Related papers: Universal self-assembly of one-component three-dim…
If particles interact according to isotropic pair potentials that favor multiple length scales, in principle a large variety of different complex structures can be achieved by self-assembly. We present, motivate, and discuss a conjecture…
We have statistically characterized the self-assembly of multi-layer polystyrene colloidal crystals, using the technique of vertical deposition, with parameters chosen to produce thick layers of self-assembled crystals in one deposition…
In this study, we present atomic models of nanoparticles exhibiting seventh-order rotational symmetry. We established that the point group symmetry of these objects corresponds to the dihedral group D7v. To gain a deeper understanding of…
Frank-Kasper (F-K) phases form an important set of large-cell crystalline structures describing many inter-metallic alloys. They are usually described in term of their atomic environments, with atoms having $12, 14, 15$ and $16$ neighbours,…
The development of differentiable invariant descriptors for accurate representations of atomic environments plays a central role in the success of interatomic potentials for chemistry and materials science. We introduce a method to generate…
Topological phases of matter have sparked an immense amount of activity in recent decades. Topological materials are classified by topological invariants that act as a non-local order parameter for any symmetry and condition. As a result,…
The three-dimensional (3D) microstructures of polycrystalline materials exert a critical influence on their mechanical and physical properties. Realistic, controllable construction of these microstructures is a key step toward elucidating…
From dumbbells to FCC crystals, we study the self-assembly pathway of amphiphatic, spherical colloidal particles as a function of the size of the hydrophobic region using molecular dynamics simulations. Specifically, we analyze how local…
Structural studies on the icosahedral quasicrystals in Zn-Mg-Sc, Cu-Ga-Mg-Sc, and Zn-Mg-Ti alloys as well as their corresponding 1/1 cubic approximants, have revealed that these quasicrystals belong to a new structural group similar to…
One emerging approach for the fabrication of complex architectures on the nanoscale is to utilize particles customized to intrinsically self-assemble into a desired structure. Inverse methods of statistical mechanics have proven…
This paper reviews the current state-of-the-art in the simulation of the mechanical behavior of polycrystalline materials by means of computational homogenization. The key ingredients of this modelling strategy are presented in detail…
The formation of Mn-Cr-Ni-Si dodecagonal quasicrystal has been studied at 600 and 700 C. The growth process of the quasicrystal from as-cast beta-Mn phase was explained by Johnson-Mehl-Avrami equation. In order to evaluate structural…
Three-dimensional higher-order topological semimetals in crystalline systems exhibit higher-order Fermi arcs on one-dimensional hinges, challenging the conventional bulk-boundary correspondence. However, the existence of higher-order Fermi…
Quasicrystals (materials with long range order but without the usual spatial periodicity of crystals) were discovered in several soft matter systems in the last twenty years. The stability of quasicrystals has been attributed to the…
Colloidal particles can spontaneously self-assemble into ordered structures, which not only can manipulate the propagation of light, but also vibration or phonons. Using Monte Carlo simulation, we study the self-assembly of perfectly…
Electronic nematic order has been reported in a rich landscape of materials, encompassing not only a range of intertwined correlated and topological phenomena, but also different underlying lattice symmetries. Motivated by these findings,…
The intermetallic compound H (Mn$_7$Si$_2$V) phase in the Mn-Si-V alloy system can be regarded as an approximant phase of the dodecagonal quasicrystal as one of the two-dimensional quasicrystals. To understand the features of the…
We present a mesoscale field theory unifying the modeling of growth, elasticity, and dislocations in quasicrystals. The theory is based on the amplitudes entering their density-wave representation. We introduce a free energy functional for…
Theories of phase change and self-assembly often invoke the idea of a `quasiequilibrium', a regime in which the nonequilibrium association of building blocks results nonetheless in a structure whose properties are determined solely by an…
The simulated self-assembly of molecular building blocks into functional complexes is a key area of study in computational biology and materials science. Self-assembly simulations of proteins using physically-motivated potentials for…