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Gallium oxide with a corundum structure ({\alpha}-Ga2O3) has recently attracted great attention in view of electronic and photonic applications due to its unique properties including a wide band gap exceeding that of the most stable beta…
The isothermal, isobaric spontaneous crystallization of a supercooled polymer melt is investigated by MD simulation of an ensemble of fully-flexible linear chains. Frustration is introduced via two incommensurate length scales set by the…
Ion conducting polymers have a biphasic character with crystalline as well as amorphous phases. There is moreover, a dynamic disorder due to motion of polymer chain segments. The PEO-NH$_4$ClO$_4$ system undergoes a crossover from a…
We study ion condensation onto a patterned surface of alternating charges. The competition between self-energy and ion-surface interactions leads to the formation of ionic crystalline structures at low temperatures. We consider different…
Using self-consistent field and density-functional theories, we first investigate colloidal self-assembling of colloid/polymer films confined between two soft surfaces grafted by polymers. With the increase of colloidal concentrations, the…
Achieving deterministic control over the properties of low-dimensional materials with nanoscale precision is a long-sought goal. Mastering this capability has a transformative impact on the design of multifunctional electrical and optical…
Biological systems exploit self-assembly to create complex structures whose arrangements are finely controlled from molecular to mesoscopic level. Herein we report an example of using fully synthetic systems that mimic two levels of…
Modeling the atomic structure of amorphous materials has long been a critical challenge in materials science. Recent advances in monolayer amorphous materials enable direct observation of their atomic structures, paving the way for a better…
Despite intense research, methods for controlling soft matter's spontaneous self-assembly in-to well-defined layers remain a significant challenge. We observed ion-induced structural disconti-nuities of phospholipid vesicles that can be…
Control over the physical properties of materials is ubiquitously required in many fields. One means by which this can be achieved is controlling the internal structure of multi-component materials with an eye to enhancing mechanical…
In the past few years, phase-change materials have become increasingly important in nano-photonics and optoelectronics. The advantages of sizeable optical contrast between phases and the additional degree of freedom from phase switching…
Crystal phase is well studied and presents a periodical atom arrangement in three dimensions lattice, but the "amorphous phase" is poorly understood. Here, by starting from cage-like bicyclocalix[2]arene[2]triazines building block, a…
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…
DNA-coated particles are promising as building blocks for functional and finite-sized assemblies because they can be programmed with orthogonal interactions owing to the sequence-specific hybridization of DNA strands. To fully exploit this…
Building structures with hierarchical order through the self-assembly of smaller blocks is not only a prerogative of nature, but also a strategy to design artificial materials with tailored functions. We explore in simulation the…
Focused ion beam irradiation of metastable Fe$_{78}$Ni$_{22}$ thin films grown on Cu(100) substrates is used to create ferromagnetic, body-centered-cubic patterns embedded into paramagnetic, face-centered-cubic surrounding. The structural…
Crystalline films offer various physical properties based on the modulation of their thicknesses and atomic structures. The layer-by-layer assembly of atomically thin crystals provides powerful means to arbitrarily design films at the…
The processes of Coulomb gas ordering in 3D layered system are studied by means of Brownian dynamics approach. It is found that at different densities of the carriers the 3D lattice of charges as well as new specific structures are possible…
Controlling the polarization and wavefront of light is essential for compact photonic systems in modern science and technology. This may be achieved by metasurfaces, a new platform that has radically changed the way people engineer…
Solution-phase bottom up self-assembly of nanocrystals into superstructures such as ordered superlattices is an attractive strategy to generate functional materials of increasing complexity, including very recent advances that incorporate…