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Many molecular properties depend on 3D geometry, where non-covalent interactions, stereochemical effects, and medium- to long-range forces are determined by spatial distances and angles that cannot be uniquely captured by a 2D bond graph.…
Water condensation on superhydrophobic surfaces can generate spontaneous droplet jumping, enabling rapid condensate removal and improved thermal and mass transfer. Although this effect has been extensively demonstrated on densely packed…
Compound droplets can be used in substance encapsulation and material compartmentalization to achieve a precise control over the relevant processes in many applications, such as bioanalysis, pharmaceutical manufacturing, and material…
Multi-frame depth estimation improves over single-frame approaches by also leveraging geometric relationships between images via feature matching, in addition to learning appearance-based features. In this paper we revisit feature matching…
Models that involve coupled dynamics in a mixed-dimensional geometry are of increasing interest in several applications. Here, we describe the development of a simulation model for flow in fractured porous media, where the fractures and…
Machine learning has become a crucial tool for predicting the properties of crystalline materials. However, existing methods primarily represent material information by constructing multi-edge graphs of crystal structures, often overlooking…
Modeling the associations between real world entities from their multivariate cross-sectional profiles can provide cues into the concerted working of these entities as a system. Several techniques have been proposed for deciphering these…
A phase-field model is used to capture the surfactant-driven formation of fracture patterns in particulate monolayers. The model is intended for the regime of closely-packed systems in which the mechanical response of the monolayer can be…
The immersed boundary method is an approach to fluid-structure interaction that uses a Lagrangian description of the structural deformations, stresses, and forces along with an Eulerian description of the momentum, viscosity, and…
We explore quantitative descriptors that herald when a many-particle system in $d$-dimensional Euclidean space $\mathbb{R}^d$ approaches a hyperuniform state as a function of the relevant control parameter. We establish quantitative…
We present and discuss a novel approach to deal with conservation properties for the simulation of nonlinear complex porous media flows in the presence of: 1) multiscale heterogeneity structures appearing in the elliptic-pressure-velocity…
We connect the configurational entropy of a liquid to the geometrical properties of its local energy landscape, using a high-temperature expansion. It is proposed that correlations between local structures arises from their overlap and,…
The glassy dynamics in confluent epithelial monolayers is crucial for several biological processes, such as wound healing, embryogenesis, cancer progression, etc. Several experiments have indicated that, unlike particulate systems, the…
We address the problem of merging graph and feature-space information while learning a metric from structured data. Existing algorithms tackle the problem in an asymmetric way, by either extracting vectorized summaries of the graph…
This paper provides an extended level set (X-LS) based topology optimiza- tion method for multi material design. In the proposed method, each zero level set of a level set function {\phi}ij represents the boundary between materials i and j.…
We study the structure and morphological changes of fluids that are in contact with solid composites formed by alternating and microscopically wide stripes of two different materials. One type of the stripes interacts with the fluid via…
We present a multi-scale computational framework suitable for designing solid lubricant interfaces fully in silico. The approach is based on stochastic thermodynamics founded on the classical thermally activated two-dimensional…
Understanding the connection between structure, dynamics, and fragility, the rate at which the relaxation time grows with decreasing temperature, is central to unravelling the glass transition. Fragility is often associated with dynamic…
Microstructural heterogeneity affects the macro-scale behavior of materials. Conversely, load distribution at the macro-scale changes the microstructural response. These up-scaling and down-scaling relations are often modeled using…
At elevated temperature environments, elastic structures experience a change of the stress-free state of the body that can strongly influence the optimal topology of the structure. This work presents level-set based topology optimization of…