Related papers: A Topological Framework for Local Structure Analys…
There is an ever-growing need for predictive models for the elasto-viscoplastic deformation of solids. Our goal in this paper is to incorporate recently developed out-of-equilibrium statistical concepts into a thermodynamically consistent,…
We use a simple fragmentation model to describe the statistical behavior of the Voronoi cell patterns generated by a set of points in 1D and in 2D. In particular, we are interested in the distribution of sizes of these Voronoi cells. Our…
There are two prominent applications of the mathematical concept of topology to the physics of materials: band topology, which classifies different topological insulators and semimetals, and topological defects that represent immutable…
Although crystalline solids are characterized by their periodic structures, some are only periodic on average and deviate on a local scale. Distinct local orderings can exist with identical periodic structures making their differences…
We stress the importance of stochastic geometry as a branch of mathematical statistics particularly suited to model and investigate nontrivial spatial patterns. One of its key concepts, Voronoi tessellations, represents a versatile and…
Topological defects are distinctive signatures of liquid crystals. They profoundly affect the viscoelastic behavior of the fluid by constraining the orientational structure in a way that inevitably requires global changes not achievable…
In this combined experimental and simulation study, we utilize bond-order topology to quantitatively match particle volume fraction in mechanically uniformly compressed colloidal suspensions with temperature in atomistic simulations. The…
A jammed packing of frictionless spheres at zero temperature is perfectly specified by the network of contact forces from which mechanical properties can be derived. However, we can alternatively consider a packing as a geometric structure,…
Nonlinear topological insulators have garnered substantial recent attention as they have both enabled the discovery of new physics due to interparticle interactions, and may have applications in photonic devices such as topological lasers…
The plasticity of amorphous solids undergoing shear is characterized by quasi-localized rearrangements of particles. While many models of plasticity exist, the precise relationship between plastic dynamics and the structure of a particle's…
Amorphous materials lack long-range order but short-range order can still persist through the recurrence of similar local packing motifs. While the short-range order in bulk amorphous phases has been well studied and identified as an…
A new methodological approach for the study of topology for shapes made of arrangements of lines, planes or solids is presented. Topologies for shapes are traditionally built on the classical theory of point-sets. In this paper, topologies…
The stability of chemically complex nanoparticles is governed by an immense configurational space arising from heterogeneous local atomic environments across surface and interior regions. Efficiently identifying low-energy configurations…
Topology optimization is an important basis for the design of components. Here, the optimal structure is found within a design space subject to boundary conditions. Thereby, the specific material law has a strong impact on the final design.…
In this paper, we study the construction of structural models for the description of substitutional defects in crystalline materials. Predicting and designing the atomic structures in such systems is highly challenging due to the…
We use the isoconfigurational (IC) ensemble to show the connection between emerging heterogeneities in the tetrahedral order parameter and the dynamic propensity in a mildly undercooled glass-forming liquid. We observe that spatially…
Amorphous solids lack long-range order. Therefore identifying structural defects -- akin to dislocations in crystalline solids -- that carry plastic flow in these systems remains a daunting challenge. By comparing many different structural…
The method of the space dependent basis is applied to study electronic spinors in a crystal. The crystal in the momentum space is described by the Brillouine zone which might contains obstructions or degeneracies for which requires…
We derive a mesoscopic modeling and simulation technique that is very close to the technique known as dissipative particle dynamics. The model is derived from molecular dynamics by means of a systematic coarse-graining procedure. Thus the…
Structured optimization uses a prescribed set of atoms to assemble a solution that fits a model to data. Polarity, which extends the familiar notion of orthogonality from linear sets to general convex sets, plays a special role in a simple…