Related papers: Molecular Dynamics Simulations Study on Ultrathin …
Integration of magneto-electric and spintronic sensors presents a massive potential for advancing flexible and wearable technology. Magnetic nanowires are core components for building such devices, and therefore it important to realize…
The use of CO2 as a natural refrigerant in data center cooling, oil recovery and in CO2 capture and storage which is gaining traction in recent years involves heat transfer between CO2 and the base fluid. A need arises to improve the…
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…
Nuclear quadrupole resonance (NQR) on copper nuclei has been applied for studies of the electronic properties of quasi-two-dimensional low-temperature superconductor CuS (covellite) in the temperature region between 1.47 and 290 K. Two NQR…
Understanding the role of confinement while crystallizing nanocrystals is very relevant for predicting their structure and physical properties. With this aim we perform Langevin dynamics simulations of nanocrystals of the model system of…
The high-temperature properties of the Al(111) surface are studied by molecular-dynamics simulation. This surface does not melt below the bulk melting point, but can be superheated. Superheating of metal surfaces has been recently observed…
Silicon nanowires grown along the <100>-direction with a bulk Si core are studied with density functional calculations. Two surface reconstructions prevail after exploration of a large fraction of the phase space of nanowire…
In this paper, the thermal and structural properties of Cu-Au (Copper-Gold) Janus nanoparticles with a diameter of 5 nm are investigated by using molecular dynamics (MD) simulations within the interactions defined by the many-body embedded…
We discuss molecular cloud formation by large-scale supersonic compressions in the diffuse warm neutral medium (WNM). Initially, a shocked layer forms, and within it, a thin cold layer. An analytical model and high-resolution 1D simulations…
In many cases, the stability of complex structures in colloidal systems is enhanced by a competition between different length scales. Inspired by recent experiments on nanoparticles coated with polymers, we use Monte Carlo simulations to…
Amorphous Co-rich microwires with excellent soft magnetic and mechanical properties produced by melt-extraction technique are emerging as a multifunctional material for a variety of applications ranging from ultrasensitive magnetic field…
Ultracold neutrons (UCN), stored in a cell with hard walls that is attached to, and therefore rotating with, the Earth, will experience non-inertial frame effects, resulting in a broadening of the UCN spectrum. A heating or cooling of the…
This study investigates the torsional mechanical properties of pristine iron (Fe) and carbon-doped iron (FeC) nanowires with [001] orientation through molecular dynamics simulations utilizing the Modified Embedded Atom Method (MEAM)…
Progressive reduction of the effective diameter of a nanowire is applied to trace evolution of the shape of superconducting transition $R(T)$ in quasi-one-dimensional aluminum structures. In nanowires with effective diameter $\leq$ 15 nm…
Recent research on silver nanowires prepared on DNA templates has focused on two fundamental applications: nano-scale circuits and sensors. Despite its broad potential, the formation kinetics of DNA-templated silver nanowires remains…
We have investigated different geometries of two dimensional (2D) infinite length Ni nanowires of increasing width using spin density functional theory calculations. Our simulations demonstrate that the parallelogram motif is the most…
We present a Monte Carlo study of the magnetic properties of thin cylindrical nanowires composed of a ferromagnetic core and an antiferromagnetic shell implementing a classical spin Hamiltonian. We address systematically the impact of…
Transmission electron microscopy experiments have recently observed gold metal nanocylinders to thin down in a discrete manner: A kink--a step of order of one atomic layer--nucleates at one end and then moves along the wire, leaving a…
The mechanical properties of the so-called `super' carbon nanotubes (STs) are investigated using classical molecular dynamics simulations. The STs are built from single walled carbon nanotubes (SWCNTs) connected by Y-like junctions forming…
The results of fabrication and characterization of atomic structure of nanocrystalline thin layers of Y2O3 in cubic and monoclinic phases is reported. Experimental data demonstrate crystalline ordering in nanocrystalline films with average…