Related papers: Quantitative size-dependent structure and strain d…
Silicon nanoparticles possess unique size-dependent optical properties due to their strong electric and magnetic resonances in the visible range. However, their widespread application has been limited, in comparison to other (e.g. metallic)…
Cadmium selenide (CdSe) is an inorganic semiconductor with unique optical and electronic properties that made it useful in various applications, including solar cells, light-emitting diodes, and biofluorescent tagging. In order to…
We investigate the upscaling of diffusive transport parameters as function of pore scale material structure using a stochastic framework. We focus on sub-REV (representative elementary volume) scale where the complexity of pore space…
The nanostructure and the carbon distribution in a pearlitic steel processed by torsion under high pressure was investigated by three-dimensional atom probe. In the early stage of deformation (shear strain of 62), off-stoichiometry…
We use an efficient projection scheme for the Fock operator to analyze the size dependence of silicon quantum dots (QDs) electronic properties. We compare the behavior of hybrid, screened hybrid and local density functionals as a function…
Polymeric nanoparticles (NPs) have a great application potential in science and technology. Their functionality strongly depends on their size. We present a theory for the size of NPs formed by precipitation of polymers into a bad solvent…
From the analysis of sizes of approximately 130 small icosahedral viruses we find that there is a typical structural capsid protein, having a mean diameter of 5 nm and a mean thickness of 3 nm, with more than two thirds of the analyzed…
We present a theoretical description of excitons and positively and negatively charged trions in "giant" CdSe/CdS core-shell nanocrystals (NCs). The developed theory provides the parameters describing the fine structure of excitons in…
The volume and surface components of the nuclear symmetry energy (NSE) and their ratio are calculated within the coherent density fluctuation model (CDFM). The estimations use the results of the model for the NSE in finite nuclei based on…
This work investigated how the structure size affects the quasi-static and fatigue behaviors of graphene polymer nanocomposites, a topic that has been often overlooked. The results showed that both quasi-static and fatigue failure of these…
We calculate the diameter and chirality dependences of the binding energies, sizes, and bright-dark splittings of excitons in semiconducting single-wall carbon nanotubes (SWNTs). Using results and insights from {\it ab initio} calculations,…
Size effects have been predicted at the micro- or nano-scale for porous ductile materials from Molecular Dynamics, Discrete Dislocation Dynamics and Continuum Mechanics numerical simulations, as a consequence of Geometrically Necessary…
Atomic Force Microscope images of a crack intersecting the free surface of a glass specimen are taken at different stages of subcritical propagation. From the analysis of image pairs, it is shown that a novel Integrated Digital Image…
We report a detailed analysis of the optical properties of single wall carbon nanotubes with different mean diameters as produced by laser ablation. From a combined study of optical absorption, high resolution electron energy-loss…
We compute strain distributions in core-shell nanowires of zinc blende structure. We use both continuum elasticity theory and an atomistic model, and consider both finite and infinite wires. The atomistic valence force-field (VFF) model has…
A charge density wave (CDW) is one of the fundamental instabilities of the Fermi surface occurring in a wide range of quantum materials. In dimensions higher than one, where Fermi surface nesting can play only a limited role, the selection…
Recent Atomic Force Microscope (AFM) nanoindentation experiments measuring mechanical response of the protein shells of viruses have provided a quantitative description of their strength and elasticity. To better understand and interpret…
Powder X-ray Diffraction (PXRD) and Pair Distribution Function (PDF) analysis are well-established techniques for investigation of atomic configurations in crystalline materials, and the two are related by a Fourier transformation. In PXRD…
Three kinds of the response mechanisms to the external pressure have been found for double-walled carbon nanotube (DWNT) bundle, depending strongly on their average radius and symmetry. The small-diameter DWNT bundle undergoes a small…
Granular packing structures of cohesive micro-sized particles with different sizes and size distributions, including mono-sized, uniform and Gaussian distribution, are investigated by using two different history dependent contact models…