Related papers: Simple and efficient methods for local structural …
A novel algorithm to detect coherent structures with sparse Lagrangian particle tracking data, using Voronoi tessellation and techniques from spectral graph theory, is tested. Neighbouring tracer particles are naturally identified through…
We present, within Kohn-Sham Density Functional Theory calculations, a quantitative method to identify and assess the partitioning of a large quantum mechanical system into fragments. We then show how within this framework simple…
To obtain explicit understanding of the behavior of dynamical systems, geometrical methods and slow-fast analysis have proved to be highly useful. Such methods are standard for smooth dynamical systems, and increasingly used for continuous,…
This study proposes an innovative approach to analyze spatial patterns of behavior by integrating information in weighted Voronoi diagrams. The objective of the research is to analyze the temporal distribution of an experimental subject in…
Nonholonomic mechanical systems have been attracting more interest in recent years because of their rich geometric properties and their applications in Engineering. In all generality, we discuss the reduction of a Hamilton-Jacobi theory for…
By using theoretical analysis and molecular dynamics simulations, we investigate the structure of colloidal crystals formed by nonmagnetic microparticles (or magnetic holes) suspended in ferrofluids (called inverse ferrofluids), by taking…
By using event-driven molecular dynamics simulation, we investigate effects of varying the area fraction of the smaller component on structure, compressibility factor and dynamics of the highly size-asymmetric binary hard-disk liquids. We…
We employ inhomogeneous integral equation theory to investigate the equilibrium properties of hard disks confined to a channel of width $L$ by hard parallel walls. If the channel width is narrowed below two disk diameters, then the system…
We investigate the link between the geometric environment of particles, the local deformations of the solvent, and the bulk effective viscosity in non-Brownian suspensions. First, we discuss the caging of particles by their neighbors,and…
Deterministic diffusive systems such as the periodic Lorentz gas, multi-baker map, as well as spatially periodic systems of interacting particles, have non-equilibrium stationary states with fractal properties when put in contact with…
During a spontaneous change, a macroscopic physical system will evolve towards a macro-state with more realizations. This observation is at the basis of the Statistical Mechanical version of the Second Law of Thermodynamics, and it provides…
We developed a novel experimental technique to generate mechanically stable (MS) packings of frictionless granular disks. We performed a series of coordinated experiments and numerical simulations to enumerate the MS packings in small 2D…
Effective transport properties of heterogeneous structures are predicted by geometric microstructural parameters, but these can be difficult to calculate. Here, a boundary element code with a recurrent series method accurately and…
The new scheme employed (throughout the thermodynamic phase space), in the statistical thermodynamic investigation of classical systems, is extended to quantum systems. Quantum Nearest Neighbor Probability Density Functions are formulated…
Many materials containing colloids or polymers are polydisperse: They comprise particles with properties (such as particle diameter, charge, or polymer chain length) that depend continuously on one or several parameters. This review…
While the microscopic structure of defected solid crystalline materials has significant impact on their physical properties, efficient and accurate determination of a given polycrystalline microstructure remains a challenge. In this paper…
Using methods borrowed from machine learning we detect in a fully algorithmic way long range effects on local physical properties in a simple covalent system of carbon atoms. The fact that these long range effects exist for many…
A non-local dynamic homogenization technique for the analysis of a viscoelastic heterogeneous material which displays a periodic microstructure is herein proposed. The asymptotic expansion of the micro-displacement field in the transformed…
The dominant paradigm in computational materials discovery relies on heavily parameterized deep architectures, including message-passing graph networks and equivariant models, that require millions of DFT-labeled training structures and…
There is increasing interest in using high-energy collisions to probe the structure of nuclei, in particular with the high-precision data made possible by collisions performed with pairs of isobaric species. A systematic study requires a…