Starting from an anomalous monomeric system, where particles interact via a two-scale core-softened potential, we investigate how the system properties evolve inasmuch as particles are put together to form polymers whose chain size varies from 4 up to 32 monomers. We observed that the density and diffusion anomaly regions in the pressure versus temperature phase diagram of the monomeric system is smaller in the monomeric system when compared with the polymers. We also found that the polymers do not fold into themselves to form solid spheres instead they tend to maximize the chain-fluid contact. Also, Rouse and Reptation models can be employed to describe the polymers diffusive behaviour. But, in contrast to results of simulations where mere interacts via Lennard-Jones potentials, our results shown a much shorter entanglement length of at most 8 monomers.
The chromism observed in the MEH-PPV polymer in tetrahydrofuran (THF) solution is discussed as a function of the structural morphology of the backbone chains. To evaluate this phenomenon, we carried out simulations employing a hybrid methodology using molecular dynamics and quantum mechanical approaches. Our results support the hypothesis that the morphological order–disorder transition is related to the change from red to blue phase observed experimentally. The morphological disorder is associated with total or partial twisted arrangements in the polymer backbone, which induces an electronic conjugation length more confined to shorter segments. In addition, the main band of the MEH-PPV UV–Vis spectrum at the lower wavelength is related to the blue phase, in contrast to the red phase found for the more planar backbone chains.
We consider the transverse magnetic moment and torque observed by Li et al. (Nat. Phys. 7, 762 (2011)) in the LaAlO3/SrTiO3 interface and the theoretical model for it based on the zero helicity states. The transverse magnetic moment is explained in terms of an asymmetry between the two sides of the interface. We show here that there is an intrinsic magnetization which gives rise to a mass anisotropy in each side of the interface.
Despite the advanced stage of diamond thin-film technology, with applications ranging from superconductivity to biosensing, the realization of a stable and atomically thick two-dimensional diamond material, named here as diamondene, is still forthcoming. Adding to the outstanding properties of its bulk and thin-film counterparts, diamondene is predicted to be a ferromagnetic semiconductor with spin polarized bands. Here, we provide spectroscopic evidence for the formation of diamondene by performing Raman spectroscopy of double-layer graphene under high pressure. The results are explained in terms of a breakdown in the Kohn anomaly associated with the finite size of the remaining graphene sites surrounded by the diamondene matrix. Ab initio calculations and molecular dynamics simulations are employed to clarify the mechanism of diamondene formation, which requires two or more layers of graphene subjected to high pressures in the presence of specific chemical groups such as hydroxyl groups or hydrogens.
Generalized uncertainty principles (GUP) and, independently, Lorentz symmetry violations are two common features in many candidate theories of quantum gravity. Despite that, the overlap between both has received limited attention so far. In this brief paper, we carry out further investigations on this topic. At the nonrelativistic level and in the realm of commutative spacetime coordinates, a large class of both isotropic and anisotropic GUP models is shown to produce signals experimentally indistinguishable from those predicted by the Standard Model Extension (SME), the common framework for studying Lorentz-violating phenomena beyond the Standard Model. This identification is used to constrain GUP models using current limits on SME coefficients. In particular, bounds on isotropic GUP models are improved by a factor of $10^7$ compared to current spectroscopic bounds and anisotropic models are constrained for the first time.
Abstract Research in hybrid and flexible natural fiber-reinforced polymer composites has included advances in innovative and environmentally sustainable devices. However, in practice, controversies still exist regarding the relationship between electrical and materials performance targets in a system design context. This work aimed to investigate the alternating conductivity of a novel pressure sensor based on semiconducting polyaniline (PANI)-coated vegetable fiber (VF, Euterpe oleracea Mart., Acai) in silicone polydimethylsiloxane (PDMS) rubber. We used alternating electrical conductivity measurements, σ*(ω) ∝ ωs (frequency range—ω from 1 Hz to 10 MHz; s 0.6), to adjust the optimal operating frequency region to enhance the pressure sensing performance of the PDMS-PANI-VF composites. A generalized effective-medium approach to the pressure-induced conductivity in terms of loading pressure, percolation regime, and the interpolation between Bruggeman's symmetric and asymmetric media theories was obtained. We have found a solution for inducing percolation in composites with a low concentration of fiber inclusions by uniaxial pressure (P), characterized by the expression σ ∝ (P−P0)t (0 ≤ t ≤ 4.0, 0 ≤ P0 ≤ 250 kPa). The sensor demonstrates maximum sensitivity of 1.5 Pa−1 in the operating electrical frequency from 1 to 100 Hz, and a wide linearity range from 0 to 250 kPa. The result provides new insight into the AC universality, s, and t behaviors of natural fiber-reinforced polymer composites to enhance pressure sensitivity of a new concept and technology for resource-efficiency optimization of sustainable environmental devices.
In this work we apply first principles calculations to investigate the stability trends of mixed boron, nitrogen and carbon diamondol-like compounds. Several distinct geometric models are tested by varying the stoichiometry and position of boron and nitrogen dopants. We verify the special stability of a complete boron nitride compound – the bonitrol –, and we show that carbon substitutions in the bonitrol structure may also lead to stable systems. The electronic characterization of the resulting compounds indicates a rich phenomenology, with metallic, semimetallic, half-metallic and semiconducting behaviors.