Search results for "crystals"
showing 10 items of 350 documents
CaSO4 and its pressure-induced phase transitions. A density functional theory study
2012
Theoretical investigations concerning possible calcium sulfate, CaSO(4), high-pressure polymorphs have been carried out. Total-energy calculations and geometry optimizations have been performed by using density functional theory at the B3LYP level for all crystal structures considered. The following sequence of pressure-driven structural transitions has been found: anhydrite, Cmcm (in parentheses the transition pressure) → monazite-type, P2(1)/n (5 GPa) → barite-type, Pnma (8 GPa), and scheelite-type, I4(1)/a (8 GPa). The equation of state of the different polymorphs is determined, while their corresponding vibrational properties have been calculated and compared with previous theoretical r…
Tuning the defect configurations in nematic and smectic liquid crystalline shells
2013
Thin liquid crystalline shells surrounding and surrounded by aqueous phases can be conveniently produced using a nested capillary microfluidic system, as was first demonstrated by Fernandez-Nieves et al. in 2007. By choosing particular combinations of stabilizers in the internal and external phases, different types of alignment, uniform or hybrid, can be ensured within the shell. Here, we investigate shells in the nematic and smectic phases under varying boundary conditions, focusing in particular on textural transformations during phase transitions, on the interaction between topological defects in the director field and inclusions in the liquid crystal (LC), and on the possibility to rel…
Efficient light-induced phase transitions in halogen-bonded liquid crystals
2016
Here, we present a new family of light-responsive, fluorinated supramolecular liquid crystals (LCs) showing efficient and reversible light-induced LC-to-isotropic phase transitions. Our materials design is based on fluorinated azobenzenes, where the fluorination serves to strengthen the noncovalent interaction with bond-accepting stilbazole molecules, and increase the lifetime of the cis-form of the azobenzene units. The halogen-bonded LCs were characterized by means of X-ray diffraction, hot-stage polarized optical microscopy, and differential scanning calorimetry. Simultaneous analysis of light-induced changes in birefringence, absorption, and optical scattering allowed us to estimate tha…
Bioinspired actuated adhesive patterns of liquid crystalline elastomers.
2012
Gecko-inspired arrays of micropillars made of a liquid crystalline elastomer display thermoswitchable adhesive behavior as a consequence of elongation changes caused by reorientation of the mesogens at the nematic-isotropic (N-I) phase transition.
Orientation and Dynamics of ZnO Nanorod Liquid Crystals in Electric Fields.
2010
ZnO nanorod polymer hybrids (i.e., ZnO nanorods coated with a block copolymer with a short anchor block (dopamine) and a longer solubilizing block of polystyrene (PS)) form liquid crystalline (LC) phases if they are dispersed at high concentration e.g., in a PS oligomer matrix. Due to the high mobility of the low T(g)-matrix the nanorod polymer hybrids show a switching behavior under an applied AC electric field. Hence, the orientation of the nanorod mesogens can be changed from planar (parallel to the substrate) to homeotropic (perpendicular) in full analogy to the switching of low molecular liquid crystals in an electric field. Dielectric measurements show that such a switching is mainly …
Nanosized shape-changing colloids from liquid crystalline elastomers.
2010
A method to prepare shape-changing nanospheres from liquid crystalline elastomers is reported. The nanosized colloids are prepared by a miniemulsion process. During this process, colloids are prepared from a liquid crystalline (LC) main-chain polyester and subsequently crosslinked into a nanometer-sized LC elastomer. The ability of these LC elastomers to change their shape at the phase transition temperature from the smectic A to the isotropic phase was detected by temperature-dependent transmission electron microscopy. The phase transition-induced shape change leads to strongly shape anisotropic nanosized elastomer particles.
Simulations clarify when supercooled water freezes into glassy structures
2014
Although liquid water is a ubiquitous substance and its properties are crucial for all living species, the precise understanding of these properties is still a matter of active scientific research. One rather mysterious aspect concerns the conditions when undercooled water freezes not into ice crystals but into glass-like structures. Based on a rather novel type of computer simulation approach, in PNAS, Limmer and Chandler (1) propose a nonequilibrium phase diagram that attempts to clarify the conditions (temperature, pressure, cooling protocol) under which one should observe transitions from undercooled water to different forms of amorphous ice.
Screening Order–Disorder Phase Transition in 1-D Perovskite-like Crystals of [Azetidinium]CdBr3
2022
In search for new polar compounds, we have synthesized the organic–inorganic hybrid [C3H8N]CdBr3 (AZECdBr3). This is a bromide analog of [C3H8N]CdCl3, which has been studied by us earlier. The chloride compound exhibited ferroelectric properties, so it seemed reasonable to check the properties of AZECdBr3. The AZECdBr3 crystals reveal three phase transitions (PTs): the first one (I → II) of the second order at 437.0/436.7 K (heating/cooling), the next (also of the second order) at 231.0 K (II → III), and the last one (classified as a first-order transition) at 197.0/194.0 K (III → IV). On the basis of the DSC data, the thermodynamic parameters have been estimated. The single-crystal X-ray m…
Dielectric-Optical Switches: Photoluminescent, EPR, and Magnetic Studies on Organic–Inorganic Hybrid (azetidinium)2MnBr4
2022
A new organic–inorganic hybrid, AZEMnBr, has been synthesized and characterized. The thermal differential scanning calorimetry, differential thermal analysis, and thermogravimetric analyses indicate one structural phase transition (PT) at 346 and 349 K, on cooling and heating, respectively. AZEMnBr crystallizes at 365 K in the orthorhombic, Pnma, structure, which transforms to monoclinic P21/n at 200 K. Due to the X-ray diffraction studies, the anionic MnBr42– moiety is discrete. The azetidinium cations show dynamical disorder in the high-temperature phase. In the proposed structural PT, the mechanism is classified as an order–disorder type. The structural changes affect the dielectric resp…
Controlling the Phase Segregation in Mixed Halide Perovskites through Nanocrystal Size
2019
Mixed halide perovskites are one of the promising candidates in developing solar cells and light-emitting diodes (LEDs), among other applications, because of their tunable optical properties. Nonetheless, photoinduced phase segregation, by formation of segregated Br-rich and I-rich domains, limits the overall applicability. We tracked the phase segregation with increasing crystalline size of CsPbBr3–xIx and their photoluminescence under continuous-wave laser irradiation (405 nm, 10 mW cm–2) and observed the occurrence of the phase segregation from the threshold size of 46 ± 7 nm. These results have an outstanding agreement with the diffusion length (45.8 nm) calculated also experimentally f…