arXiv subjects

C. Ortiz

Publications and source records attributed to C. Ortiz.

27 records · Page 2Linked to original sources

arXiv2010

On the feasibility of nanocrystal imaging using intense and ultrashort 1.5 Å X-ray pulses

Structural studies of biological macromolecules are severely limited by radiation damage. Traditional crystallography curbs the effects of damage by spreading damage over many copies of the molecule of interest. X-ray lasers, such as the recently built LINAC Coherent Light Source (LCLS), offer an additional opportunity for limiting damage by out-running damage processes with ultrashort and very intense X-ray pulses. Such pulses may allow the imaging of single molecules, clusters or nanoparticles, but coherent flash imaging will also open up new avenues for structural studies on nano- and micro-crystalline substances. This paper addresses the theoretical potentials and limitations of nanocrystallography with extremely intense coherent X-ray pulses. We use urea nanocrystals as a model for generic biological substances and simulate primary and secondary ionization dynamics in the crystalline sample. Our results establish conditions for ultrafast nanocrystallography diffraction experiments as a function of fluence and pulse duration.

physics.bio-ph↗

arXiv2009

Radiation damage in biological material: electronic properties and electron impact ionization in urea

Radiation damage is an unavoidable process when performing structural investigations of biological macromolecules with X-ray sources. In crystallography this process can be limited through damage distribution in a crystal, while for single molecular imaging it can be outrun by employing short intense pulses. Secondary electron generation is crucial during damage formation and we present a study in urea, as model for biomaterial. From first principles we calculate the band structure and energy loss function, and subsequently the inelastic electron cross section in urea. Using Molecular Dynamics simulations, we quantify the damage and study the magnitude and spatial extent of the electron cloud coming from an incident electron, as well as the dependence with initial energy.

cond-mat.mtrl-sci↗

arXiv2009

Scalar field in the Bianchi I: Non commutative classical and Quantum Cosmology

Using the ADM formalism in the minisuperspace, we obtain the commutative and noncommutative exact classical solutions and exact wave function to the Wheeler-DeWitt equation with an arbitrary factor ordering, for the anisotropic Bianchi type I cosmological model, coupled to a scalar field, cosmological term and barotropic perfect fluid. We introduce noncommutative scale factors, considering that all minisuperspace variables $\rm q^i$ do not commute, so the symplectic structure was modified. In the classical regime, it is shown that the anisotropic parameter $\rm β_{\pm nc}$ and the field $ϕ$, for some value in the $λ_{eff}$ cosmological term and noncommutative $θ$ parameter, present a dynamical isotropization up to a critical cosmic time $t_{c}$; after this time, the effects of isotropization in the noncommutative minisuperspace seems to disappear. In the quantum regimen, the probability density presents a new structure that corresponds to the value of the noncommutativity parameter.

gr-qc↗

arXiv2008

Data mining and accelerated electronic structure theory as a tool in the search for new functional materials

Data mining is a recognized predictive tool in a variety of areas ranging from bioinformatics and drug design to crystal structure prediction. In the present study, an electronic structure implementation has been combined with structural data from the Inorganic Crystal Structure Database to generate results for highly accelerated electronic structure calculations of about 22,000 inorganic compounds. It is shown how data mining algorithms employed on the database can identify new functional materials with desired materials properties, resulting in a prediction of 136 novel materials with potential for use as detector materials for ionizing radiation. The methodology behind the automatized ab-initio approach is presented, results are tabulated and a version of the complete database is made available at the internet web site http://gurka.fysik.uu.se/ESP/ (Ref.1).

cond-mat.mtrl-sci↗

arXiv2007

Non Commutative Bianchi type II Quantum Cosmology

In this paper we present the noncommutative Bianchi Class A cosmological models coupled to barotropic perfect fluid. The commutative and noncommutative quantum solution to the Wheeler-DeWitt equation for any factor ordering, to the anisotropic Bianchi type II cosmological model are found, using a stiff fluid ($γ=1$). In our toy model, we introduce noncommutative scale factors, is say, we consider that all minisuperspace variables $\rm q^i$ does not commute, so the simplectic structure was modified.

gr-qc↗

arXiv2007

(Non)commutative isotropization in Bianchi I with Barotropic perfect fluid and $Λ$ Cosmological

We present the classical solutions to the Einstein field equations derived using the WKB-like and Hamilton procedures. The investigation is carried out in the commutative and noncommutative scenario for the Bianchi type I cosmological model coupled to barotropic perfect fluid and $λ$ Cosmological for two different gauges. Noncommutativity is achieved by modifying the symplectic structure considering that all minisuperspace variables $\rm q^i$ does not commute and by a deformation between all the minisuperspace variables. In the gauge N=1, it is possible to obtain that the anisotropic parameter $\rm β_{\pm nc}$ tend to a constant curvature for large period of time considering different values in the noncommutative parameters $θ$ and cosmological term. However, this behavior give the idea that is necessary introduce other class of matter in the models, for to have a real isotropization in the model, such as dark energy or dark matter.

gr-qc↗

arXiv2004

FRW cosmological model inside an isolated Schwarzschild black hole

Using the canonical quantum theory of spherically symmetric pure gravitational systems, we present a direct correspondence between the Friedmann-Robertson-Walker (FRW) cosmological model in the interior of a Schwarzschild black hole and the nth energy eigenstate of a linear harmonic oscillator. Such type of universe has a quantized mass of the order of the Planck mass and harmonic oscillator wave functions

gr-qc↗

arXiv1999

Positron-neutrino correlations in 32Ar and 33Ar Decays: Probes of Scalar weak currents and nuclear isospin mixing

The positron-neutrino correlation in the 0^+ \to 0^+ βdecay of ^{32}Ar was measured at ISOLDE by analyzing the effect of lepton recoil on the shape of the narrow proton group following the superallowed decay. Our result is consistent with the Standard Model prediction; for vanishing Fierz interference we find a=0.9989 \pm 0.0052 \pm 0.0036. Our result leads to improved constraints on scalar weak interactions. The positron-neutrino correlation in ^{33}Ar decay was measured in the same experiment; for vanishing Fierz interference we find a=0.944 \pm 0.002 \pm 0.003. The ^{32}Ar and ^{33}Ar correlations, in combination with precision measurements of the half-lives, superallowed branching ratios and beta endpoint energies, will determine the isospin impurities of the superallowed transitions. These will provide useful tests of isospin-violation corrections used in deducing |V_{\rm ud}| which currently indicates non-unitarity of the KM matrix.

nucl-ex↗

arXiv1999

Positron-neutrino correlation in the 0^+ \to 0^+ decay of ^{32}Ar

The positron-neutrino correlation in the $0^+ \to 0^+ β$ decay of $^{32}$Ar was measured at ISOLDE by analyzing the effect of lepton recoil on the shape of the narrow proton group following the superallowed decay. Our result is consistent with the Standard Model prediction. For vanishing Fierz interference we find $a=0.9989 \pm 0.0052 \pm 0.0036$, which yields improved constraints on scalar weak interactions.

nucl-ex↗