相关论文: Particle In Cell Simulation of Combustion Synthesi…

The control of the thermocapillary assembly of colloidal particle clusters is important for a variety of applications, including the creation of photonic crystals for microelectronics and optoelectronics, membrane formation for…

We demonstrate the measurement and manipulation of the temperature of cold CO molecules in a microchip environment. Through the use of time-resolved spatial imaging, we are able to observe the phase-space distribution of the molecules, and…

The structural and dynamic properties of silica melts under high pressure are studied using molecular dynamics (MD) computer simulation. The interactions between the ions are modeled by a pairwise-additive potential, the so-called CHIK…

Thermally activated processes are key to understanding the dynamics of physical systems. Thermal diffusion of (quasi-)particles for instance not only yields information on transport and dissipation processes but is also an exponentially…

We study the rotational and vibrational heating of diatomic molecules placed near a surface at finite temperature on the basis of macroscopic quantum electrodynamics. The internal molecular evolution is governed by transition rates that…

Linear thermal expansion coefficient (TEC) and specific heat of Ti bulk is investigated by means of molecular dynamics simulation. Elastic Minimum Image Convention of periodic boundary conditions is introduced to allow the bulk to adjust…

We investigate aggregation mechanism of two proteins in a thermodynamically unambiguous manner by considering the finite size effect of free energy landscape of HP lattice protein model. Multi-Self-Overlap-Ensemble Monte Carlo method is…

Using molecular dynamics simulations and integral equations (Rogers-Young, Percus-Yevick and hypernetted chain closures) we investigate the thermodynamic of particles interacting with continuous core-softened intermolecular potential.…

We investigate the finite-temperature phase diagram of polar molecules confined in a quasi-two-dimensional geometry by a harmonic potential along the polarization axis. We employ Quantum Monte Carlo simulations to explore the strongly…

In this letter, we report results on the effect of temperature variations on a granular assembly through Molecular Dynamic simulations of a 2D granular column. Periodic dilation of the grains are shown to perfectly mimic such thermal…

Thermal radiation is an abundant form of incoherent light. Generating coherent infrared light through incandescence promises a cheap alternative to the costly and epitaxially complex quantum cascade laser, however it remains a fundamental…

Molecular dynamics simulation is used to model the self-assembly of polyhedral shells containing 180 trapezoidal particles that correspond to the T=3 virus capsid. Three kinds of particle, differing only slightly in shape, are used to…

At low temperatures ultrasoft particle systems develop interesting phases via the self-assembly of particle clusters. In this study we develop a general zero-temperature analysis fully characterizing the ground state of such models in two…

The paper provides a tutorial to the conceptual layout of a self-consistently coupled Particle-In-Cell/Test-Particle model for the kinetic simulation of sputtering transport in capacitively coupled plasmas at low gas pressures. It explains…

Temperature is a fundamental parameter in the study of physical phenomena. At the nanoscale, local temperature differences can be harnessed to design novel thermal nanoelectronic devices or test quantum thermodynamical concepts. Determining…

Using the isothermal molecular dynamics (MD), coalescence/sintering of Au nanoparticles (NPs) was simulated by employing the Nose-Hoover thermostat. The MD simulation was realized by using the well-known open program LAMMPS, its version for…

The Energy Conserving semi-implicit method (ECsim), presented by Lapenta in 2017, is a Particle in Cell (PIC) algorithm for the simulation of plasmas. Energy conservation is achieved within a semi-implicit formulation that does not require…

We use molecular dynamics computer simulations to investigate a critical temperature T_c for a dynamical glass transition as proposed by the mode-coupling theory (MCT) of dense liquids in a glass forming Ni_{0.8}Zr_{0.2}-system. The…

We study heat transfer from a heated nanoparticle into surrounding fluid, using molecular dynamics simulations. We show that the fluid next to the nanoparticle can be heated well above its boiling point without a phase change. Under…

We present a series of 2-d ($r,\phi$) hydrodynamic simulations of marginally self gravitating disks around protostars using an SPH code. We implement simple dynamical heating and we cool each location as a black body, using a photosphere…