A nonzero gap two-dimensional carbon allotrope from porous graphene

Graphene has been one of the hottest topics in materials science in the last years. Because of its special electronic properties graphene is considered one of the most promising materials for future electronics. However, in its pristine form graphene is a gapless semiconductor, which poses some limitations to its use in some transistor electronics. Many approaches have been tried to create, in a controlled way, a gap in graphene. These approaches have obtained limited successes. Recently, hydrogenated graphene-like structures, the so-called porous graphene, have been synthesized. In this work we show, based on ab initio quantum molecular dynamics calculations, that porous graphene dehydrogenation can lead to a spontaneous formation of a nonzero gap two-dimensional carbon allotrope, called biphenylene carbon (BC). Besides exhibiting an intrinsic nonzero gap value, BC also presents well delocalized frontier orbitals, suggestive of a structure with high electronic mobility. Possible synthetic routes to obtain BC from porous graphene are addressed. © 2012 Materials Research Society.

Determination of disease biomarkers in Eucalyptus by comprehensive two-dimensional gas chromatography and multivariate data analysis

In this paper is reported the use of the chromatographic profiles of volatiles to determine disease markers in plants - in this case, leaves of Eucalyptus globulus contaminated by the necrotroph fungus Teratosphaeria nubilosa. The volatile fraction was isolated by headspace solid phase microextraction (HS-SPME) and analyzed by comprehensive two-dimensional gas chromatography-fast quadrupole mass spectrometry (GC. ×. GC-qMS). For the correlation between the metabolic profile described by the chromatograms and the presence of the infection, unfolded-partial least squares discriminant analysis (U-PLS-DA) with orthogonal signal correction (OSC) were employed. The proposed method was checked to be independent of factors such as the age of the harvested plants. The manipulation of the mathematical model obtained also resulted in graphic representations similar to real chromatograms, which allowed the tentative identification of more than 40 compounds potentially useful as disease biomarkers for this plant/pathogen pair. The proposed methodology can be considered as highly reliable, since the diagnosis is based on the whole chromatographic profile rather than in the detection of a single analyte. © 2013 Elsevier B.V..

Critical currents and melting temperature of a two-dimensional vortex lattice with periodic pinning

The critical current and melting temperature of a vortex system are analyzed. Calculations are made for a two-dimensional film at finite temperature with two kinds of periodic pinning: hexagonal and Kagomé. A transport current parallel and perpendicular to the main axis of the pinning arrays is applied and molecular dynamics simulations are used to calculate the vortex velocities to obtain the critical currents. The structure factor and displacements of vortices at zero transport current are used to obtain the melting temperature for both pinning arrays. The critical currents are higher for the hexagonal pinning lattice and anisotropic for both pinning arrays. This anisotropy is stronger with temperature for the hexagonal array. For the Kagomé pinning lattice, our analysis shows a multi stage phase melting; that is, as we increase the temperature, each different dynamic phase melts before reaching the melting temperature. Both the melting temperature and critical currents are larger for the hexagonal lattice, indicating the role for the interstitial vortices in decreasing the pinning strength. © 2012 Springer Science+Business Media New York.

Scaling invariance of the diffusion coefficient in a family of two-dimensional Hamiltonian mappings

We consider a family of two-dimensional nonlinear area-preserving mappings that generalize the Chirikov standard map and model a variety of periodically forced systems. The action variable diffuses in increments whose phase is controlled by a negative power of the action and hence effectively uncorrelated for small actions, leading to a chaotic sea in phase space. For larger values of the action the phase space is mixed and contains a family of elliptic islands centered on periodic orbits and invariant Kolmogorov-Arnold-Moser (KAM) curves. The transport of particles along the phase space is considered by starting an ensemble of particles with a very low action and letting them evolve in the phase until they reach a certain height h. For chaotic orbits below the periodic islands, the survival probability for the particles to reach h is characterized by an exponential function, well modeled by the solution of the diffusion equation. On the other hand, when h reaches the position of periodic islands, the diffusion slows markedly. We show that the diffusion coefficient is scaling invariant with respect to the control parameter of the mapping when h reaches the position of the lowest KAM island. © 2013 American Physical Society.

Two-dimensional nonlinear map characterized by tunable Levy flights

Fundação de Amparo à Pesquisa do Estado de São Paulo (FAPESP)

Two-dimensional models in quantum field theory: Reduction to the free-particle case

We demonstrate that the generating functionals for two-dimensional models with two real scalar fields, one interacting with an external electromagnetic field and the other with coupling terms but without external fields, can be reduced to the case of the free-particle propagator when quasistatic solutions for this theory are used. © 1991 The American Physical Society.

A new approach to the electronic structure of two dimensional disordered alloys

We propose a novel method to calculate the electronic Density of States (DOS) of a two dimensional disordered binary alloy. The method is highly reliable and numerically efficient, and Short Range Order (SRO) correlations can be included with no extra computational cost. The approach devised rests on one dimensional calculations and is applied to very long stripes of finite width, the bulk regime being achieved with a relatively small number of chains in the disordered case. Our approach is exact for the pure case and predicts the correct DOS structure in important limits, such as the segregated, random, and ordered alloy regimes. We also suggest important extensions of the present work. © 1995.

Higher algebras and mesonic spectrum in two-dimensional QCD

We construct composite operators in two-dimensional bosonized QCD, which obey a W∞ algebra, and discuss their relation to analogous objects recently obtained in the fermionic language. A complex algebraic structure is unravelled, supporting the idea that the model is integrable. For singlets we find a mass spectrum obeying the Regge behavior.

Effects of a mixed vector-scalar kink-like potential for spinless particles in two-dimensional space time

The intrinsically relativistic problem of spinless particles subject to a general mixing of vector and scalar kink- like potentials (similar to tanh gamma x) is investigated. The problem is mapped into the exactly solvable Sturm - Liouville problem with the Rosen - Morse potential and exact bounded solutions for particles and antiparticles are found. The behavior of the spectrum is discussed in some detail. An apparent paradox concerning the uncertainty principle is solved by recurring to the concept of effective Compton wavelength.

Generating unconstrained two-dimensional non-guillotine cutting patterns by a Recursive Partitioning Algorithm

In this study, a dynamic programming approach to deal with the unconstrained two-dimensional non-guillotine cutting problem is presented. The method extends the recently introduced recursive partitioning approach for the manufacturer's pallet loading problem. The approach involves two phases and uses bounds based on unconstrained two-staged and non-staged guillotine cutting. The method is able to find the optimal cutting pattern of a large number of pro blem instances of moderate sizes known in the literature and a counterexample for which the approach fails to find known optimal solutions was not found. For the instances that the required computer runtime is excessive, the approach is combined with simple heuristics to reduce its running time. Detailed numerical experiments show the reliability of the method. Journal of the Operational Research Society (2012) 63, 183-200. doi: 10.1057/jors.2011.6 Published online 17 August 2011

All-loop finiteness of the two-dimensional noncommutative supersymmetric gauge theory

Within the superfield approach, we discuss the two-dimensional noncommutative super-QED. Its all-order finiteness is explicitly shown. Copyright (C) EPLA, 2012

Biometry and fetal weight estimation by two-dimensional and three-dimensional ultrasonography: an intraobserver and interobserver reliability and agreement study

Objective To evaluate and compare the intraobserver and interobserver reliability and agreement for the biparietal diameter (BPD), abdominal circumference (AC), femur length (FL) and estimated fetal weight (EFW) obtained by two-dimensional ultrasound (2D-US) and three-dimensional ultrasound (3D-US). Methods Singleton pregnant women between 24 and 40 weeks were invited to participate in this study. They were examined using 2D-US in a blinded manner, twice by one observer, intercalated by a scan by a second observer, to determine BPD, AC and FL. In each of the three examinations, three 3D-US datasets (head, abdomen and thigh) were acquired for measurements of the same parameters. We determined EFW using Hadlock's formula. Systematic errors between 3D-US and 2D-US were examined using the paired t-test. Reliability and agreement were assessed by intraclass correlation coefficients (ICCs), limits of agreement (LoA), SD of differences and proportion of differences below arbitrary points. Results We evaluated 102 singleton pregnancies. No significant systematic error between 2D-US and 3D-US was observed. The ICC values were higher for 3D-US in both intra- and interobserver evaluations; however, only for FL was there no overlap in the 95% CI. The LoA values were wider for 2D-US, suggesting that random errors were smaller when using 3D-US. Additionally, we observed that the SD values determined from 3D-US differences were smaller than those obtained for 2D-US. Higher proportions of differences were below the arbitrarily defined cut-off points when using 3D-US. Conclusion 3D-US improved the reliability and agreement of fetal measurements and EFW compared with 2D-US.

Computer simulations of two-dimensional colloidal crystals in confinement

Monte Carlo simulations are used to study the effect of confinement on a crystal of point particles interacting with an inverse power law potential in d=2 dimensions. This system can describe colloidal particles at the air-water interface, a model system for experimental study of two-dimensional melting. It is shown that the state of the system (a strip of width D) depends very sensitively on the precise boundary conditions at the two ``walls'' providing the confinement. If one uses a corrugated boundary commensurate with the order of the bulk triangular crystalline structure, both orientational order and positional order is enhanced, and such surface-induced order persists near the boundaries also at temperatures where the system in the bulk is in its fluid state. However, using smooth repulsive boundaries as walls providing the confinement, only the orientational order is enhanced, but positional (quasi-) long range order is destroyed: The mean-square displacement of two particles n lattice parameters apart in the y-direction along the walls then crosses over from the logarithmic increase (characteristic for $d=2$) to a linear increase (characteristic for d=1). The strip then exhibits a vanishing shear modulus. These results are interpreted in terms of a phenomenological harmonic theory. Also the effect of incommensurability of the strip width D with the triangular lattice structure is discussed, and a comparison with surface effects on phase transitions in simple Ising- and XY-models is made

Two-dimensional relaxation-diffusion analysis to study water compartmentalization in cells by a single-sided NMR device

In questo lavoro di tesi è presentato un metodo per lo studio della compartimentalizzazione dell’acqua in cellule biologiche, mediante lo studio dell’autodiffusione delle molecole d’acqua tramite uno strumento NMR single-sided. Le misure sono state eseguite nel laboratorio NMR all’interno del DIFA di Bologna. Sono stati misurati i coefficienti di autodiffusione di tre campioni in condizione bulk, ottenendo risultati consistenti con la letteratura. È stato poi analizzato un sistema cellulare modello, Saccharomyces cerevisiae, allo stato solido, ottimizzando le procedure per l’ottenimento di mappe di correlazione 2D, aventi come assi il coefficiente di autodiffusione D e il tempo di rilassamento trasversale T2. In questo sistema l’acqua è confinata e l’autodiffusione è ristretta dalle pareti cellulari, si parla quindi di coefficiente di autodiffusione apparente, Dapp. Mediante le mappe sono state individuate due famiglie di nuclei 1H. Il campione è stato poi analizzato in diluizione in acqua distillata, confermando la separazione del segnale in due distinte famiglie. L’utilizzo di un composto chelato, il CuEDTA, ha permesso di affermare che la famiglia con il Dapp maggiore corrisponde all’acqua esterna alle cellule. L’analisi dei dati ottenuti sulle due famiglie al variare del tempo lasciato alle molecole d’acqua per la diffusione hanno portato alla stima del raggio dei due compartimenti: r=2.3±0.2µm per l’acqua extracellulare, r=0.9±0.1µm per quella intracellulare, che è probabilmente acqua scambiata tra gli organelli e il citoplasma. L’incertezza associata a tali stime tiene conto soltanto dell’errore nel calcolo dei parametri liberi del fit dei dati, è pertanto una sottostima, dovuta alle approssimazioni connesse all’utilizzo di equazioni valide per un sistema poroso costituito da pori sferici connessi non permeabili. Gli ordini di grandezza dei raggi calcolati sono invece consistenti con quelli osservabili dalle immagini ottenute con il microscopio ottico.

Two-dimensional linear-combination model fitting of magnetic resonance spectra to define the macromolecule baseline using FiTAID, a Fitting Tool for Arrays of Interrelated Datasets

To propose the determination of the macromolecular baseline (MMBL) in clinical 1H MR spectra based on T(1) and T(2) differentiation using 2D fitting in FiTAID, a general Fitting Tool for Arrays of Interrelated Datasets.