Related papers: Simulational nanoengineering: Molecular dynamics i…
Colloidal heat engines are paradigmatic models to understand the conversion of heat into work in a noisy environment - a domain where biological and synthetic nano/micro machines function. While the operation of these engines across thermal…
The study of free piston Stirling engine (FPSE) requires both accurate thermodynamic and dynamic modelling to predict its performances. The steady state behaviour of the engine partly relies on non linear dissipative phenomena such as…
The purpose of this work is to present the concept of an autonomous Stirling-like engine powered by anisotropy of thermodynamic fluctuations. Specifically, simultaneous contact of a thermodynamic system with two heat baths along coupled…
A colloidal particle confined in a time-dependent optical trap can function as a microscopic heat engine, with optimization strategies playing a crucial role in enhancing its performance. In this study, we numerically investigate a Stirling…
A Stirling engine of the type used for demonstration purposes has been outfitted with a pair of sensors that measure pressure and piston displacement when the engine is operating with a small temperature difference between the hot and cold…
There are two paradigms to study nanoscale engines in stochastic and quantum thermodynamics. Autonomous models, which do not rely on any external time-dependence, and models that make use of time-dependent control fields, often combined…
In this contribution, we investigate two coupled spins as a working substance of the quantum Stirling heat engine cycle. We propose an experimentally implementable scheme in which the cycle is driven by tuning the dipole-dipole interaction…
Ultra-precision machining of metals, the breaking of nanowires under tensile stress and fracture of nanoscale materials are examples of technologically important processes which are both extremely difficult and costly to investigate…
A numerical model is built, simulating the principles of kinetic gas theory, to predict pressures of molecules in a spherical pressure vessel; the model tracks a single particle and multiplies the force on the spherical walls by a mole of…
We investigate a model for a Stirling-like engine consisting of a passive Brownian particle confined by a harmonic potential and interacting with a suspension of active Brownian particles that self-propel in a viscous solvent, which…
In a quantum Stirling heat engine, the heat exchanged with two thermal baths is partly utilized for performing work by redistributing the energy levels of the working substance. We analyze the thermodynamics of a quantum Stirling engine…
The dynamic behavior of a partially wetting polymer droplet driven over a nanostructured interface is studied using molecular dynamics simulations. We consider the bead-spring model to represent a polymeric liquid that partially wets a…
The autonomous heat engine is a model system of autonomous nonequilibrium systems like biological cells, exploiting nonequilibrium flow for operations. As the Carnot engine has essentially contributed to the equilibrium thermodynamics,…
This paper presents a molecular mechanics study for new nanorobotic structures using molecular dynamics (MD) simulations coupled to virtual reality (VR) techniques. The operator can design and characterize through molecular dynamics…
Computational chemistry allows researchers to experiment in sillico: by running a computer simulations of a biological or chemical processes of interest. Molecular dynamics with molecular mechanics model of interactions simulates N-body…
Molecular Dynamics simulations are becoming a powerful tool for examining and predicting atomic and molecular processes in various environment. The present review shows how, in the fields of plasma physics, chemistry and interactions with…
Self-propelled chemically powered synthetic micron and nano-scale motors are being intensively studied because of the wide range of potential applications that exploit their directed motion. This paper considers even smaller…
The self-propelled motion of microscopic bodies immersed in a fluid medium is studied using molecular dynamics simulation. The advantage of the atomistic approach is that the detailed level of description allows complete freedom in…
Atomistic modelling of magnetic materials provides unprecedented detail about the underlying physical processes that govern their macroscopic properties, and allows the simulation of complex effects such as surface anisotropy, ultrafast…
We use molecular dynamics simulations to study the evaporation of particle-laden droplets on a heated surface. The droplets are composed of a Lennard-Jones fluid containing rigid particles which are spherical sections of an atomic lattice,…