Related papers: Topological Data Analysis for Particulate Gels
Colloidal gels are prime examples of functional materials exhibiting disordered, amorphous, yet meta-stable forms. They maintain stability through short-range attractive forces and their material properties are tunable by external forces.…
Topological data analysis (TDA) is a rising field in the intersection of mathematics, statistics, and computer science/data science. The cornerstone of TDA is persistent homology, which produces a summary of topological information called a…
We report, for the first time, some experimental observations regarding a new type of long range interaction between rigid particles that prevails when they are suspended in an soft elastic gel. A denser particle submerges itself to a…
We study an elasticity model for compressed protein monolayers or particle rafts at a liquid interface. Based on the microscopic view of hard-core particles with soft shells, a bead-spring model is formulated and analyzed in terms of…
Descriptors play an important role in data-driven materials design. While most descriptors of crystalline materials emphasize structure and composition, they often neglect the electron density - a complex yet fundamental quantity that…
We use topological data analysis (TDA) to study how data transforms as it passes through successive layers of a deep neural network (DNN). We compute the persistent homology of the activation data for each layer of the network and summarize…
Molecular dynamics simulations have been employed to study the formation of a physical (thermoreversible) gel by amphiphilic A-B-A triblock copolymers in aqueous solution. In order to mimic the structure of hydrogel-forming polypeptides…
Assessing the quality of 3D printed models before they are printed remains a challeng- ing problem, particularly when considering point cloud-based models. This paper introduces an approach to quality assessment, which uses techniques from…
Ferrogels, i.e., hydrogels loaded with magnetic nanoparticles, have the ability to deform in external magnetic fields. The precise shape of deformation and the alignment of the gel in the field, however, depend on the interplay of several…
We investigate the large-scale structure of amorphous ices and transitions between their different forms by quantifying their large-scale density fluctuations. Specifically, we simulate the isothermal compression of low-density amorphous…
Our previous molecular dynamic simulation studies of simple two-dimensional (2D) systems \cite{matt_big} suggested that both geometrical defects (localized, large-amplitude deviations from hexagonal ordering) and topological defects…
We consider a dilute system of small hard beads or hard fibers immersed in a very soft gel able to withstand large elastic deformations. Because of its low to very low shear modulus, this system is very sensitive to small forces. We…
The shape of a molecule determines its physicochemical and biological properties. However, it is often underrepresented in standard molecular representation learning approaches. Here, we propose using the Euler Characteristic Transform…
Using molecular dynamics computer simulations we investigate the structural and dynamical properties of a simple model for a colloidal gel at low volume fraction. We find that at low T the system is forming an open percolating cluster,…
In topological data analysis (TDA), one often studies the shape of data by constructing a filtered topological space, whose structure is then examined using persistent homology. However, a single filtered space often does not adequately…
We use the nudged elastic band method from computational chemistry to analyze high-dimensional data. Our approach is inspired by Morse theory, and as output we produce an increasing sequence of small cell complexes modeling the dense…
We study a microscopically realistic model of a physical gel and use computer simulations to investigate its static and dynamic properties at thermal equilibrium. The phase diagram comprises a sol phase, a coexistence region ending at a…
We present a novel, self-consistent and robust theoretical model to investigate elastic interactions between topological defects in liquid crystal shells. Accounting for the non-concentric nature of the shell in a simple manner, we are able…
Our understanding of the structural features of foams and emulsions has advanced significantly over the last 20 years. However, with a search for "super-stable" liquid dispersions, foam and emulsion science employs increasingly complex…
Tools of Topological Data Analysis provide stable summaries encapsulating the shape of the considered data. Persistent homology, the most standard and well studied data summary, suffers a number of limitations; its computations are hard to…