Related papers: Equilibrium cluster fluids: Pair interactions via …
Amorphous (disordered) materials are solids that have shown great potential in various domains, including energy storage, thermal management, and advanced materials. Unlike crystalline materials that can be described by unit cells…
This work deals with the inverse design in the field of photonic crystal based devices. Here an inverse method containing a fast and accurate simulation method integrated with a competent optimization method is presented. Two designs…
We report Monte Carlo results for the fluid structure of a system of dimeric particles interacting via a core-softened potential. More specifically, dimers interact through a repulsive pair potential of inverse-power form, modified in such…
The traditional goal of inverse self-assembly is to design interactions that drive particles toward a desired target structure. However, achieving successful self-assembly also requires tuning the thermodynamic conditions under which the…
We investigate the formation of cluster crystals with multiply occupied lattice sites on a spherical surface in systems of ultra-soft particles interacting via repulsive, bounded pair potentials. Not all interactions of this kind lead to…
Positioned between crystalline solids and liquids, disordered many-particle systems which are stealthy and hyperuniform represent new states of matter that are endowed with novel physical and thermodynamic properties. Such stealthy and…
There is no convincing evidence that backpropagation is a biologically plausible mechanism, and further studies of alternative learning methods are needed. A novel online clustering algorithm is presented that can produce arbitrary shaped…
We developed an inverse design framework enabling automated generation of stable multi-component crystal structures by optimizing the formation energies in the latent space based on reversible crystal graphs with continuous representation.…
Inverse design, where we seek to design input variables in order to optimize an underlying objective function, is an important problem that arises across fields such as mechanical engineering to aerospace engineering. Inverse design is…
Background: An accurate way to incorporate long range Coulomb interaction alongside short-range nuclear interaction has been a challenge for theoretical physicists. Purpose: In this paper, we propose a methodology based on the reference…
Nonlinear metasurfaces offer a new paradigm to realize optical nonlinear devices with new and unparalleled behavior compared to nonlinear crystals, due to the interplay between photonic resonances and materials properties. The complicated…
The effects of mid-range repulsion in Lattice Boltzmann models on the coalescence/breakup behaviour of single-component, non-ideal fluids are investigated. It is found that mid-range repulsive interactions allow the formation of spray-like,…
A coarse-graining strategy, previously developed for polymer solutions, is extended here to mixtures of linear polymers and hard-sphere colloids. In this approach groups of monomers are mapped onto a single pseudoatom (a blob) and the…
In this Perspective, we highlight several recent studies that illustrate how inverse strategies using appropriate physical models and computational methods can address complex materials design questions.
The inverse design of microstructures plays a pivotal role in optimizing metamaterials with specific, targeted physical properties. While traditional forward design methods are constrained by their inability to explore the vast…
The morphology of a mixture made of a polar active gel immersed in an isotropic passive fluid is studied numerically. Lattice Boltzmann method is adopted to solve the Navier-Stokes equation and coupled to a finite-difference scheme used to…
This paper presents a new method of constructing physical models in a geophysical inverse problem, when there are only a few possible physical property values in the model and they are reasonably known but the geometry of the target is…
We investigate one-dimensional periodic chains of alternate type of particles interacting through mirror symmetric potentials. The optimality of the equidistant configuration at fixed density -- also called crystallization -- is shown in…
It is demonstrated by molecular dynamics simulations that liquids interacting via the Buckingham potential are strongly correlating, i.e., have regions of their phase diagram where constant-volume equilibrium fluctuations in the virial and…
We address the inverse problem of designing isotropic pairwise particle interaction potentials that lead to the formation of a desired lattice when a system of particles is cooled. The design problem is motivated by the desire to produce…