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Vanadium dioxide (VO2) has drawn significant attention for its near room temperature insulator to metal transition and associated structural phase transition. The underlying Physics behind the temperature induced insulator to metal and concomitant structural phase transition in VO2 is yet to be fully understood. We have investigated the kinetics of the above phase transition behaviors of VO2 with the help of resistivity measurements and Raman spectroscopy. Resistance thermal hysteresis scaling and relaxation measurements across the temperature induced insulator to metal transition reveal the unusual behaviour of this first-order phase transition, whereas Raman relaxation measurements show that the temperature induced structural phase transition in VO2 follows usual behaviour and is consistent with mean field prediction. At higher temperature sweeping rates decoupling of insulator to metal transition and structural phase transition have been confirmed. The observed anomalous first order phase transition behavior in VO2 is attributed to the unconventional quasi particle dynamics, i.e. significantly lowered electronic thermal conductivity across insulator to metal transition, which is confirmed by ultrafast optical pump-probe time domain thermoreflectance measurements., Comment: 25 pages, 8 figures

Exchange bias (EB) shifts are commonly reported for the ferromagnetic (FM)/antiferromagnetic (AFM) bilayer systems. While stoichiometric ordered Sm$_{2}$NiMnO$_{6}$ (SNMO) and BaTiO$_{3}$ (BTO) are known to possesses FM and diamagnetic orderings respectively, here we have demonstrated the cooling field dependent EB and training effects in epitaxial SNMO/BTO/SNMO (SBS) heterostructure thin films. The polarized Raman spectroscopy and magnetometric studies reveal the presence of anti-site cation disorders in background of ordered lattice in SNMO layers, which introduces Ni-O-Ni or Mn-O-Mn local AFM interactions in long range Ni-O-Mn FM ordered host matrix. We have also presented growth direction manipulation of the degree of cation disorders in the SNMO system. Polarization dependent X-ray absorption measurements, duly combined with configuration interaction simulations suggest charge transfer from Ni/Mn 3\textit{d} to Ti 3\textit{d} orbitals through O 2\textit{p} orbitals across the SNMO/BTO (SB) interfaces, which can induce magnetism in the BTO spacer layer. The observed exchange bias in SBS heterostructures is discussed considering the pinning of moments due to exchange coupling at SB (or BTO/SNMO) sandwich interface., Comment: 11 pages, 3 figures

Biomolecular light-harvesting antennas operate as nanoscale devices in a regime where the coherent interactions of individual light, matter and vibrational quanta are non-perturbatively strong. The complex behaviour arising from this could, if fully understood, be exploited for myriad energy applications. However, non-perturbative dynamics are computationally challenging to simulate, and experiments on biomaterials explore very limited regions of the non-perturbative parameter space. So-called `quantum simulators' of light-harvesting models could provide a solution to this problem, and here we employ the hierarchical equations of motion technique to investigate recent superconducting experiments of Poto{\v{c}}nik $\it{et}$ $\it{al.}$ (Nat. Com. 9, 904 (2018)) used to explore excitonic energy capture. By explicitly including the role of optical driving fields, non-perturbative dephasing noise and the full multi-excitation Hilbert space of a three-qubit quantum circuit, we predict the measureable impact of these factors on transfer efficiency. By analysis of the eigenspectrum of the network, we uncover a structure of energy levels that allows the network to exploit optical `dark' states and excited state absorption for energy transfer. We also confirm that time-resolvable coherent oscillations could be experimentally observed, even under strong, non-additive action of the driving and optical fields.

In many field electron emission experiments on single-walled carbon nanotubes (SWCNTs), the SWCNT stands on one of two well-separated parallel plane plates, with a macroscopic field FM applied between them. For any given location "L" on the SWCNT surface, a field enhancement factor (FEF) is defined as $F_{\rm{L}}$/$F_{\rm{M}}$, where $F_{\rm{L}}$ is a local field defined at "L". The best emission measurements from small-radii capped SWCNTs exhibit characteristic FEFs that are constant (i.e., independent of $F_{\rm{M}}$). This paper discusses how to retrieve this result in quantum-mechanical (as opposed to classical electrostatic) calculations. Density functional theory (DFT) is used to analyze the properties of two short, floating SWCNTS, capped at both ends, namely a (6,6) and a (10,0) structure. Both have effectively the same height ($\sim 5.46$ nm) and radius ($\sim 0.42$ nm). It is found that apex values of local induced FEF are similar for the two SWCNTs, are independent of $F_{\rm{M}}$, and are similar to FEF-values found from classical conductor models. It is suggested that these induced-FEF values relate to the SWCNT longitudinal system polarizabilities, which are presumed similar. The DFT calculations also generate "real", as opposed to ``induced", potential-energy (PE) barriers for the two SWCNTs, for FM-values from 3 V/$\mu$m to 2 V/nm. PE profiles along the SWCNT axis and along a parallel ``observation line" through one of the topmost atoms are similar. At low macroscopic fields the details of barrier shape differ for the two SWCNT types. Even for $F_{\rm{M}}=0$, there are distinct PE structures present at the emitter apex (different for the two SWCNTs); this suggests the presence of structure-specific chemically induced charge transfers and related patch-field distributions.

In this work, we propose a modeling procedure for fMRI data analysis using a Bayesian Matrix-Variate Dynamic Linear Model (MVDLM). With this type of model, less complex than the more traditional temporal-spatial models, we are able to take into account the temporal and -- at least locally -- the spatial structures that are usually present in this type of data. Despite employing a voxel-wise approach, every voxel in the brain is jointly modeled with its nearest neighbors, which are defined through a euclidian metric. MVDLM's have been widely used in applications where the interest lies in to perform predictions and/or analysis of covariance structures among time series. In this context, our interest is rather to assess the dynamic effects which are related to voxel activation. In order to do so, we develop three algorithms to simulate online-trajectories related to the state parameter and with those curves or simulated trajectories we compute a Monte Carlo evidence for voxel activation. Through two practical examples and two different types of assessments, we show that our method can be viewed for the practitioners as a reliable tool for fMRI data analysis. Despite all the examples and analysis are illustrated just for a single subject analysis, we also describe how more general group analysis can be implemented.

Measurements of current-voltage characteristics from ideal carbon nanotube (CNT) field electron emitters of small apex radius have shown that these emitters can exhibit a linear Fowler-Nordheim (FN) plot [e.g., Dean and Chalamala, Appl. Phys. Lett., 76, 375, 2000]. From such a plot, a constant (voltage-independent) characteristic field enhancement factor (FEF) can be deduced. Over fifteen years later, this experimental result has not yet been convincingly retrieved from first-principles electronic structure calculations, or more generally from quantum mechanics (QM). On the contrary, several QM calculations have deduced that the characteristic FEF should be a function of the macroscopic field applied to the CNT. This apparent contradiction between experiment and QM theory has been an unexplained feature of CNT emission science, and has raised doubts about the ability of existing QM models to satisfactorily describe experimental CNT emission behavior. In this work we demonstrate, by means of a density functional theory analysis of single-walled CNTs "floating" in an applied macroscopic field, the following significant result. This is that agreement between experiment, classical-conductor CNT models and QM calculations can be achieved if the latter are used to calculate (from the "real" total-charge-density distributions initially obtained) the distributions of $\textit{induced}$ charge-density, induced local fields and induced local FEFs. The present work confirms, more reliably and in significantly greater detail than in earlier work on a different system, that this finding applies to the common "post-on-a-conducing plane" situation of CNT field electron emission. This finding also brings out various further theoretical questions that need to be explored.

Experimental Fowler-Nordheim plots taken from orthodoxly behaving carbon nanotube (CNT) field electron emitters are known to be linear. This shows that, for such emitters, there exists a characteristic field enhancement factor (FEF) that is constant for a range of applied voltages and applied macroscopic fields $F_\text{M}$. A constant FEF of this kind can be evaluated for classical CNT emitter models by finite-element and other methods, but (apparently contrary to experiment) several past quantum-mechanical (QM) CNT calculations find FEF-values that vary with $F_\text{M}$. A common feature of most such calculations is that they focus only on deriving the CNT real-charge distributions. Here we report on calculations that use density functional theory (DFT) to derive real-charge distributions, and then use these to generate the related induced-charge distributions and related fields and FEFs. We have analysed three carbon nanostructures involving CNT-like nanoprotrusions of various lengths, and have also simulated geometrically equivalent classical emitter models, using finite-element methods. We find that when the DFT-generated local induced FEFs (LIFEFs) are used, the resulting values are effectively independent of macroscopic field, and behave in the same qualitative manner as the classical FEF-values. Further, there is fair to good quantitative agreement between a characteristic FEF determined classically and the equivalent characteristic LIFEF generated via DFT approaches. Although many issues of detail remain to be explored, this appears to be a significant step forwards in linking classical and QM theories of CNT electrostatics. It also shows clearly that, for ideal CNTs, the known experimental constancy of the FEF value for a range of macroscopic fields can also be found in appropriately developed QM theory., Comment: A slightly revised version has been published - citation below - under a title different from that originally used. The new title is: "Restoring observed classical behavior of the carbon nanotube field emission enhancement factor from the electronic structure"

In a system, there are identical replaceable components working for a given task and a failed component is replaced by a functioning one in the corresponding position, which characterizes a repairable system. Assuming that a replaced component lifetime has the same lifetime distribution as the old one, a single component position can be represented by a renewal process and the multiple components positions for a single system form a superposed renewal process. When the interest consists in estimating the component lifetime distribution, there are a considerable amount of works that deal with estimation methods for this kind of problem. However, the information about the exact position of the replaced component is not available, that is, a masked cause of failure. In this work, we propose two methods, a Bayesian and a maximum likelihood function approaches, for estimating the failure time distribution of components in a repairable system with a masked cause of failure. As our proposed estimators consider latent variables, they yield better performance results compared to commonly used estimators from the literature. The proposed models are generic and straightforward for any probability distribution. Aside from point estimates, interval estimates are presented for both approaches. Using several simulations, the performances of the proposed methods are illustrated and their efficiency and applicability are shown based on the so-called cylinder problem.