Related papers: Orientational melting of two-shell carbon nanopart…
Water confined in nanoscale cavities plays a crucial role in everyday phenomena in geology and biology, as well as technological applications at the water-energy nexus. However, even understanding the basic properties of nano-confined water…
The thermal stability and melting behavior of ultrathin titanium nanowires with multi-shell cylindrical structures are studied using molecular dynamic simulation. The melting temperatures of titanium nanowires show remarkable dependence on…
We study heat conduction in (n, 0)/(2n, 0) intramolecular junctions by using molecular dynamics method. It is found that the heat conduction is asymmetric, namely, heat transports preferably in one direction. This phenomenon is also called…
We use molecular dynamics simulations to investigate translational and rotational diffusion in a rigid three-site model of the fragile glass former ortho-terphenyl, at 260 K < T < 346 K and ambient pressure. An Einstein formulation of…
A method is proposed for determining the temperature of hot electrons in a metallic nanoparticle embedded in a dielectric matrix under ultrashort laser pulses irradiation. The amplitude and power of the longitudinal spherical acoustic…
The temperature distributions in current-carrying carbon nanotubes have been measured with a scanning thermal microscope. The obtained temperature profiles reveal diffusive and dissipative electron transport in multi-walled nanotubes and in…
The melting-like transition in sodium clusters Na_N, with N=55, 92, and 142 is studied by using constant-energy molecular dynamics simulations. An orbital-free version of the Car-Parrinello technique is used which scales linearly with…
The ro--vibrational spectra of molecules dissolved in liquid $^4$He nanodroplets display rotational structure. Where resolved, this structure has been used to determine a temperature that has been assumed to equal that of the intrinsic…
A prerequisite for laser cooling a molecular anion, which has not been achieved so far, is the precise knowledge of the relevant transition frequencies in the cooling scheme. To determine these frequencies we present a versatile method that…
Self-assembly of particles with short-range attraction and long-range repulsion (SALR) interactions on a flat and on a spherical surface is compared. Molecular dynamics (MD) simulations are performed for the two systems having the same area…
We examine a single-file chain of ammonia molecules in a carbon nanotube. To this end, we use i) molecular dynamics simulations (combined with the charges for ammonia nitrogen and hydrogen obtained from quantum chemistry) and ii)…
We develop a nonperturbative technique in field theory to study properties of infinite nuclear matter at zero temperature as well as at finite temperatures. Here we dress the nuclear matter with off-mass shell pions. The techniques of…
We present extensive molecular dynamics simulations of a liquid of symmetric dumbbells, for constant packing fraction, as a function of temperature and molecular elongation. For large elongations, translational and rotational degrees of…
The high temperature limit of a system of two D-0 branes is investigated. The partition function can be expressed as a power series in $\beta$ (inverse temperature). The leading term in the high temperature expression of the partition…
The results of large-scale simulations investigating the dynamics of magnetization reversal in arrays of single-domain nanomagnets after a rapid reversal of the applied field at nonzero temperature are presented. The numerical micromagnetic…
Magnetic particle hyperthermia, in which colloidal nanostructures are exposed to an alternating magnetic field, is a promising approach to cancer therapy. Unfortunately, the clinical efficacy of hyperthermia has not yet been optimized.…
We simulate the twist of carbon nanotubes using atomic molecular dynamic simulations. The ultimate twist angle per unit length and the deformation energy are calculated for nanotubes of different geometries. It is found that the big tube is…
The ion-molecule reactions $\text{D}_2^++\text{NH}_3$ and $\text{D}_2^++\text{ND}_3$ are studied at low collision energies ($E_{\text{coll}}$ from zero to $\sim k_\textrm{B}\cdot 50\,\text{K}$), with the $\text{D}_2^+$ ions in the ground…
The effect of orientation on near-field radiative heat transfer between two complex-shaped superellipsoid particles of SiO2 is presented. The particles under study are 50 nm in radius and of variable concavity. Orientation is characterized…
Levitated nanoparticles are a promising platform for sensing applications and for macroscopic quantum experiments. While the nanoparticles' motional temperatures can be reduced to near absolute zero, their uncontrolled internal degrees of…