at low temperatures as function…
We propose a Monte Carlo algorithm designed to simulate quantum as well as classical systems at equilibrium, bridging the algorithmic gap between quantum and classical thermal simulation algorithms. The method is based on a novel…
A new Monte Carlo algorithm is introduced for the simulation of supercooled liquids and glass formers, and tested in two model glasses. The algorithm is shown to thermalize well below the Mode Coupling temperature and to outperform other…
Polymer-coated pores play a crucial role in nucleo-cytoplasmic transport and in a number of biomimetic and nanotechnological applications. Here we present Monte Carlo and Density Functional Theory approaches to identify different collective…
Amorphous metallic foams are prospective materials due to unique combination of their mechanical and energy-absorption properties. In the present work, atomistic dynamics simulations are performed under isobaric conditions with the pressure…
Thermoelectric material provides a high hope for converting harmful and useless heat into useful energy, electricity. It can also be used as solid state Peltier coolers in integrated circuits, an outstanding challenge for electronic…
In this work we study the asymmetric heat flow, i.e., thermal rectification, of a one-dimensional, mass-graded system consisting of acoupled harmonic oscillator lattice (ballistic spacer) and two diffusive leads attached to the boundaries…
We propose a back-reflecting scheme in order to enhance the maximum achievable current in one micron thick crystalline silicon solar cells. We perform 3-dimensional numerical investigations of the scattering properties of metallic…
We present a scaling behavior of a rectifying bipolar nanopore as a function of the parameter $\xi=R_{\mathrm{P}}/(\lambda z_{\mathrm{if}})$, where $R_{\mathrm{P}}$ is the radius of the pore, $\lambda$ is the characteristic screening length…
We use hexagonal mesophases made of oil-swollen surfactant-stabilized tubes arranged on a triangular lattice in water and doped with metallic salts as templates for the radiolytic synthesis of nanostructures. The nanostructures formed in…
We present a model for simulating performance of 3D nano -coaxial and -hemispherical thin film solar cells. The material system considered in these simulations is hydrogenated amorphous silicon (a-Si:H), with solar cells fabricated in an…
Impregnation of Phase Change Materials (PCMs) into a porous medium is a promising way to stabilize their shape and improve thermal conductivity which are essential for thermal energy storage and thermal management of small-size…
The effect of silica nanoparticles on transient microemulsion networks made of microemulsion droplets and telechelic copolymer molecules in water is studied, as a function of droplet size and concentration, amount of copolymer, and…
The surface area of Bi2Te3 thin films was increased by introducing nanoscale porosity. Temperature dependent resistivity and magnetotransport measurements were conducted both on as-grown and porous samples (23 and 70 nm). The longitudinal…
Metamaterials with tunable optical properties provide a versatile platform for controlling electromagnetic interactions at the nanoscale. This study explores the anisotropic thermal behavior of metamaterials composed of planar plates…
Digital modeling of the microstructure is important for studying the physical and transport properties of porous media. Multiscale modeling for porous media can accurately characterize macro-pores and micro-pores in a large-FoV (field of…
A statistical method is derived for the calculation of thermodynamic properties of many-body systems at low temperatures. This method is based on the self-healing diffusion Monte Carlo method for complex functions [F. A. Reboredo J. Chem.…
With molecular dynamics simulations, we demonstrate very obvious thermal rectification in large temperature range from 200 to 400 K in nanocone. We also observe that the rectification of nanocone does not depend on the length very…
Micromagnetic simulation results on dynamic hysteresis loops of clusters of iron oxide nanoparticles (NPs) with internal structure composed of nanorods are compared with the widely used macrospin approximation. Such calculations allowing…