arXiv subjects

A. Aguilar

Publications and source records attributed to A. Aguilar.

16 recordsLinked to original sources

arXiv2024

Forming 1D Periodic J-aggregates by Mechanical Bending of BNNTs: Evidence of Activated Molecular Diffusion

Driving molecular assembly into micrometer-scale patterns is key for defining advanced materials of interest in various fields, including life sciences, photovoltaics, and quantum photonics. However, the driving process competes with other forces, such as Brownian motion, ripening phenomena, capillary forces, and non-specific adsorption. Here we report on a guided diffusion mechanism of luminescent dye molecules encapsulated inside boron nitride nanotubes (BNNTs). Correlative measurements between BNNT bending and molecular position along the BNNT axis reveal an efficient and long-range migration of dyes from curved to straight regions of the nanotube. This curvature activated diffusion forms clusters of bright J-aggregates in periodic patterns of well-defined spacing and length. A phenomenological model of guided molecular transport in bended BNNTs is used to describe this directed 1D diffusion inside BNNT. It is shown to accurately predict the position and morphologies of a J-aggregate as a function of nanotube length. Coupling topological stimuli to 1D molecular diffusion at the nanoscale is here presented as an interesting tool capable of reconfiguring various emissive patterns of functional molecules at the mesoscopic scale.

cond-mat.mes-hall↗

arXiv2021

High contrast dual-mode optical and 13C magnetic resonance imaging in diamond particles

Multichannel imaging -- the ability to acquire images of an object through more than one imaging mode simultaneously -- has opened interesting new perspectives in areas ranging from astronomy to medicine. Visible optics and magnetic resonance imaging (MRI) offer complementary advantages of resolution, speed and depth of penetration, and as such would be attractive in combination. In this paper, we take first steps towards marrying together optical and MR imaging in a class of biocompatible particulate materials constructed out of diamond. The particles are endowed with a high density of quantum defects (Nitrogen Vacancy centers) that under optical excitation fluoresce brightly in the visible, but also concurrently electron spin polarize. This allows the hyperpolarization of lattice 13C nuclei to make the particles over three-orders of magnitude brighter than in conventional MRI. Dual-mode optical and MR imaging permits immediate access to improvements in resolution and signal-to-noise especially in scattering environments. We highlight additional benefits in background-free imaging, demonstrating lock-in suppression by factors of 2 and 5 in optical and MR domains respectively. Ultimate limits could approach as much as two orders of magnitude in each domain. Finally, leveraging the ability of optical and MR imaging to simultaneously probe Fourier-reciprocal domains (real and k-space), we elucidate the ability to employ hybrid sub-sampling in both conjugate spaces to vastly accelerate dual-image acquisition, by as much as two orders of magnitude in practically relevant sparse-imaging scenarios. This is accompanied by a reduction in optical power by the same factor. Our work suggests interesting possibilities for the simultaneous optical and low-field MR imaging of targeted diamond nanoparticles.

physics.ins-det↗

arXiv2019

High temperature annealing enhanced diamond 13C hyperpolarization at room temperature

Methods of optical dynamic nuclear polarization (DNP) open the door to the replenishable hyperpolarization of nuclear spins, boosting their NMR/MRI signature by orders of magnitude. Nanodiamond powder rich in negatively charged Nitrogen Vacancy (NV) defect centers has recently emerged as one such promising platform, wherein 13C nuclei can be hyperpolarized through the optically pumped defects completely at room temperature and at low magnetic fields. Given the compelling possibility of relaying this 13C polarization to nuclei in external liquids, there is an urgent need for the engineered production of highly "hyperpolarizable" diamond particles. In this paper, we report on a systematic study of various material dimensions affecting optical 13C hyperpolarization in diamond particles -- especially electron irradiation and annealing conditions that drive NV center formation. We discover surprisingly that diamond annealing at elevated temperatures close to 1720C have remarkable effects on the hyperpolarization levels, enhancing them by upto 36-fold over materials annealed through conventional means. We unravel the intriguing material origins of these gains, and demonstrate they arise from a simultaneous improvement in NV electron relaxation time and coherence time, as well as the reduction of paramagnetic content, and an increase in 13C relaxation lifetimes. Overall this points to significant recovery of the diamond lattice from radiation damage as a result of the high-temperature annealing. Our work suggests methods for the guided materials production of fluorescent, 13C hyperpolarized, nanodiamonds and pathways for their use as multi-modal (optical and MRI) imaging and hyperpolarization agents.

physics.app-ph↗

arXiv2013

Delayed Ultrafast X-ray Auger Probing (DUXAP) of Nucleobase Ultraviolet Photoprotection

We present a new method for ultrafast spectroscopy of molecular photoexcited dynamics. The technique uses a pair of femtosecond pulses: a photoexcitation pulse initiating excited state dynamics followed by a soft x-ray (SXR) probe pulse that core ionizes certain atoms inside the molecule. We observe the Auger decay of the core hole as a function of delay between the photoexcitation and SXR pulses. The core hole decay is particularly sensitive to the local valence electrons near the core and shows new types of propensity rules, compared to dipole selection rules in SXR absorption or emission spectroscopy. We apply the delayed ultrafast x-ray Auger probing (DUXAP) method to the specific problem of nucleobase photoprotection to demonstrate its potential. The ultraviolet photoexcited ππ* states of nucleobases are prone to chemical reactions with neighboring bases. To avoid this, the single molecules funnel the ππ* population to lower lying electronic states on an ultrafast timescale under violation of the Born-Oppenheimer approximation. The new type of propensity rule, which is confirmed by Auger decay simulations, allows us to have increased sensitivity on the direct relaxation from the ππ* state to the vibrationally hot electronic ground state. For the nucleobase thymine, we measure a decay constant of 300 fs in agreement with previous quantum chemical simulations.

physics.chem-ph↗

arXiv2012

Valence-shell single photoionization of Kr$^{+}$ ions: Experiment and Theory

Photoionization of Kr$^+$ ions was studied in the energy range from 23.3 eV to 39.0 eV at a photon energy resolution of 7.5 meV. Absolute measurements were performed by merging beams of Kr$^+$ ions and of monochromatized synchrotron undulator radiation. Photoionization (PI) of this Br-like ion is characterized by multiple Rydberg series of autoionizing resonances superimposed on a direct photoionization continuum. Resonance features observed in the experimental spectra are spectroscopically assigned and their energies and quantum defects tabulated. The high-resolution cross-section measurements are benchmarked against state-of-the-art theoretical cross-section calculations from the Dirac-Coulomb R-matrix method.

physics.atom-ph↗

arXiv2012

K-shell photoionization of ground-state Li-like carbon ions [C$^{3+}$]: experiment, theory and comparison with time-reversed photorecombination

Absolute cross sections for the K-shell photoionization of ground-state Li-like carbon [C$^{3+}$(1s$^2$2s $^2$S)] ions were measured by employing the ion-photon merged-beams technique at the Advanced Light Source. The energy ranges 299.8--300.15 eV, 303.29--303.58 eV and 335.61--337.57 eV of the [1s(2s2p)$^3$P]$^2$P, [1s(2s2p)$^1$P]$^2$P and [(1s2s)$^3$S 3p]$^2$P resonances, respectively, were investigated using resolving powers of up to 6000. The autoionization linewidth of the [1s(2s2p)$^1$P]$^2$P resonance was measured to be $27 \pm 5$ meV and compares favourably with a theoretical result of 26 meV obtained from the intermediate coupling R-Matrix method. The present photoionization cross section results are compared with the outcome from photorecombination measurements by employing the principle of detailed balance.

astro-ph.EP↗

arXiv2012

K-shell photoionization of ground-state Li-like boron ions [B$^{2+}$]: Experiment and Theory

Absolute cross sections for the K-shell photoionization of ground-state Li-like boron [B$^{2+}$(1s$^2$2s $^2$S)] ions were measured by employing the ion-photon merged-beams technique at the Advanced Light Source synchrotron radiation facility. The energy ranges 197.5--200.5 eV, 201.9--202.1 eV of the [1s(2s\,2p)$^3$P]$^2$P${\rm ^o}$ and [1s(2s\,2p)$^1$P] $^2$P${\rm ^o}$ resonances, respectively, were investigated using resolving powers of up to 17\,600. The energy range of the experiments was extended to about 238.2 eV yielding energies of the most prominent [1s(2$\ell$\,n$\ell^{\prime}$)]$^2$P$^o$ resonances with an absolute accuracy of the order of 130 ppm. The natural linewidths of the [1s(2s\,2p)$^3$P] $^2$P${\rm ^o}$ and [1s(2s\,2p)$^1$P] $^2$P${\rm ^o}$ resonances were measured to be $4.8 \pm 0.6$ meV and $29.7 \pm 2.5$ meV, respectively, which compare favourably with theoretical results of 4.40 meV and 30.53 meV determined using an intermediate coupling R-matrix method.

astro-ph.EP↗

arXiv2012

Valence-shell photoionization of chlorine-like Ar$^{+}$ ions

Absolute cross-section measurements for valence-shell photoionization of Ar$^{+}$ ions are reported for photon energies ranging from 27.4 eV to 60.0 eV. The data, taken by merging beams of ions and synchrotron radiation at a photon energy resolution of 10 meV, indicate that the primary ion beam was a statistically weighted mixture of the $^2P^o_{3/2}$ ground state and the $^2P^o_{1/2}$ metastable state of Ar$^{+}$. Photoionization of this C$\ell$-like ion is characterized by multiple Rydberg series of autoionizing resonances superimposed on a direct photoionization continuum. Observed resonance lineshapes indicate interference between indirect and direct photoionization channels. Resonance features are spectroscopically assigned and their energies and quantum defects are tabulated. The measurements are satisfactorily reproduced by theoretical calculations based on an intermediate coupling semi-relativistic Breit-Pauli approximation.

astro-ph.EP↗

arXiv2011

Advances in Atomic Data for Neutron-Capture Elements

Neutron(n)-capture elements (atomic number Z>30), which can be produced in planetary nebula (PN) progenitor stars via s-process nucleosynthesis, have been detected in nearly 100 PNe. This demonstrates that nebular spectroscopy is a potentially powerful tool for studying the production and chemical evolution of trans-iron elements. However, significant challenges must be addressed before this goal can be achieved. One of the most substantial hurdles is the lack of atomic data for n-capture elements, particularly that needed to solve for their ionization equilibrium (and hence to convert ionic abundances to elemental abundances). To address this need, we have computed photoionization cross sections and radiative and dielectronic recombination rate coefficients for the first six ions of Se and Kr. The calculations were benchmarked against experimental photoionization cross section measurements. In addition, we computed charge transfer (CT) rate coefficients for ions of six n-capture elements. These efforts will enable the accurate determination of nebular Se and Kr abundances, allowing robust investigations of s-process enrichments in PNe.

astro-ph.SR↗

arXiv2010

Experimental Photoionization Cross-Section Measurements in the Ground and Metastable State Threshold Region of Se+

Absolute photoionization cross-section measurements are reported for Se+ in the photon energy range 18.0-31.0 eV, which spans the ionization thresholds of the 4S_{3/2} ground state and the low-lying 2P_{3/2,1/2} and 2D_{5/2,3/2} metastable states. The measurements were performed using the Advanced Light Source synchrotron radiation facility. Strong photoexcitation-autoionization resonances due to 4p-->nd transitions are seen in the cross-section spectrum and identified with a quantum-defect analysis.

physics.atom-ph↗

arXiv2010

New Atomic Data for Trans-Iron Elements and Their Application to Abundance Determinations in Planetary Nebulae

[Abridged] Investigations of neutron(n)-capture element nucleosynthesis and chemical evolution have largely been based on stellar spectroscopy. However, the recent detection of these elements in several planetary nebulae (PNe) indicates that nebular spectroscopy is a promising new tool for such studies. In PNe, n-capture element abundance determinations reveal details of s-process nucleosynthesis and convective mixing in evolved low-mass stars, as well as the chemical evolution of elements that cannot be detected in stellar spectra. Only one or two ions of a given trans-iron element can typically be detected in individual nebulae. Elemental abundance determinations thus require corrections for the abundances of unobserved ions. Such corrections rely on the availability of atomic data for processes that control the ionization equilibrium of nebulae. Until recently, these data were unknown for virtually all n-capture element ions. For the first five ions of Se, Kr, and Xe -- the three most widely detected n-capture elements in PNe -- we are calculating photoionization cross sections and radiative and dielectronic recombination rate coefficients using the multi-configuration Breit-Pauli atomic structure code AUTOSTRUCTURE. Charge transfer rate coefficients are being determined with a multichannel Landau-Zener code. To calibrate these calculations, we have measured absolute photoionization cross sections of Se and Xe ions at the Advanced Light Source synchrotron radiation facility. These atomic data can be incorporated into photoionization codes, which we will use to derive ionization corrections (hence abundances) for Se, Kr, and Xe in ionized nebulae. These results are critical for honing nebular spectroscopy into a more effective tool for investigating the production and chemical evolution of trans-iron elements in the Universe.

astro-ph.GA↗

arXiv2010

Multi-quasiparticle structures up to spin $\sim{44}\hbar$ in the odd-odd nucleus $^{168}$Ta

High-spin states in the odd-odd nucleus $^{168}$Ta have been populated in the $^{120}$Sn($^{51}$V,3n) reaction. Two multi-quasiparticle structures have been extended significantly from spin $\sim{20\hbar}$ to above ${40\hbar}$. As a result, the first rotational alignment has been fully delineated and a second band crossing has been observed for the first time in this nucleus. Configurations for these strongly-coupled rotational bands are proposed based on signature splitting, $B(M1)/B(E2)$ ratio information, and observed rotation-alignment behavior. Properties of the observed bands in $^{168}$Ta are compared to related structures in the neighboring odd-$Z$, odd-$N$, and odd-odd nuclei and are discussed within the framework of the cranked shell model.

nucl-ex↗

arXiv2008

Improved Neutron-Capture Element Abundances in Planetary Nebulae

Spectroscopy of planetary nebulae (PNe) provides the means to investigate s-process enrichments of neutron(n)-capture elements that cannot be detected in asymptotic giant branch (AGB) stars. However, accurate abundance determinations of these elements present a challenge. Corrections for unobserved ions can be large and uncertain, since in many PNe only one ion of a given n-capture element has been detected. Furthermore, the atomic data governing the ionization balance of these species are not well-determined, inhibiting the derivation of accurate ionization corrections. We present initial results of a program that addresses these challenges. Deep high resolution optical spectroscopy of ~20 PNe has been performed to detect emission lines from trans-iron species including Se, Br, Kr, Rb, and Xe. The optical spectral region provides access to multiple ions of these elements, which reduces the magnitude and importance of uncertainties in the ionization corrections. In addition, experimental and theoretical efforts are providing determinations of the photoionization cross-sections and recombination rate coefficients of Se, Kr, and Xe ions. These new atomic data will make it possible to derive robust ionization corrections for these elements. Together, our observational and atomic data results will enable n-capture element abundances to be determined with unprecedented accuracy in ionized nebulae.

astro-ph↗

arXiv2005

A High Efficiency Ultra High Vacuum Compatible Flat Field Spectrometer for EUV Wavelengths

A custom, flat field, extreme ultraviolet EUV spectrometer built specifically for use with low power light sources that operate under ultrahigh vacuum conditions is reported. The spectral range of the spectrometer extends from 4 nm to 40 nm. The instrument optimizes the light gathering power and signal to noise ratio while achieving good resolution. A detailed description of the spectrometer and design considerations are presented, as well as a novel procedure that could be used to obtain a synthetic wavelength calibration with the aid of only a single known spectral feature. This synthetic wavelength calibration is compared to a standard wavelength calibration obtained from previously reported spectral lines of Xe, Ar and Ne ions recorded with this spectrometer.

physics.atom-ph↗

arXiv2005

UTA versus line emission for EUVL: Studies on xenon emission at the NIST EBIT

Spectra from xenon ions have been recorded at the NIST EBIT and the emission into a 2% bandwidth at 13.5 nm arising from 4d-5p transitions compared with that from 4d-4f and 4p-4d transitions in Xe XI and also with that obtained from the unresolved transition array (UTA) observed to peak just below 11 nm. It was found that an improvement of a factor of five could be gained in photon yield using the UTA rather than the 4d-5p emission. The results are compared with atomic structure calculations and imply that a significant gain in efficiency should be obtained using tin, in which the emission at 13.5 nm comes from a similar UTA, rather than xenon as an EUVL source material.

physics.atom-ph↗

arXiv2001

Evidence for Neutrino Oscillations from the Observation of Electron Anti-neutrinos in a Muon Anti-Neutrino Beam

A search for muon anti-neutrino to electron anti-neutrino oscillations was conducted by the Liquid Scintillator Neutrino Detector at the Los Alamos Neutron Science Center using muon anti-neutrinos from positive muon decay at rest. A total excess of 87.9 +/- 22.4 +/- 6.0 events consistent with electron anti-neutrino plus proton scattering to positron plus neutron was observed above the expected background. This excess corresponds to an oscillation probability of (0.264 +/- 0.067 +/- 0.045), which is consistent with an earlier analysis. In conjunction with other known limits on neutrino oscillations, the LSND data suggest that neutrino oscillations occur in the 0.2-10 eV^2/c^4 Delta-m^2 range, indicating a neutrino mass greater than 0.4 eV/c^2.

hep-ex↗