Related papers: Molecular Dynamics Simulations Study on Ultrathin …
Molecular dynamic simulations are used to study the heating of a gold nanorod of 2624 atoms. We show that roughening of surface {110} facets leads to a shape transformation and structural rearrangement of surface and bulk atoms in the rod,…
This review focuses on the investigation and enhancement of the thermoelectric properties of semiconducting nanowires (NWs). NWs are nanostructures with typical diameters between few to hundreds of nm and length of few to several microns,…
We have developed a method to simulate behavior of nanoporous materials in a molecular dynamics code. The nanoporous solid is produced via a spinodal decomposition of a material brought from a supercritical fluid into the two phase…
We simulate structure in the vicinity of different size nanovoids using a new variant of the Molecular Statics, wherein atomic structure in the vicinity of nanovoids and the parameters that define the displacements of atoms placed in…
We perform molecular dynamics simulations to understand the translational and rotational diffusion of Janus nanoparticles at the interface between two immiscible fluids. Considering spherical particles with different affinity to fluid…
Superconducting properties of metallic nanowires can be entirely different from those of bulk superconductors because of the dominating role played by thermal and quantum fluctuations of the order parameter. For superconducting wires with…
We investigate the electronic, structural and topological properties of the SnTe and PbTe cubic nanowires using ab-initio calculations. Using standard and linear-scale density functional theory, we go from the ultrathin limit up to the…
It is now well established that materials are stronger when their dimensions are reduced to submicron scale. However, what happens at dimensions such as a few tens of nanometers or lower remains largely unknown, with conflicting reports on…
Although real surfaces exhibit intricate topologies at the nanoscale, rough surface consideration is often overlooked in nanoscale heat transfer studies. Superimposed sinusoidal functions effectively model the complexity of these surfaces.…
Nanowires are formed by indenting and subsequently retracting two pieces of sodium metal. Their cross-section gradually reduces upon retraction and the diameters can be obtained from the conductance. In previous work we have demonstrated…
Dynamical structural defects exist naturally in a wide variety of solids. They fluctuate temporally, and hence can deteriorate the performance of many electronic devices. Thus far, the entities of such dynamic objects have been identified…
We examine, using molecular dynamics simulation, the structure and thermodynamics of the (100) and (111) disordered face-centered cubic (FCC) crystal/melt interfaces for a binary hard-sphere system. This study is an extension of our…
The energetics of transition and noble metal (Rh, Pd, Cu) vicinal surfaces, i.e., surface energy, step energy, kink energy and electronic interactions between steps, is studied at 0K from electronic structure calculations in the…
Magnetoresistance oscillations were observed on networks of superconducting ultrathin Nb nanowires presenting evidences of either thermal or quantum activated phase slips. The magnetic transport data, discussed in the framework of different…
Spray deposition and inkjet printing of various nanostructures are emerging complementary methods for creating conductive coatings on different substrates. In comparison to established deposition techniques like vacuum metal coating and…
Liquid-metal infiltrated Cu30Mo70 (weigth percentage) is subjected to severe plastic deformation using high pressure torsion. The initially equiaxed dual phase structure is gradually transformed into a lamellar structure composed of…
A statistical analysis of the breaking behavior of Ni nanowires is presented. Using molecular dynamic simulations, we have determined the time evolution of both the nanowire atomic structure and its minimum cross section (Sm(t)).…
We present the first study of superconducting nanowires shunted with an external resistor, geared towards understanding and controlling coherence and dissipation in nanowires. The dynamics is probed by measuring the evolution of the V-I…
Effects of ballistic transport on the temperature profiles and thermal resistance in nanowires are studied. Computer simulations of nanowires between a heat source and a heat sink have shown that in the middle of such wires the temperature…
Carrier dynamics in metallic nanostructures is strongly influenced by their confining dimensions. Gold nanoparticles of size $\sim 2$ nm lie at the boundary separating metallic and non-metallic behavior. In this work, we report carrier…