The rapid detection of SARS-CoV-2, the pathogen of the Covid-19 pandemic, is obviously of great importance for stopping the spread of the virus by detecting infected individuals. Here, we report the ab initio analysis results of graphene nanoribbon (GNR) and carbon nanotube (CNT) based SARS-CoV-2 detection sensors which are experimentally demonstrated in the literature. The investigated structures are the realistic molecular models of the sensors that are employing 1-pyrenebutyric acid -hydroxysuccinimide ester as the antibody linker. Density functional theory in conjunction with non-equilibrium Green's function formalism (DFT-NEGF) is used to obtain the transmission spectra, current-voltage and resistance-voltage characteristics of the sensors before and after the attachment of the SARS-CoV-2 spike protein. The operation mechanism of the GNR and CNT based SARS-CoV-2 sensors are exposed using the transmission spectrum analysis. Moreover, it is observed that GNR based sensor has more definitive detection characteristics compared to its CNT based counterpart.

The current world observations in COVID-19 are hardly tractable as a whole, making situations of information to be incompleteness. In pandemic era, mathematical modeling helps epidemiological scientists to take informing decisions about pandemic planning and predict the disease behavior in the future. In this work, we proposed a non-extensive entropy-based model on the thermodynamic approach for predicting the dynamics of COVID-19 disease. To do so, the epidemic details were considered into a single and time-dependent coefficients model. Their four constraints, including the existence of a maximum point were determined analytically. The model was worked out to give a log-normal distribution for the spread rate using the Tsallis entropy. The width of the distribution function was characterized by maximizing the rate of entropy production. The model predicted the number of daily cases and daily deaths with a fairly good agreement with the World Health Organization (WHO) reported data for world-wide, Iran and China over 2019-2020-time span. The proposed model in this work can be further calibrated to fit on different complex distribution COVID-19 data over different range of times.

Free-volume type defects, such as vacancies, vacancy-agglomerates, dislocations, and grain boundaries represent a key parameter in the properties of ultrafine-grained and nanocrystalline materials. Such free-volume type defects are introduced in high excess concentration during the processes of structural refinement by severe plastic deformation. The direct method of time-differential dilatometry is applied in the present work to determine the total amount and the kinetics of free volume by measuring the irreversible length change upon annealing of bulk nanocrystalline metals (Fe, Cu, Ni) prepared by high-pressure torsion (HPT). In the case of HPT-deformed Ni and Cu, distinct substages of the length change upon linear heating occur due to the loss of grain boundaries in the wake of crystallite growth. The data on dilatometric length change can be directly related to the fast annealing of free-volume type defects studied by Doppler broadening measurements performed at the high-intensity positron beam of the FRM II (Garching, Munich, Germany).

We report on new developments in the quantum picture of correlated electron transport in charge and spin density waves. The model treats the condensate as a quantum fluid in which charge soliton domain wall pairs nucleate above a Coulomb blockade threshold field. We employ a time-correlated soliton tunneling model, analogous to the theory of time-correlated single electron tunneling, to interpret the voltage oscillations and nonlinear current-voltage characteristics above threshold. An inverse scaling relationship between threshold field and dielectric response, originally proposed by Grüner, emerges naturally from the model. Flat dielectric and other ac responses below threshold in NbSe(3) and TaS(3), as well as small density wave phase displacements, indicate that the measured threshold is often much smaller than the classical depinning field. In some materials, the existence of two distinct threshold fields suggests that both soliton nucleation and classical depinning may occur. In our model, the ratio of electrostatic charging to pinning energy helps determine whether soliton nucleation or classical depinning dominates.

The structural, electronic and vibrational properties of InN under pressures up to 20 GPa have been investigated using the pseudo-potential plane wave method (PP-PW). The generalized-gradient approximation (GGA) in the frame of density functional theory (DFT) approach has been adopted. It is found that the transition from wurtzite (B4) to rocksalt (B1) phase occurs at a pressure of approximately 12.7 GPa. In addition, a change from a direct to an indirect band gap is observed. The mechanism of these changes is discussed. The phonon frequencies and densities of states (DOS) are derived using the linear response approach and density functional perturbation theory (DFPT). The properties of phonons are described by the harmonic approximation method. Our results show that phonons play an important role in the mechanism of phase transition and in the instability of B4 (wurtzite) just before the pressure of transition. At zero pressure our data agree well with recently reported experimental results.

Entanglement between degrees of freedom, namely between the spin, path and (total) energy degrees of freedom, for single neutrons is exploited. We implemented a triply entangled Greenberger-Horne-Zeilinger(GHZ)-like state and coherently manipulated relative phases of two-level quantum subsystems. An inequality derived by Mermin was applied to analyze the generated GHZ-like state: we determined the four expectation values and finally obtained [Formula: see text]. This demonstrates the violation of a Mermin-like inequality for triply entangled GHZ-like state in a single-particle system, which, in turn, exhibits a clear inconsistency between noncontextual assumptions and quantum mechanics and confirms quantum contextuality.

We report on an anomalous X-ray reflectivity study to locate a labelled residue of a membrane protein with respect to the lipid bilayer. From such experiments, important constraints on the protein or peptide conformation can be derived. Specifically, our aim is to localize an iodine-labelled phenylalanine in the SARS E protein, incorporated in DMPC phospholipid bilayers, which are deposited in the form of thick multilamellar stacks on silicon surfaces. Here, we discuss the experimental aspects and the difficulties associated with the Fourier synthesis analysis that gives the electron density profile of the membranes.

Micromagnetic simulations are an important tool for the investigation of magnetic materials. Micromagnetic software uses various techniques to solve differential equations, partial or ordinary, involved in the dynamic simulations. Euler, Runge-Kutta, Adams, and BDF (Backward Differentiation Formulae) are some of the methods used for this purpose. In this paper, spinvalve simulations are investigated. Evidence is presented showing that these systems have stiff modes, and that implicit methods such as BDF are more effective than explicit methods in such cases.

A mathematical approach is introduced for predicting quantized resistances in graphene junction devices that utilize more than a single entry and exit point for electron flow. Depending on the configuration of an arbitrary number of terminals, electrical measurements yield nonconventional, fractional multiples of the typical quantized Hall resistance at the = 2 plateau ( ≈ 12906 Ω) and take the form: . This theoretical formulation is independent of material, and applications to other material systems that exhibit quantum Hall behaviors are to be expected. Furthermore, this formulation is supported with experimental data from graphene devices with multiple source and drain terminals.