Related papers: Design of Copolymeric Materials
Mixture quality plays a crucial role in the physical properties of multi-component immiscible polymer mixtures including nanocomposites and polymer blends. Such complex mixtures are often characterized by hierarchical internal structures,…
We introduce a compact yet highly expressive design space for shellular metamaterials. By employing only a few dozen degrees of freedom, this design space represents geometries ranging from simple planar configurations to complex triply…
The production of sequence-specific copolymers using copolymer templates is fundamental to the synthesis of complex biological molecules and is a promising framework for the synthesis of synthetic chemical complexes. Unlike the…
We investigate the ab-initio homogenization of separable metamaterials with factorized dielectric permittivity profile which can be achieved through suitable grey-scale permittivity design techniques. Separability allows such metamaterials…
In this paper we study monomial multiple structures on a linear subspace of codimension two in projective space. We show that these structures determine smooth points in their respective Hilbert schemes, with (smooth) neighbourhoods of two…
The directed self-assembly (DSA) of block copolymers (BCPs) offers a highly promising approach for the fabrication of contact holes or vertical interconnect access at sub-7nm technology nodes. To fabricate circular holes with precisely…
The design of complex materials and the formation of specific patterns often arise from the properties of the individual building blocks. In this respect, colloidal systems offer a unique opportunity because nowadays they can be synthesized…
We provide a constructive algorithm to find the best separable approximation to an arbitrary density matrix of a composite quantum system of finite dimensions. The method leads to a condition of separability and to a measure of…
Trapping macromolecules in nanopits finds multifarious applications in polymer separation, filtering biomolecules etc. However, tuning the locomotion of polymers in channels of nanoscopic dimensions is greatly restricted by the comparative…
Polymers with the same chemical composition can provide different properties by reducing the dimension or simply by altering their nanostructure. Recent literature works report hundreds of examples of advances methods in the fabrication of…
We discuss in detail a recently proposed hybrid particle-continuum scheme for complex fluids and evaluate it at the example of a confined homopolymer solution in slit geometry. The hybrid scheme treats polymer chains near the impenetrable…
In this study, we address the challenge of solving elliptic equations with quasiperiodic coefficients. To achieve accurate and efficient computation, we introduce the projection method, which enables the embedding of quasiperiodic systems…
Block copolymers are recognised as a valuable platform for creating nanostructured materials with unique properties. Morphologies formed by block copolymer self-assembly can be transferred into a wide range of inorganic materials, enabling…
Using exact enumeration methods and Monte Carlo simulations we study the phase diagram relative to the conformational transitions of a two dimensional diblock copolymer. The polymer is made of two homogeneous strands of monomers of…
The generation of molecules with Artificial Intelligence (AI) is poised to revolutionize materials discovery. Potential applications range from development of potent drugs to efficient carbon capture and separation technologies. However,…
Finding affordable ways of generating high-density ordered nanostructures that can be transferred to a substrate is a major challenge for industrial applications like memories or optical devices with high resolution features. In this work,…
Numerical algebraic geometry provides a number of efficient tools for approximating the solutions of polynomial systems. One such tool is the parameter homotopy, which can be an extremely efficient method to solve numerous polynomial…
Polymer informatics tools have been recently gaining ground to efficiently and effectively develop, design, and discover new polymers that meet specific application needs. So far, however, these data-driven efforts have largely focused on…
The polymer systems are discussed in the framework of the Landau-Ginzburg model. The model is derived from the mesoscopic Edwards hamiltonian via the conditional partition function. We discuss flexible, semiflexible and rigid polymers. The…
We present a Monte Carlo algorithm that provides efficient and unbiased sampling of polymer melts consisting of two chains of equal length that jointly visit all the sites of a cubic lattice with rod geometry L x L x rL and non-periodic…