相关论文: Molecular-dynamics study of diffusional creep in u…
Acquiring quantitative information on charge transfer (CT) dynamics at the nanoscale remains an important scientific challenge. In particular, CT processes in single molecules at surfaces needs to be investigated to be properly controlled…
Step meandering during growth of gallium nitride (0001) surface is studied using kinetic Monte Carlo method. Simulated growth process, conducted in N-rich conditions are therefore controlled by Ga atoms surface diffusion. The model employs…
The current research establishes magnetohydrodynamics (MHD) boundary layer flow with heat and mass transfer of a nanofluid over an exponentially extending sheet embedded in a porous medium. During this exploration, nanoparticles,…
Boron nitride (BN) is a material with outstanding technological promise because of its exceptional thermochemical stability, structural, electronic and thermal conductivity properties, and extreme hardness. Yet, the relative thermodynamic…
Diffusion involving atom transport from one location to another governs many important processes and behaviors such as precipitation and phase nucleation. Local chemical complexity in compositionally complex alloys poses challenges for…
Neutron diffusion length in reactor grade graphite is measured both experimentally and theoretically. The experimental work includes Monte Carlo (MC) coding using 'MCNP' and Finite Element Analysis (FEA) coding suing 'COMSOL Multiphysics'…
Dynamic Hubbard models describe the fact that the wavefunction of an electron in an atomic orbital expands when a second electron occupies the orbital. These models give rise to superconductivity driven by lowering of kinetic energy when…
Particle beds are widely used in various systems and processes, such as particle heat exchangers, granular flow reactors, and additive manufacturing. Accurate modeling of thermal conductivity of particle beds and understanding of their heat…
In this study, we report the mechanical properties and fracture mechanism of pre-cracked and defected InSe nanosheet samples using molecular dynamics (MD) simulations. We noticed that the failure of pre-cracked and defected InSe nanosheet…
The distributions of deuterated molecules in protoplanetary disks are expected to depend on the molecular formation pathways. We use observations of spatially resolved DCN emission from the disk around TW Hya, acquired during ALMA Science…
The full elasticity tensor for nano-crystalline copper is derived in molecular simulations by performing numerical tests for a set of generated samples of the polycrystalline material. The results are analysed with respect to the anisotropy…
The operation of a nuclear power station powering Deep Space transport is presented in the paper. The power station consists of a Gas Core Reactor (GCR) with magnetohydrodynamic (MHD) generator. A new model of gas core reactor which has…
High levels of deuterium fractionation of $\rm N_2H^+$ (i.e., $\rm D_{frac}^{N_2H^+} \gtrsim 0.1$) are often observed in pre-stellar cores (PSCs) and detection of $\rm N_2D^+$ is a promising method to identify elusive massive PSCs. However,…
In this work, we have explored the Metallic-Flux Nanonucleation method to synthesize single crystals and nanowires (diameter $\approx$ 170 nm) of CeIn$_{3}$ and compare their properties. The effects of reduced dimensionality were…
We introduce a model for zwitterionic monolayers and investigate its tribological response to changes in applied load, sliding velocity, and temperature by means of molecular-dynamics simulations. The proposed model exhibits different…
We present a global three-dimensional radiation magnetohydrodynamic (RMHD) simulation of a circumbinary disk (CBD) around a massive black hole binary (MBHB) with a total mass $2 \times 10^7\,M_{\odot}$ and mass ratio $0.1$, separated by…
The relaxors Pb(Zn$_{1/3}$Nb$_{2/3}$)O$_{3}$ (PZN) and Pb(Mg$_{1/3}$Nb$_{2/3}$)O$_{3}$ (PMN) have very similar properties based on the dielectric response around the critical temperature $T_{c}$ (defined by the structural transition under…
The heavy-ion fusion reactions induced by neutron-rich nuclei are investigated with the improved quantum molecular dynamics (ImQMD) model. With a subtle consideration of the neutron skin thickness of nuclei and the symmetry potential, the…
The first order phase transition of a water cluster confined in a dynamic single-walled carbon nanotube is investigated using a classical molecular dynamics (MD) method. The formation of ice-nanotube is monitored through the structure…
The variable range hopping results for noninteracting electrons of Mott and Shklovskii are generalized to 1D disordered charge density waves and Luttinger liquids using an instanton approach. Following a recent paper by Nattermann,…