Related papers: On the polytypism of layered $\textit{MX}_2$ mater…
The pressure-induced polymorphism of binary octect compounds has long been considered a settled problem although the possible atomic disordering of some phases remains a puzzling observation. Taking GaP as a case study, we conclude, through…
In many applications involving binary variables, only pairwise dependence measures, such as correlations, are available. However, for multi-way tables involving more than two variables, these quantities do not uniquely determine the joint…
Crystalline materials can form different structural arrangements (i.e. polymorphs) with the same chemical composition, exhibiting distinct physical properties depending on how they were synthesized or the conditions under which they…
We have performed Density Functional Theory (DFT) based calculations to investigate the effects of stacking patterns on the electronic and magnetic properties of several Nitride MXenes. MXenes, a relatively new addition to the family of…
Stacking orders and topological defects substantially influence the physical properties of 2D van der Waals (vdW) materials. However, the inherent features of 2D materials challenge the effectiveness of single characterization techniques in…
We describe the problem of aggregating the label predictions of diverse classifiers using a class taxonomy. Such a taxonomy may not have been available or referenced when the individual classifiers were designed and trained, yet mapping the…
Polymer materials have the characteristic feature that they are multiscale systems by definition. Already the description of a single molecules involves a multitude of different scales, and cooperative processes in polymer assemblies are…
Multifunctional materials can exhibit emergent behavior from the coupling of two or more different properties. For example, coupling between magnetic and ferroelectric order enables electrical control of the magnetic state, enabling for…
The increased availability of interactive maps on the Internet and on personal mobile devices has created new challenges in computational cartography and, in particular, for label placement in maps. Operations like rotation, zoom, and…
We report the structure of transient fluctuations in the liquid phase of a two-dimensional system that exhibits several ordered phases with different symmetries. The density-temperature phase diagram of the system studied, composed of…
Multi-label classification (MLC) refers to the problem of tagging a given instance with a set of relevant labels. Most existing MLC methods are based on the assumption that the correlation of two labels in each label pair is symmetric,…
Controlling polytype selection in polymer-derived silicon carbide (SiC) remains challenging since stacking sequences are determined locally at the nucleation front. Here, we demonstrate an interface-driven strategy to bias SiC polytype…
The processes of Coulomb gas ordering in 3D layered system are studied by means of Brownian dynamics approach. It is found that at different densities of the carriers the 3D lattice of charges as well as new specific structures are possible…
Polymorphs are common in nature and can be stabilized by applying external pressure in materials. The pressure/strain can also be induced by the gradually accumulated radiation disorder. However, in semiconductors, the radiation disorder…
Coupled layer constructions are a valuable tool for capturing the universal properties of certain interacting quantum phases of matter in terms of the simpler data that characterizes the underlying layers. In the study of fracton phases,…
The existence of multiple amorphous states, or polyamorphism, remains one of the most debated phenomena in disordered matter, particularly regarding its microscopic origin and impact on glassy dynamics. Profiting of the enhanced data…
A 3D layered system of charges with logarithmic interaction parallel to the layers and random dipoles is studied via a novel variational method and an energy rationale which reproduce the known phase diagram for a single layer. Increasing…
With few systems of technological interest having been studied as extensively as elemental silicon, there currently exists a wide disparity between the number of predicted low-energy silicon polymorphs and those, which have been…
Many stochastic physical systems evolve smoothly over time in the sense that the distribution of states changes regularly across time steps. The transition from current state to the next state can often be modeled as the combination of a…
We extend the concept of graph isomorphisms to multilayer networks with any number of "aspects" (i.e., types of layering). In developing this generalization, we identify multiple types of isomorphisms. For example, in multilayer networks…