Utilizing the linear combination of atomic orbitals in the Slater-Koster approach in combination with the density functional theory band structure data, a new tight-binding Hamiltonian up to the third nearest neighbours for the dimerized trans polyacetylene is proposed. Effects of strain is also considered in Hamiltonian by varying the distance between two successive CH groups along the molecular symmetry axis. Using this new Hamiltonian and exploiting the Green's function method in the framework of the Landauer-Büttiker formalism, the electronic transport properties in a trans polyacetylene chain in the presence and absence of strain are studied. It is shown that at a peculiar value of compression strain, the electron conductance shifts 0.27eV in energy which is an exploitable magnitude for straintronic applications of trans polyacetylene specially as strain sensors and strain switches. © 2020 IOP Publishing Ltd.Three-dimensional (3D) bioprinting of soft large-scale tissues in vitro is still a big challenge due to two limitations, i) the lack of an effective way to print fine nutrient delivery channels (NDCs) inside the cell-laden structures above the mm level; ii) the need for a feasible strategy to vascularize NDCs. Here, a novel 3D bioprinting method is reported to directly print cell-laden structures with effectively vascularized NDCs. Bioinks with desired tissue cells and endothelial cells (ECs) are separately and simultaneously printed from the outside (mixed with GelMA) and inside (mixed with gelatin) of a coaxial nozzle. As a result, the printed large-scale tissue consists of sheath-core fibers. At the same time, when the core fibers are dissolved to generate channels, the ECs deposit and adhere to the channels automatically. With this method, 3D cell-laden, vascularized tissue constructs (≥1 cm) with a long-term culture (≥20 days) are firstly reported. Specifically, vascularized cancer tissue constructs and osteogenic tissue constructs were generated. Considering the above advantages, this advanced bioprinting strategy has significant potential for building large-scale vascularized tissue constructs for applications in tissue engineering, and possibly even in regenerative medicine and organ repair. © 2020 IOP Publishing Ltd.It is noteworthy that chemical substitution of BaFe2As2 (122) with the noble elements Cu and Au gives superconductivity with a maximum Tc = 3 K, while Ag substitution (Ag-122) stays antiferromagnetic. https://www.selleckchem.com/products/ABT-263.html For Ba(Fe1-xTMx)2As2, TM= Cu, Au, or Ag, and by doping an amount of x=0.04, a-lattice parameter slightly increases (0.4%) for all TM dopants, while c-lattice decreases (-0.2%) for TM=Cu, barely moves (0.05%) for Au, and increases (0.2%) for Ag. Despite the naive expectation that the noble elements of group 11 should affect the quantum properties of 122 similarly, they produce significant differences extending to the character of the ground state. For the Ag-122 crystal, evidence of only a filamentary superconductivity is noted with pressure. However, for Au and Cu doping (x0.03) we find a substantial improvement in the superconductivity, with Tc increasing to 7 K and 7.5 K, respectively, under 20 kbar of pressure. As with the ambient pressure results, the identity of the dopant therefore has a substantial impact on the ground state properties. Density functional theory calculations corroborate these results and find evidence of strong electronic scattering for Au and Ag dopants, while Cu is comparatively less disruptive to the 122 electronic structure. © 2020 IOP Publishing Ltd.In this work, we present a thorough study of the thermoelectric properties of silicene nanoribbons in the presence of a random distribution of atomic vacancies. By using a linear approach within the Landauer formalism, we calculate phonon and electron thermal conductances, the electric conductance, the Seebeck coefficient and the figure of merit of the nanoribbons. We found a sizable reduction of the phonon thermal conductance as a function of the vacancy concentration over a wide range of temperature. At the same time, the electric properties are not severely deteriorated, leading to an overall remarkable thermoelectric efficiency. We conclude that the incorporation of vacancies paves the way to designing better and more efficient nanoscale thermoelectric devices. © 2020 IOP Publishing Ltd.In view of the recent experimental predictions of a weak structural transition in CoV$_2$O$_4$ we explore the possible orbital order states in its low temperature tetragonal phases from first principles density functional theory calculations. We observe that the tetragonal phase with I4$_1/amd$ symmetry is associated with an orbital order involving complex orbitals with a reasonably large orbital moment at Vanadium sites while in the phase with I4$_1/a$ symmetry, the real orbitals with quenched orbital moment constitute the orbital order. Further, to study the competition between orbital order and electron itinerancy we considered Mn$_0.5$Co$_0.5$V$_2$O$_4$ as one of the parent compounds, CoV$_2$O$_4$, lies near itinerant limit while the other, MnV$_2$O$_4$, lies deep inside the orbitally ordered insulating regime. Orbital order and electron transport have been investigated using first principles density functional theory and Boltzmann transport theory in CoV$_2$O$_4$, MnV$_2$O$_4$ and Mn$_0.5$Co$_0.5$V$_2$O$_4$. Our results show that as we go from MnV$_2$O$_4$ to CoV$_2$O$_4$ there is enhancement in the electron's itinerancy while the nature of orbital order remains unchanged. © 2020 IOP Publishing Ltd.In this work, we report results of extensive computer simulations regarding the phase behavior of a core-softened system. By using structural and thermodynamic descriptors, as well as self-diffusion coefficients, we provide a comprehensive view of the rich phase behavior displayed by the particular instance of the model studied in here. Our calculations agree with previously published results focused on a smaller region in the temperature-density parameter space [Dudalov et al. Soft Matter \textbf10, 4966 (2014)]. In this work, we explore a broader region in this parameter space, and uncover interesting fluid phases with low-symmetry local order, that were not reported by previous works. Solid phases were also found, and have been previously characterized in detail by Kryuchkov et al. [Soft Matter \textbf14, 2152 (2018)]. Our results support previously reported findings, and provide new physical insights regarding the emergence of order as disordered phases transform into solids by providing radial distribution function maps and specific heat data.