Related papers: Quantifying multi-point ordering in alloys
To enlighten the nature of the order-disorder and order-order transitions in block copolymer melts confined in narrow capillaries we analyze peculiarities of the conventional Landau weak crystallization theory of systems confined to…
The coupled cluster method (CCM) is a powerful and widely applied technique of modern-day quantum many-body theory. It has been used with great success in order to understand the properties of quantum magnets at zero temperature. This is…
Machine learning interatomic potentials (MLIPs) enable large-scale atomistic simulations but remain challenged in describing mixed-valence materials where charge ordering strongly influences thermodynamic stability. Here we investigate the…
Crystalline materials have atomic-scale fluctuations in their chemical composition that modulate various mesoscale properties. Establishing chemistry-microstructure relationships in such materials requires proper characterization of these…
First, second and third nearest neighbor mixing potentials for FePt alloys, were calculated from first principles using a Connolly-Williams approach. Using the mixing potentials obtained in this manner, the dependency of equilibrium L1_0…
We propose many-body order parameters for bulk multipoles in crystalline systems, which originate from the non-trivial topology of the nested Wilson loop spectrum. The many-body order parameters are designed to measure multipolar charge…
The number of clusters per site $n(p)$ in percolation at the critical point $p = p_c$ is not itself a universal quantity---it depends upon the lattice and percolation type (site or bond). However, many of its properties, including…
Preordering is a generalization of clustering and partial ordering with applications in bioinformatics and social network analysis. Given a finite set $V$ and a value $c_{ab} \in \mathbb{R}$ for every ordered pair $ab$ of elements of $V$,…
We calculate the average number of critical points $\overline{\mathcal{N}}$ of the energy landscape of a many-body system with disordered two-body interactions and a weak on-site potential. We find that introducing a weak nonlinear on-site…
We show in simulations that a rich variety of novel orderings such as pinwheel and star states can be realized for colloidal molecular crystal mixtures at rational ratios of the number of colloids to the number of minima from an underlying…
We propose that systems exhibiting compositional patterning at the nanoscale, so far assumed to be due to some kind of ordered phase segregation, can be understood instead in terms of coherent, single phase ordering of minority motifs,…
For a given set of intervals on the real line, we consider the problem of ordering the intervals with the goal of minimizing an objective function that depends on the exposed interval pieces (that is, the pieces that are not covered by…
Sought-after ordered structures of mixtures of hard anisotropic nanoparticles can often be thermodynamically unfavorable due to the components' geometric incompatibility to densely pack into regular lattices. A simple compatibilization rule…
We report an easy and broadly applicable method for the controlled self-assembly of atomically precise Au32(nBu3P)12Cl8 nanoclusters into micro-crystals. This enables the determination of emergent optoelectronic properties resulting from…
Many physical systems are well modeled as collections of interacting particles. Nevertheless, a general approach to quantifying the absolute degree of order immediately surrounding a particle has yet to be described. Motivated thus, we…
We present a universal method for the large-scale prediction of the atomic structure of clusters. Our algorithm performs the joint evolutionary search for all clusters in a given area of the compositional space and takes advantage of…
We consider the problem of partial order production: arrange the elements of an unknown totally ordered set T into a target partially ordered set S, by comparing a minimum number of pairs in T. Special cases include sorting by comparisons,…
Phase diagram and pattern formation in two-dimensional Ising model with coupling between order parameter and lattice vibrations is investigated by Monte-Carlo simulations. It is shown that if the coupling is strong enough (or phonons are…
We derive a new high-order compact finite difference scheme for option pricing in stochastic volatility jump models, e.g. in Bates model. In such models the option price is determined as the solution of a partial integro-differential…
This study contributes to the body of work on instabilities in the homogeneous cooling system focusing on clustering in the multiphase gas-particle system. The critical system size for the onset of instability, $L^*_c$, is studied via three…