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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 163 records · Page 9
All sourcesNASA NTRSDOE OSTI
DOE OSTI2019

Complementary bimodal approach to monitoring of photodynamic therapy with targeted nanoconstructs: numerical simulations

We propose a new approach to monitoring photodynamic therapy (PDT) of glioblastoma with the use of targeted nanoconstructs containing a photosensitiser (PS) [benzoporphyrin derivative (BPD)] and IRDye800 dye, antibodies for efficient accumulation of the drug in a tumour, and a chemotherapeutic agent for combined effect on tumour cells. Application of IRDye800 is determined by the shift of its absorption and fluorescence spectra to the near-IR range with respect to BPD that ensures a higher imaging depth. Monitoring of PDT is based on the simultaneous fluorescence and optoacoustic (OA) imaging. Fluorescence imaging provides visualisation of fluorescence agents with high molecular sensitivity and monitoring of the effectiveness of PDT by PS photobleaching. OA allows one to examine the vascular pattern of the tumour environment, as well as assess the depth of the tumour. IRDye800 is a better contrast agent in comparison to BPD due to red-shifted spectral characteristics and a higher fluorescence quantum yield. Monte Carlo simulations combined for OA simulations with K-wave modelling allowed the feasibility of the complementary approach to be studied and demonstrated that this combination allows one to localise a tumour with a size of 2 mm at depths from 100 μm to 2 mm. (paper)

62 RADIOLOGY AND NUCLEAR MEDICINE↗
DOE OSTI2019

Stimulated emission of AlGaN layers grown on sapphire substrates using ammonia molecular beam epitaxy

By optimising the growth temperature of the AlGaN layers and using high-temperature AlN buffer layers, high-quality Al{sub x}Ga{sub 1 – x}N layers (x = 0.15, 0.21, 0.26, and 0.3) were obtained, in which stimulated emission in the UV spectral range 330 – 297 nm was implemented with the threshold intensity of excitation I{sub th} ≈ 0.7 – 1.4 MW cm{sup −2}, respectively. It is found that the threshold value of the stimulated emission of AlGaN layers grown by molecular beam epitaxy is largely determined by the intensity of the process of thermal decomposition of GaN, which affects the surface morphology and, consequently, the amount of optical scattering loss. It is shown that no pronounced localisation of nonequilibrium charge carriers occurs in the AlGaN layers, which is manifested in the absence of a large Stokes shift and in the realisation of optical amplification at transitions in an electron-hole plasma, and also indicates a relatively homogeneous material composition. (paper)

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2019

Balance-equation method for simulating terahertz quantum-cascade lasers using a wave-function basis with reduced dipole moments of tunnel-coupled states

A model based on a system of balance equations for localised and continuum states is developed to calculate the current − voltage (I − V) and power characteristics of quantum-cascade lasers (QCLs) operating in the terahertz (THz) range. A method for modifying the eigenbasis of the Schrödinger equation by reducing the dipole moments of tunnel-coupled states is proposed to take into account the effect of dephasing on the carrier transport. The calculated and experimental data on the current − voltage characteristics and the dependence of the integrated radiation intensity on current for the THz QCLs lasing at 2.3 THz are compared. The calculated and measured values of the threshold current, lasing current range, and maximum operating temperature T{sub max} are found to be in good agreement. It is shown that T{sub max} can be increased by 25 % by reducing the thickness of the top contact layer n{sup +}-GaAs of the laser structure under study from 800 to 100 nm. (paper)

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2019

Optical fibres and fibre tapers with an array of Bragg gratings

The properties of optical fibres with an array of fibre Bragg gratings written directly during the fibre drawing are considered. Such optical fibres offer new possibilities for producing new types of active and passive fibre elements due to the enhanced back-reflected signal of the so-called artificial Rayleigh scattering, and are of interest for modelling physical phenomena associated with the statistics of reflecting centres in optical fibres, such as, e.g., localisation of photons. We studied fibres with an array of Bragg gratings written in photosensitive fibres, ordinary single-mode optical fibre of the SMF-28 type and in fibre with a core doped with erbium ions. To control the spectrum width of the reflected signal, we used chirped phase masks, as well as writing arrays of gratings in tapered optical fibres. (paper)

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2020

Nanodiamonds with SiV colour centres for quantum technologies

Properties of silicon-vacancy (SiV) colour centres in ultra-nanosize diamonds are studied. Nanodiamonds are obtained at a high temperature and pressure, which induced transformations in mixtures of organic and hetero-organic compounds without metal-catalysts. The size distribution of grown nanodiamonds is determined by the methods of transmission electron microscopy and atomic-force microscopy, as well as by using the model of phonon spatial localisation. In addition, Raman spectra of various nanodiamonds and luminescence properties of SiV-centres are investigated. (laser applications and other topics in quantum electronics)

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2020

Utilisation of spatial derivative measurements in circular diffuse optical tomographic imaging to improve image resolution and contrast

The resolution of images recovered using diffuse optical tomography without spatial prior information is inherently limited due to the diffusive nature of light transport in scattering dominated biological tissue. Several studies have previously reported an improvement in depth sensitivity in near infrared spectroscopy by considering the subtraction of two neighbouring measurements. A nearest neighbour, spatial derivative based algorithm is presented, in which the difference between neighbouring source-sharing source – detector pairs is considered for tomographic reconstruction. Using a circular, inward-facing optode geometry, it is shown that deeper abnormalities in oxyhaemoglobin, deoxyhaemoglobin and water can be recovered with better localisation and contrast as compared to reconstructing using absolute values of multi-wavelength data. Relative improvements of up to 25 % in quantitative accuracy of recovered physiological values are demonstrated at better resolution for cancerous tissue in a heterogeneous breast model, when using this proposed spatial derivative based parameter reconstruction. (paper)

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2020

Spectroscopy of atoms in an optical dipole trap using spectrally selective heating by a probe laser field

Spectral properties of atoms localised in an optical dipole trap are studied using the method of spectrally selective heating by a probe field. The method is based on measuring the number of atoms in a trap after they interact with a probe field. The dependence of the number of atoms on the frequency of the probe field fully characterises the shift and width of the spectral absorption line of trapped atoms. (paper)

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2020

Quantum cascade laser with bound-to-quasi-continuum optical transitions at a temperature of up to 371 K

Based on a matched Ga{sub 0.47}In{sub 0.53}As/Al{sub 0.48}In{sub 0.52}As heteropair, we have developed a quantum cascade laser emitting at a wavelength of 7.4 μm. The chosen heterostructure with a relatively large number of quantum wells and barriers represents two mini-bands separated by a mini-gap with a localised doublet level near the upper mini-band, which provides a wide emission band (∼100 cm{sup −1}). In a pulse regime, the maximal laser operation temperature is 371 K. Such a high temperature is explained by two factors: a large energy of the transfer from the doublet to the upper mini-band and a large volt defect. The characteristic temperatures T{sub 0} are found, which are equal to 170 K for low (less than 300 K) temperatures and 270 K for the range of 300 − 370 K. In addition, optical cavity losses are determined to be 2.5 and 7.7 cm{sup −1} at temperatures of 80 and 254 K, respectively. The pulse power is 0.3 W at 80 K and 0.05 W at 293 K. (lasers, active media)

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2020

Atom femtosecond optical trap based on spectrally filtered laser radiation

We have examined the use of alkali metal (rubidium) vapour for spectral filtering of broadband pulsed laser light that is used to produce a femtosecond pulsed optical dipole trap. It has been shown that, even at large detuning of the centre emission frequency from the frequency of atomic transitions, spectral components present in the wings of the laser emission line are capable of heating localised atoms, thus reducing their lifetime in the atomic trap. Using atomic vapour for filtering the laser emission spectrum, we have suppressed its spectral components resulting in heating. This has made it possible to increase the lifetime of atoms in the pulsed optical dipole trap to a value comparable to their lifetime in an optical trap formed by narrow-band cw laser light. (paper)

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2020

Reversible plasmonic switching in a graphene nanoresonator loaded with a core – shell quantum dot

A model of an all-plasmonic switch based on a graphene waveguide integrated with a stub nanoresonator loaded with a quantum dot is considered. Using the full-wave numerical simulation, it is shown that successive on/off switching of the control surface plasmon – polariton wave at the input of the waveguide leads to a change in the phase of the signal plasmon – polariton wave in the nanoresonator by π. This causes reversible switching of the device operation regime – from almost complete blocking to stable transmission of the signal plasmon – polariton wave through the waveguide. The effect is implemented at rates of ∼0.5 THz for infrared electromagnetic waves localised in a device with a switching region of 40 × 20 nm. (paper)

36 MATERIALS SCIENCE↗
DOE OSTI2020

Nonlinear waves in a thin dielectric film on the surface of a topological insulator

Based on the dispersion relation for a wave localised in a thin film of a nonlinear dielectric, which is located on the surface of a topological insulator, we have derived a system of equations that describes the propagation of a surface wave. It is shown that the longitudinal and transverse tangential components of the electric field vector are related due to the nonlinearity of the film and change periodically during propagation. It is found that the rotation period of this vector is determined by the axion charge of the topological dielectric and the nonlinear susceptibility of the thin film. (paper)

36 MATERIALS SCIENCE↗
DOE OSTI2017

A local framework for calculating coupled cluster singles and doubles excitation energies (LoFEx-CCSD)

Here, the recently developed Local Framework for calculating Excitation energies (LoFEx) is extended to the coupled cluster singles and doubles (CCSD) model. In the new scheme, a standard CCSD excitation energy calculation is carried out within a reduced excitation orbital space (XOS), which is composed of localised molecular orbitals and natural transition orbitals determined from time-dependent Hartree–Fock theory. The presented algorithm uses a series of reduced second-order approximate coupled cluster singles and doubles (CC2) calculations to optimise the XOS in a black-box manner. This ensures that the requested CCSD excitation energies have been determined to a predefined accuracy compared to a conventional CCSD calculation. We present numerical LoFEx-CCSD results for a set of medium-sized organic molecules, which illustrate the black-box nature of the approach and the computational savings obtained for transitions that are local compared to the size of the molecule. In fact, for such local transitions, the LoFEx-CCSD scheme can be applied to molecular systems where a conventional CCSD implementation is intractable.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2026

Deep learning‑based metal artefact reduction in X-ray computed tomography of TRISO fuel compacts

TRISO (TRi-structural ISOtropic) – compact-type micro-particle fuels – are next generation nuclear fuel compacts designed with safety in mind. Structural integrity and characterisation before and after irradiation are important to determine the performance of the fuel compacts under real reactor conditions. X-ray computed tomography can be an important tool for non-destructive evaluation of these fuel compacts. The fuel particles are highly attenuating for X-rays which creates metal artefact, rendering the images unusable. Our artefact correction can mitigate these artefacts significantly. The proposed method works by first segmenting highly-attenuating structures (metal) and forward projecting to localise the source of artefacts in the projection domain, then, using a traditional or U-net-based deep learning architecture, contextually interpolating those regions to remove the artefacts. Finally the reconstruction from the modified projection is fused with the segmented metal. The proposed method shows a significant improvement in the image quality while significantly reducing the reconstruction time compared to the standard technique.

Rahman, Obaid [ORNL] (ORCID:0000000277810840)↗
DOE OSTI2019

Ultrasonic additive manufacturing of 4130 steel using Ni interlayers

Ultrasonic additive manufacturing (UAM) is a solid-state manufacturing process for making complex components. However, fabrication of ferritic (body centered cubic) steels has been challenging for UAM due to its high hardness. This research successfully joined AISI 4130 steel sheets by using soft Ni (face centered cubic) interlayers. The localisation of plastic deformation in the Ni-interlayer leads to a significant reduction in voids. A post-process heat-treatment was designed using thermodynamic calculations to dissolve nickel into steel matrix. Energy dispersive X-ray spectroscopy measurements showed ~10 µm Ni from the interlayer diffused into the steel side, confirming the feasibility of the approach. The shear tests show a higher shear strength in comparison to as-processed 4130 without interlayers and post processed using hot isostatic pressing (HIP).

36 MATERIALS SCIENCE↗
DOE OSTI2017

Influence of smooth temperature variation on hotspot ignition

Autoignition in thermally stratified reactive mixtures originates in localised hotspots. The ignition behaviour is often characterised using linear temperature gradients and more recently constant temperature plateaus combined with temperature gradients. Acoustic timescale characterisation of plateau regions has been successfully used to characterise the type of mechanical disturbance that will be created from a plateau core ignition. This work combines linear temperature gradients with superelliptic cores in order to more accurately account for a local temperature maximum of finite size and the smooth temperature variation contained inside realistic hotspot centres. A one-step Arrhenius reaction is used to model a H 2 –air reactive mixture. Using the superelliptic approach a range of behaviours for temperature distributions are investigated by varying the temperature profile between the gradient only and plateau and gradient bounding cases. Each superelliptic case is compared to a respective plateau and gradient case where simple acoustic timescale characterisation may be performed. It is shown that hot spots equivalent with excitation-to-acoustic timescale ratios sufficiently greater than unity exhibit behaviour very similar to a simple plateau-gradient model. Furthermore, for larger hot spots with timescale ratios sufficiently less than unity the reaction behaviour is highly dependent on the smooth temperature profile contained within the core region.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

Popnet : computer vision based deep learning model for forecasting gridded population

Here, this study introduces Popnet, a deep learning model for forecasting 1 km-gridded populations, integrating U-Net, ConvLSTM, a Spatial Autocorrelation module and deep ensemble methods. Using spatial variables and population data from 2000 to 2020, Popnet predicts South Korea’s population trends by age groups (under 14, 15-64 and over 65) up to 2040. In validation, it outperforms traditional machine learning and state-of-the-art computer vision models. The output of this model discovered significant polarisation: population growth in urban areas, especially the capital region, and severe depopulation in rural areas. Popnet is a robust tool for offering significant insights to policymakers and related stakeholders about the detailed future population, which allows them to establish detailed, localised planning and resource allocations.

computer vision↗
DOE OSTI2016

Axisymmetric oscillations at L–H transitions in JET: M-mode

L to H transition studies at JET have revealed an n = 0, m = 1 magnetic oscillation starting immediately at the L to H transition (called M-mode for brevity). While the magnetic oscillation is present a weak ELM-less H-mode regime is obtained, with a clear increase of density and a weak electron temperature pedestal. It is an intermediate state between L and H-mode. In ICRH heated plasmas or low density NBI plasmas the magnetic mode and the pedestal can remain steady (with small oscillations) for the duration of the heating phase, of order 10 s or more. The axisymmetric magnetic oscillation has period ~0.5–2 ms, and poloidal mode number m = 1: it looks like a pedestal localised up/down oscillation, although it is clearly a natural oscillation of the plasma, not driven by the position control system. Electron cyclotron emission, interferometry, reflectometry and fast Li beam measurements locate the mode in the pedestal region. Dα, fast infrared camera and Langmuir probe measurements show that the mode modulates heat and particle fluxes to the target. The mode frequency appears to scale with the poloidal Alfvén velocity, and not with sound speed (i.e. it is not a geodesic acoustic mode). A heuristic model is proposed for the frequency scaling of the mode. We discuss the relationship between the M-mode and other related observations near the L–H transition.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2021

Two-dimensional correlation analysis for x-ray photoelectron spectroscopy

Abstract X-ray photoelectron spectroscopy (XPS) measures the binding energy of core-level electrons, which are well-localised to specific atomic sites in a molecular system, providing valuable information on the local chemical environment. The technique relies on measuring the photoelectron spectrum upon x-ray photoionisation, and the resolution is often limited by the bandwidth of the ionising x-ray pulse. This is particularly problematic for time-resolved XPS, where the desired time resolution enforces a fundamental lower limit on the bandwidth of the x-ray source. In this work, we report a novel correlation analysis which exploits the correlation between the x-ray and photoelectron spectra to improve the resolution of XPS measurements. We show that with this correlation-based spectral-domain ghost imaging method we can achieve sub-bandwidth resolution in XPS measurements. This analysis method enables XPS for sources with large bandwidth or spectral jitter, previously considered unfeasible for XPS measurements.

47 OTHER INSTRUMENTATION↗