Related papers: Finite Size Effect of Nanoparticles to the Atomic …
The size-dependent structure of CdSe nanoparticles, with diameters ranging from 2 to 4 nm, has been studied using the atomic pair distribution function (PDF) method. The core structure of the measured CdSe nanoparticles can be described in…
Quantitatively reliable atomic pair distribution functions (PDFs) have been obtained from nanomaterials in a straightforward way from a standard laboratory transmission electron microscope (TEM). The approach looks very promising for making…
Here we show explicitly the relationship between the functions used in the atomic pair distribution function (PDF) method and those commonly used in small angle scattering (SAS) analyses. The origin of the sloping baseline, $-4\pi r\rho_0$,…
The influence of periodic boundary conditions (implicit finite-size effects) on the anisotropy of pair correlations in computer simulations is studied for a dense classical fluid of pair-wise interacting krypton atoms near the triple point.…
Equations for the reduced structure function and atomic pair distribution function (PDF) of a textured polycrystalline sample are formulated in terms of the orientational distribution function (ODF) and the structure function from a single…
For advanced applications in modern industry it is very important to reduce the volume of ferroelectric nanoparticles without serious deterioration of their polar properties. In many practically important cases fixed volume (rather than…
The availability of neutron spallation-source instruments that provide total scattering powder diffraction has led to an increased application of real-space structure analysis using the pair distribution function. Currently, the analytical…
We study the finite-size and surface effects on the thermal and spatial behaviors of the magnetisation of a small magnetic particle. We consider two systems: 1) A box-shaped isotropic particle of simple cubic structure with either periodic…
We extends pair distribution function (PDF) analysis into the small-angle scattering (SAS) regime and describe the data collection protocol for optimum data quality. We also present the PDFgetS3 software package that can be readily used to…
Parton distribution functions (PDFs) are important quantities in describing nucleon structures. They are universal and process-independent. As a matter of fact, nucleon PDFs are inevitably affected by nuclear matter during nuclear…
We present an analytical framework that predicts and controls nanoparticle size through external magnetic fields, uniting first-principles thermodynamics with a sphere packing approach. Calibrated to diamagnetic silver nanoparticles (20 nm…
The diffusion of finite-size hard-core interacting particles in two- or three-dimensional confined domains is considered in the limit that the confinement dimensions become comparable to the particle's dimensions. The result is a nonlinear…
A new and simple statistical approach is performed to calculate the parton distribution functions (PDFs) of the nucleon in terms of light-front kinematic variables. Analytic expressions of x-dependent PDFs are obtained in the whole x…
In this work, we employ hybrid and generalized gradient approximation (GGA) level density functional theory (DFT) calculations to investigate the convergence of surface properties and band structure of rutile titania (TiO$_2$) nanoparticles…
Parton Distribution Functions (PDFs) are a key ingredient in theoretical predictions for Large Hadron Collider (LHC) observables and play a central role in the extraction of precision Standard Model (SM) and Beyond the SM (BSM) parameters…
We investigate the behavior of mixed 3He-4He droplets on alkali surfaces at zero temperature, within the frame of Finite Range Density Functional theory. The properties of one single 3He atom on 4He_N4 droplets on different alkali surfaces…
In this contribution we present a status report on the recent progress towards an analysis of nuclear parton distribution functions (nPDFs) using the NNPDF methodology. We discuss how the NNPDF fitting approach can be extended to account…
The kinetics of order-disorder transition of FePt nanoparticles during high temperature annealing is theoretically investigated. A model is developed to address the influence of large surface to volume ratio of nanoparticles on both the…
For lattice calculations with light dynamical quarks, finite size effects have become an important aspect. We study finite size effects in nucleon masses on N_f=2 dynamical lattices of 1-2 fm. Predictions for the finite size effects are…
Quantum size effects in armchair graphene nano-ribbons (AGNR) with hydrogen termination are investigated via density functional theory (DFT) in Kohn-Sham formulation. "Selection rules" will be formulated, that allow to extract…