The non-equilibrium pair distribution function at low densities

Pair density distribution function of membrane particles at low density.

Pair distribution function computed tomography.

An emerging theme of modern composites and devices is the coupling of nanostructural properties of materials with their targeted arrangement at the microscale. Of the imaging techniques developed that provide insight into such designer materials and devices, those based on diffraction are particularly useful. However, to date, these have been heavily restrictive, providing information only on m...

Reflections on the magnetic pair distribution function.

The recent application of the total scattering method to magnetic systems is discussed. The ability to determine the magnetic pair distribution function opens the door to the study of local order in magnetic systems ranging from multiferroics to dilute magnetic semiconductors.

Quantum correction to the pair distribution function

We report a numerical technique that allows the quantum effects of zero-point motion to be incorporated into Pair Distribution Functions calculated classically for molecules using Monte Carlo or Molecular Dynamics simulations. We establish the basis for this approximation using a diatomic molecule described by a Morse potential. The correction should significantly improve the agreement between ...

Detection and characterization of nanoparticles in suspension at low concentrations using the X-ray total scattering pair distribution function technique.

Difference atomic pair distribution function methods have been applied to detect and characterize nanoparticles suspended in a solvent at very dilute concentrations. We specifically consider nanoparticles of a pharmaceutical compound in aqueous solution using X-ray PDF methods, a challenging case due to the low atomic number of the nanoparticle species. The nanoparticles were unambiguously dete...