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Nanoparticles (NPs) make for intriguing heterogeneous catalysts due to their large active surface area and excellent and often size-dependent catalytic properties that emerge from a multitude of chemically different surface reaction sites.…
Developable surfaces are commonly observed in various applications such as architecture, product design, manufacturing, mechanical materials, and data physicalization as well as in the development of tangible interaction and deformable…
We study the nonlinear electrostatic response of electrolyte-filled, hollow charged nanoparticles, modeled as nanocapacitors with finite wall thickness and curved geometry.
Active matter is characterized by its ability to induce motion by self-generated stress. In the case of a solid, such motion can lead to shape transformations. The stress-generating components can be anisotropic endowing the material with…
Models for fluid deformable surfaces provide valid theories to describe the dynamics of thin fluidic sheets of soft materials. To use such models in morphogenesis and development requires to incorporate active forces. We consider active…
We report a multiscale modeling study for charged cylindrical nanopores using three modeling levels that include (1) an all-atom explicit-water model studied with molecular dynamics (MD), and reduced models with implicit water containing…
We consider planar liquid crystal elastomers: two dimensional objects made of anisotropic responsive materials, that upon activation remain flat however change their planar shape. We derive a closed form, analytical solution based on the…
Block copolymers often create droplets when placed on a substrate. Such nanostructured droplets can be arranged into regular microstructured arrays, thereby forming hierarchically organized materials that can be used in microelectronics,…
A systematic analysis of defect textures in facetted nanoparticles with polygonal configurations embedded in a nematic matrix is performed using the Landau-de Gennes model, homeotropic strong anchoring in a square domain with uniform…
When sheets of layered material like C, WS$_2$ or BN are restricted to finite sizes, they generally form single- and multi-walled hollow nanoparticles in order to avoid dangling bonds. Using continuum approaches to model elastic deformation…
In this article, we study the thermodynamic behavior of anisotropic shape (rod and disk) nanoparticle within the block copolymer matrix by using self-consistent field theory (SCFT) simulation. In particular, we introduce various defect…
We connect the theories of the deformation of elastic surfaces and phase surfaces arising in the description of almost periodic patterns. In particular, we show parallels between asymptotic expansions for the energy of elastic surfaces in…
The self-assembly of polymer grafted nanoparticles is more and more used in the field of functional materials. However, there is still a lack of analysis on the dynamic transformation paths of different self-assembly morphologies, which…
In a recent paper by Iglesias, Rumpf and Scherzer (Found. Comput. Math. 18(4), 2018) a variational model for deformations matching a pair of shapes given as level set functions was proposed. Its main feature is the presence of anisotropic…
Nanowires play a pivotal role across a spectrum of disciplines such as nanoelectromechanical systems, nanoelectronics, and energy applications. As nanowires continue to diminish in dimensions, their mechanical characteristics are…
Liquid crystalline elastomers (LCEs) are shape-changing materials that exhibit large deformations in response to applied stimuli. Local control of the orientation of LCEs spatially directs the deformation of these materials to realize…
Nanoparticles can influence the properties of polymer materials by a variety of mechanisms. With fullerene, carbon nanotube, and clay or graphene sheet nanocomposites in mind, we investigate how particle shape influences the melt shear…
Rechargeable batteries that incorporate shaped three-dimensional electrodes have been shown to have increased power and energy densities for a given footprint area when compared to a conventional geometry, i.e., a planar cathode and anode…
Cellulose, as a naturally abundant and biocompatible material, is still gaining interest due to its high potential for functionalization. This makes cellulose a promising candidate for replacing plastics. Understanding how cellulose…
Anisotropic electronic transport is a possible route towards nanoscale circuitry design, particularly in two-dimensional materials. Proposals to introduce such a feature in patterned graphene have to date relied on large-scale structural…