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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. UCL-TRO-1938 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. UCL-TRO-1938 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. link2 © 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. link2 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. Our results are summarized in terms of a phase diagram. © 2020 IOP Publishing Ltd.We compute the magnetocaloric effect (MCE) in the GdTX (T=Sc, Ti, Co, Fe; X=Si, Ge) compounds as a function of the temperature and the external magnetic field. To this end we use a density functional theory approach to calculate the exchange-coupling interactions between Gd3+ions on each compound. We consider a simplified magnetic Hamiltonian and analyze the dependence of the exchange couplings on the transition metal T, the p-block element X, and the crystal structure (CeFeSi-type or CeScSi-type). The most significant effects are observed for the replacements Ti → Sc or Fe → Co which have an associated change in the parity of the electron number in the 3d level. These replacements lead to an antiferromagnetic contribution to the magnetic couplings that reduces the Curie temperature and can even lead to an antiferromagnetic ground state. We solve the magnetic models through mean field and Monte Carlo calculations and find large variations among compounds in the magnetic transition temperature and in the magnetocaloric effect, in agreement with the available experimental data. The magnetocaloric effect shows a universal behavior as a function of temperature and magnetic field in the ferromagnetic compounds after a scaling of the relevant energy scales by the Curie temperature TC. © 2020 IOP Publishing Ltd.We have investigated the mechanical properties of neutron irradiated Czochralski (NICZ) silicon using nanoindentation combined with micro-Raman spectroscopy. UCL-TRO-1938 It is found that NICZ silicon shows higher hardness (~13% higher) than non-irradiated one, with a slightly lower Young's modulus. link2 When the samples were subjected to isochronal anneals in the temperature range of 250-650 oC, the hardness of NICZ silicon gradually decreases as the temperature increases and it is finally comparable to that of non-irradiated one. The vacancies and vacancy-oxygen defects induced by neutron irradiation in NICZ silicon annihilate or transform into more complex defects during the annealing processes. It suggests that the vacancy defects play a role in the evolution of hardness, which promotes phase transition from the Si-I phase to the stiffer Si-II phase in NICZ silicon during indentation. In addition, the irradiation induced vacancy defects could lead to the lower Young's modulus. © 2020 IOP Publishing Ltd.We consider systems described by a two-dimensional Dirac equation where the Fermi velocity is inhomogeneous as a consequence of mechanical deformations. We show that the mechanical deformations can lead to deflection and focusing of the wave packets. The analogy with known reflectionless quantum systems is pointed out. Furthermore, with the use of the qualitative spectral analysis, we discuss how inhomogeneous strains can be used to create waveguides for valley polarized transport of partially dispersionless wave packets. © 2020 IOP Publishing Ltd.Delivery times of intensity-modulated proton therapy (IMPT) can be shortened by reducing the number of spots in the treatment plan, but this may affect clinical plan delivery. Here, we assess the experimental deliverability, accuracy and time reduction of spot-reduced treatment planning for a clinical case, as well as its robustness. For a single head-and-neck cancer patient, a spot-reduced plan was generated and compared with the conventional clinical plan. The number of proton spots was reduced using the iterative 'pencil beam resampling' technique. This involves repeated inverse optimization, while adding in each iteration a small sample of randomly selected spots and subsequently excluding low-weighted spots until plan quality deteriorates. Field setup was identical for both plans and comparable dosimetric quality was a prerequisite. Both IMPT plans were delivered on PSI Gantry 2 and measured in water, while delivery log-files were used to extract delivery times and reconstruct the delivered dose via Mont, and without substantially affecting robustness. © 2020 Institute of Physics and Engineering in Medicine.We present a methodology to predict magnetic systems usingab initiomethods. By employing crystal structure method and spin-polarized calculations, we explore the relation between crystalline structures and their magnetic properties. link3 In this work, testbed cases of transition metal alloys (FeCr, FeMn, FeCo and FeNi) are study in the ferromagnetic case. We find soft-magnetic properties for FeCr, FeMn while for FeCo and FeNi hard-magnetic are predicted. link3 In particular, for the family of FeNi, a candidate structure with energy lower than the tetrataenite was found. The structure has a saturation magnetization (Ms) of 1.2 M A/m, magnetic anisotropy energy (MAE) above 1200 k J/m 3 and hardness value close to 1. Theoretically, this system made of abundant elements could be the right candidate for permanent magnet applications. Comparing it with the state-of-the-art (Nd2Fe14B) hard-magnet, (Msof 1.28 M A/m and MAE of 4900 k J/m 3 ) is appealing to explore this low energy polymorph of FeNi further. Considering the relatively limited number of magnets, predicting a new system may open routes for free rare-earth magnets. Furthermore, the use of the computational algorithm as the one presented in this work, hold promises in this field for which in near future improvements will allow to study numerous complex systems, more large simulations cells and tackled long-range antiferromagnetic cases. © 2020 IOP Publishing Ltd.Optimization and performance enhancement of low-cost and solution-processed InGaZnO (IGZO) resistance random access memory (ReRAM) device was demonstrated on the basis of manipulation of global and local oxygen vacancy (Vo) stoichiometry in metal oxide thin films. Controlled overall Ga composition within IGZO thin film reduced the excessive formation of oxygen vacancy for reproducible resistance switching mechanism. link3 Furthermore, local sophisticated control of stoichiometric Vousing 5 nm Ni layer at the interface of IGZO layer consequently serves as an oxygen capturing layer by forming NiOx, consequently facilitating the formation of conductive filaments and also preventing the abrupt degradation of device performance. Additionally, reducing the cell dimension of IGZO-based ReRAMs using a cross-bar electrode structure appeared to drastically improve their performances such as the operation voltage and resistance distribution due to suppression of excessive conductive filament formation. Optimized ReRAM devices exhibit a stable unipolar resistive switching behavior with an endurance >200 cycles, retention time for 104sec at 85 °C and on/off ratio higher than about 102.
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