相关论文: Crystallinity and Crystallographic Texture in Isot…
We demonstrate a practical way to perform decomposition of the elasto-plastic deformation directly from atomistic simulation snapshots. Through molecular dynamics simulations on a large single crystal, we elucidate the intricate process of…
Black Phosphorus (bP) has emerged as an interesting addition to the category of two-dimensional materials. Surface-science studies on this material are of great interest, but they are hampered by bP's high reactivity to oxygen and water, a…
Inverted solubility--a crystal melting upon cooling--is observed in a handful of proteins, such as carbomonoxy hemoglobin and $\gamma$D-crystallin. In human $\gamma$D-crystallin, the phenomenon is associated with the mutation of the…
In this paper droplet evaporative crystallization of salicylic acid (SA) and acetylsalicylic acid (ASA) crystals on different surfaces, such as glass, polyvinyl alcohol (PVA), and paraffin was studied. The obtained crystals were analyzed…
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…
The molecular dynamics in the ambient-pressure solid phase of (1,1,2)-trichloroethane is studied by means of broadband dielectric spectroscopy and molecular dynamics simulations. The dielectric spectra of polycrystalline samples obtained by…
It is shown here that fracture after a brief plastic strain, typically of a few percents, is a necessary consequence of the polycrystalline nature of the materials. The polycrystal undergoing plastic deformation is modeled as a flowing…
The Poynting effect generically manifests itself as the extension of the material in the direction perpendicular to an applied shear deformation (torsion) and is a material parameter hard to design. Unlike isotropic solids, in designed…
We subject a monodomain cholesteric liquid crystal elastomer to uniaxial strain perpendicular to its helical axis and study the response of its texture to deformation. A combination of mechanical, optical and X-ray scattering measurements…
Multiscale periodic metamaterials have been designed for numerous applications, such as impact absorption, acoustic cloaking, photonic band gaps, and mechanical logic gates. This prior work has focused on optimizing mesoscale structure for…
We study numerically the crystallization of a hard-sphere mixture with 8\% polydispersity. Although often used as a model glass former, for small system sizes we observe crystallization in molecular dynamics simulations. This opens the…
The mechanical properties of crystalline materials can be substantially modified under confinement. Such modified macroscopic properties are usually governed by the altered microstructures and internal stress fields. Here, we use a parallel…
From microactuators to biological tissues, non-porous materials with the ability to strongly expand when in contact with a solvent are ubiquitous. Consequently, the swelling of polymer systems such as hydrogel has received recently much…
Temperature changes during the growth of lamellar polymer crystals give rise to steps on the surface of the crystals. It has recently been suggested that these steps could provide important insights into the mechanism of polymer…
The material properties of polycrystals are strongly affected by the evolution and coarsening of their internal grain structures. Yet, studying this process is challenging due to the complex interactions within grain boundary networks.…
The article reports droplet evaporation kinetics on inclined substrates. Comprehensive experimental and theoretical analyses of the droplet evaporation behaviour for different substrate declination, wettability and temperatures have been…
We show that two-dimensional systems of deformable particles undergo a continuous liquid-hexatic transition upon compression or cooling, but no hexatic-solid transition-even at zero temperature and high density. Numerical simulations reveal…
A previous study (Paper I) investigated the polarization properties of a variety of simple convex grain shapes, some of which were found to be consistent with the observed polarization properties of interstellar dust from far-ultraviolet to…
Sliding ferroelectricity is a recently observed polarity existing in two-dimensional materials. However, due to their weak polarization and poor electrical insulation in these materials, all available experimental evidence till now are…
Orientational dynamics in the isotropic phase of a comb-shaped nematic polymer with mesogenic and functional side groups was studied using the Kerr effect and dielectric spectroscopy. For the first time, it was found that in a mesogenic…