Related papers: Simulational nanoengineering: Molecular dynamics i…
We develop an alternative thermodynamic cycle for the Stirling machine, where the polytropic process plays a central role. Analytical expressions for pressure and temperatures of the working gas are obtained as a function of the volume and…
We present a simple kinematic model of a non-equilibrium steady state device, which can operate either as a heat engine or as a refrigerator. The model is composed of two or more scattering channels where the motion is fully described by…
The miniaturization of gears towards the nanoscale is a formidable task posing a variety of challenges to current fabrication technologies. In context, the understanding, via computer simulations, of the mechanisms mediating the transfer of…
A current-carrying resonant nanoscale device, simulated by non-adiabatic molecular dynamics, exhibits sharp activation of non-conservative current-induced forces with bias. The result, above the critical bias, is generalized rotational…
Quantum simulators are controllable systems that can be used to simulate other quantum systems. Here we focus on the dynamics of a chain of molecular qubits with interposed antiferromagnetic dimers. We theoretically show that its dynamics…
Modelling the sudden depressurisation of superheated liquids through nozzles is a challenge because the pressure drop causes rapid flash boiling of the liquid. The resulting jet usually demonstrates a wide range of structures, including…
The main physical features and operating principles of isothermal nanomachines in microworld are reviewed, which are common for both classical and quantum machines. Especial attention is paid to the dual and constructive role of dissipation…
Thermally driven nanotube nanomotors provide linear mass transportation controlled by a temperature gradient. However, the underlying mechanism is still unclear where the mass transportation velocity in experiment is much lower than that…
Molecular dynamics simulations are used to model the thermal properties of a fluid containing solid nanoparticles (nanofluid). The flexibility of molecular simulation allows us to consider the effects of particle mass, particle-particle and…
Heat engines transform thermal energy into useful work, operating in a cyclic manner. For centuries, they have played a key role in industrial and technological development. Historically, only gases and liquids have been used as working…
We introduce a new approach to build microscopic engines on the atomic scale that move translationally or rotationally and can perform useful functions such as pulling of a cargo. Characteristic of these engines is the possibility to…
The interaction of mass-selected atomic clusters and nanoparticles with surfaces attracts strong interest in view of fundamental research and technological applications. Understanding dynamics of the deposition process is important for…
Fluid phase equilibria involving nano-dispersed phases, where at least one of the coexisting phases is confined to a small volume, are investigated by molecular dynamics simulation. Complementing previous studies on nanoscopic droplets,…
We use molecular dynamics simulations to investigate the displacement of a simple butterfly-like molecular motor inside nanopores of various radii filled with a viscous medium. The medium is modeled with a versatile potential that may be…
This article presents a comparative analysis of quantum Otto and Stirling engines using atom-photon interactions as the working substance. Two models are considered: a two-level Jaynes-Cummings system and a four-level atomic system confined…
This paper reviews the status of molecular dynamics as a method in describing solid-solid phase transitions, and its relationship to continuum approaches. Simulation work done in NiTi and Zr using first principles and semi-empirical…
The quantum engine cycle serves as an analogous representation of the macroscopic nature of heat engines and the quantum regime of thermal devices composed of a single element. In this work, we follow the formalism of a quantum engine…
Physics students now have access to interactive molecular dynamics simulations that can model and animate the motions of hundreds of particles, such as noble gas atoms, that attract each other weakly at short distances but repel strongly…
This study provides a systematic description and results of a dynamical simulation model of a rotary kiln for clinker, based on first engineering principles. The model is built upon thermophysical, chemical, and transportation models for…
Understanding molecular structure, dynamics, and reactivity requires bridging processes that occur across widely separated time scales. Conventional molecular dynamics simulations provide atomistic resolution, but their femtosecond time…