Related papers: StrAPS: Structural Angular Power Spectrum for Disc…
A method of using partial symmetries to distinguish two dimensional symmetry protected topological (SPT) phases of on-site, unitary symmetries is proposed. This novel order parameter takes a wavefunction, such as a ground state of a lattice…
We present a novel method for characterizing the microstructure of a material from volumetric datasets such as 3D image data from computed tomography (CT). The method is based on a new statistical model for the distribution of voxel…
The band-unfolding method is widely used to calculate the effective band structures of a disordered system from its supercell model. The unfolded band structures show the crystallographic symmetry of the underlying structure, where the…
We show that by coupling complex three-state systems to branched-polymer like ensembles we can obtain models with gamma-string different from one half. It is also possible to study the interpolation between dynamical and crystalline graphs…
An exact analytical expression for the static structure factor $S(k)$ in disordered materials is derived from Fourier transformed neighbor distribution decompositions in real space, and permits to reconstruct the function $S(k)$ in an…
In many applications of absorbing structures it is important to understand their spatial response to incident fields, for example in thermal solar panels, bolometric imaging and controlling radiative heat transfer. In practice, the…
We consider ring polymers in good solvents in the dilute limit. We determine the structure factor and the monomer-monomer distribution function. We compute accurately the asymptotic behavior of these functions for small and large momenta…
The single-particle spectral function measures the density of electronic states (DOS) in a material as a function of both momentum and energy, providing central insights into phenomena such as superconductivity and Mott insulators. While…
The ability to tune the microstructures formed by block copolymers using accessible physical approaches provides control for practical material applications. A common strategy involves the addition of homopolymers, which can induce…
Symmetry-protected topological (SPT) phases exhibit nontrivial order if symmetry is respected but are adiabatically connected to the trivial product phase if symmetry is not respected. However, unlike the symmetry-breaking phase, there is…
Polymorphism, commonly denoting the variety of molecular or crystal structures, is a vital element in many natural science disciplines. In van der Waals layered antiferromagnets, a new type of magnetic polymorphism is allowed by having…
Amorphous phosphorus (a-P) has long attracted interest because of its complex atomic structure, and more recently as an anode material for batteries. However, accurately describing and understanding a-P at the atomistic level remains a…
Three-dimensional (3D) electronic band structure is fundamental for understanding a vast diversity of physical phenomena in solid-state systems, including topological phases, interlayer interactions in van der Waals materials,…
In this work, a new class of vector-valued phase field models is presented, where the values of the phase parameters are constrained by a convex set. The generated phase fields feature the partition of the domain into patches of distinct…
We present a new phase field crystal model for structural transformations in multi-component alloys. The formalism builds upon the two-point correlation kernel developed in Greenwood et al. for describing structural transformations in pure…
Machine learning can reveal new insights into X-ray spectroscopy of liquids when the local atomistic environment is presented to the model in a suitable way. Many unique structural descriptor families have been developed for this purpose.…
Spatial, amplitude and phase variations in spatial functional data are confounded. Conclusions from the popular functional trace variogram, which quantifies spatial variation, can be misleading when analysing misaligned functional data with…
We apply the mathematical formalism of vector spherical harmonics decomposition to convective stellar velocity fields from multi-dimensional hydrodynamics simulations, and show that the resulting power spectra furnish a robust and stable…
Semicrystalline polymers (SCP) represent important class of materials used in many applications from packaging to transportation to electronics to pharmaceuticals. Understanding the structure and dynamics of the crystalline and amorphous…
Multilayered van der Waals structures often lack periodicity, which difficults their modeling. Building on previous work for bilayers, we develop a tight-binding based, momentum space formalism capable of describing incommensurate…