Related papers: Mechanical Properties of Au Coated Si Nanowafer: a…
In-depth understanding of the retarded oxidation phenomenon observed during the oxidation of silicon nanostructures is proposed. The wet thermal oxidation of various silicon nanostructures such as nanobeams, concave/convex nanorings and…
We present a computational study for the equilibrium shape of gold nanoparticles. By linking extensive quantum-mechanical calculations, based on Density-Functional Theory (DFT) to Wulff construction, we predict equilibrium shapes that are…
The room-temperature longitudinal piezoresistance of n-type and p-type crystalline silicon along selected crystal axes is investigated under uniaxial compressive stresses up to 3 GPa. While the conductance ($G$) of n-type silicon eventually…
We studied solid solution effects on the mechanical properties of nanocrystalline (NC) $\mathrm{Pd}_{\mathrm{100-x}} \mathrm{Au}_{\mathrm{x}}$ alloys ($0 \leq \mathrm{x} < 50 \mathrm{at.\%}$) at the low end of the nanoscale. Concentration…
Study on mechanical properties of one-dimensional layered titanate nanomaterials is crucial since they demonstrate important applications in various fields. Here, we conducted ex situ and in situ atomic-scale investigation on bending…
The orientational and translational order of a thermotropic ferroelectric liquid crystal (2MBOCBC) imbibed in self-organized, parallel, cylindrical pores with radii of 10, 15, or 20 nm in anodic aluminium oxide monoliths (AAO) are explored…
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)…
The structural evolution of laser-excited systems of gold has previously been measured through ultrafast MeV electron diffraction. However, there has been a long-standing inability of atomistic simulations to provide a consistent picture of…
A comparison of porous structures formed from silicon (Si) wafers with different resistivities has been reported here based on the morphological studies carried out using scanning electron microscope (SEM). The porous Si samples have been…
Density functional theory and density functional tight-binding are applied to model electron transport in copper nanowires of approximately 1 nm and 3 nm diameters with varying crystal orientation and surface termination. The copper…
Monocrystalline silicon solar cells with photo-absorbing morphology can amplify light-trapping properties within the absorber layer and help to fabricate cost-effective solar cells. In this paper, the effect of different parameters namely…
The ability of metallic nanoparticles to supply heat to a liquid environment under exposure to an external optical field has attracted growing interest for biomedical applications. Controlling the thermal transport properties at a…
Molecular dynamics calculations revealed that the temperature of operation and the applied tensile force (f) determine not only the kinetics but also the mode and duration of Au nanowire breaking. In the tensile force range of 0.018 and 0.1…
Transition metal impurities such as nickel, copper, and iron, in solid-state materials like silicon have a significant impact on the electrical performance of integrated circuits and solar cells. To study the impact of copper impurities…
Reverse non-equilibrium molecular dynamics (RNEMD) simulations were used to study heat transport in solvated gold interfaces which have been functionalized with a low molecular weight thiolated polyethylene glycol (PEG). The gold interfaces…
Fracture material is seriously problem in daily life, and it has connection with mechanical properties itself. The mechanical properties is belief depend on dislocation movement and crack propagation in the crystal. Information about this…
Nanocrystalline bulk materials are desirable for many applications as they combine mechanical strength and specific electronic transport properties. Our bottom up approach starts with tailored nanoparticles. Compaction and thermal treatment…
The issue of ice accumulation at low-temperature circumstances causes multiple problems and serious damages in many civil infrastructures which substantially influence human daily life. However, despite the significant consideration in…
We present a first-principles study of semiconducting carbon nanotubes adsorbed on the unpassivated Si(100) surface. We have found metallicity for the combined system caused by n-doping of the silicon slab representing the surface by the…
This study sequentially investigates the enhancement of fracture behavior in adhesive joints. Initially, mechanical sanding techniques were explored, revealing significant improvements of 55% in fracture energy and 38% in load-bearing…