相关论文: Iron phosphate glass structure at different length…
Spherical spin glasses are canonical models for smooth random functions in high dimensions. In this review, we survey several interrelated lines of research on their geometric structure. We begin with results concerning critical points and…
The overall goal of this thesis is to investigate the connection between the dynamics and structure of molecular glass formers, by testing different scaling laws for both. The inspiration for this work is the Isomorph theory because it…
The growing sluggishness of glass-forming liquids is thought to be accompanied by growing structural order. The nature of such order, however, remains hotly debated. A decade ago, point-to-set (PTS) correlation lengths were proposed as…
This paper reports the presence of extended-range ordering in the atomic pair-correlation function of amorphous silicon ($a$-Si) using ultra-large atomistic models obtained from Monte Carlo and molecular-dynamics simulations. The…
Hybrid glasses connect emerging fields of metal-organic frameworks (MOFs) with the glass-formation, amorphization, and melting processes of these structurally diverse and chemically versatile systems. Most zeolites, including MOFs,…
Elemental phosphorus exhibits fascinating structural varieties and versatile properties. The unique nature of phosphorus bonds can lead to the formation of extremely complex structures, and detailed structural information on some phosphorus…
While the transformation of flowing liquids into rigid glasses is omnipresent, a complete understanding of vitrification remains elusive. Of the numerous approaches aimed at solving the glass transition problem, the Random First-Order…
Boron phosphide (BP) is a (super)hard semiconductor constituted of light elements, which is promising for high demand applications at extreme conditions. The behavior of BP at high temperatures and pressures is of special interest but is…
The temperature evolution of icosahedral medium-range order formed by interpenetrating icosahedra in CuZr metallic glass-forming liquids was investigated via molecular dynamics simulations. Scaling analysis based on percolation theory was…
The equilibrium short-range order (SRO) in Cu-Pd alloys is studied theoretically. The evolution of the Fermi surface-related splitting of the (110) diffuse intensity peak with changing temperature is examined. The results are compared with…
Synchrotron X-ray diffraction measurements have been conducted on liquid phosphorus trichloride, tribromide and triiodide. Molecular Dynamics simulations for these molecular liquids were performed with a dual purpose: (1) to establish…
Using molecular dynamics simulations, we have studied the atomic correlations characterizing the second peak in the radial distribution function (RDF) of metallic glasses and liquids. The analysis was conducted from the perspective of…
Understanding the atomic-scale structure and dynamics of amorphous oxide surfaces is essential for interpreting their chemical reactivity, mechanical stability, and interfacial behavior, yet direct experimental characterization remains…
We exemplarily investigate how optical properties of single scatterers in interacting multi-particle systems influence measurable structure factors. Both particles with linear gradients of their scattering length density and core-shell…
The chemical evolution of galaxies is investigated within the framework of the star formation rate (SFR) dependent integrated galactic initial mass function (IGIMF). We study how the global chemical evolution of a galaxy and in particular…
The generalized entropy theory is applied to assess the joint influence of the microscopic cohesive energy and chain stiffness on glass formation in polymer melts using a minimal model containing a single bending energy and a single…
We study random close packed systems of magnetic spheres by Monte Carlo simulations in order to estimate their phase diagram. The uniaxial anisotropy of the spheres makes each of them behave as a single Ising dipole along a fixed easy axis.…
The short-range structure of an iron doped soda-lime glass was investigated by infrared emissivity spectroscopy from room temperature up to the melt. Quantitative information on the distribution of the Q^n tetrahedral units was obtained by…
Pd$_{81}$Ge$_{19}$ metallic glass was investigated by neutron diffraction, X-ray diffraction and extended X-ray absorption fine structure spectroscopy (EXAFS) at the Ge K-edge. Large scale structural models were obtained by fitting the…
Metallic alloys often form phases - known as solid solutions - in which chemical elements are spread out on the same crystal lattice in an almost random manner. The tendency of certain chemical motifs to be more common than others is known…