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At least 1,585 records · Page 88

Tailoring of crystal phase and Néel temperature of cobalt monoxides nanocrystals with synthetic approach conditions

Cobalt monoxide (CoO) nanocrystals were synthesized by thermal decomposition of cobalt oleate precursor in a high boiling point organic solvent 1-octadecene. The X-ray diffraction pattern and transmission electron microscopy studies suggest that pure face-centered-cubic (fcc) phase of CoO can be synthesized in the temperature range of 569–575 K. Thermolysis product at higher synthesis temperature 585 K is a mixture of fcc and hexagonal-closed-packed (hcp) phases. These nanocrystals are single crystals of CoO and exhibit mixture of two types of morphologies; one is nearly spherical with 5–25 nm diameter, and other one is 5–10 nm thick flake. The pure fcc-CoO nanocrystals show enhanced, and mixture of fcc- and hcp-CoO nanocrystals show reduced antiferromagnetic ordering temperature. Such results provide new opportunities for optimizing and enhancing the properties and performance of cobalt oxide nanomaterials.

77 NANOSCIENCE AND NANOTECHNOLOGY↗

Neutron tomography of axially symmetric objects using 14 MeV neutrons from a portable neutron generator

In nuclear boiling water reactor cores, the distribution of water and steam (void) is essential for both safety and efficiency reasons. In order to enhance predictive capabilities, void distribution assessment is performed in two-phase test-loops under reactor-relevant conditions. This article proposes the novel technique of fast-neutron tomography using a portable deuterium-tritium neutron generator to determine the time-averaged void distribution in these loops. Fast neutrons have the advantage of high transmission through the metallic structures and pipes typically concealing a thermal-hydraulic test loop, while still being fairly sensitive to the water/void content. However, commercially available fast-neutron generators also have the disadvantage of a relatively low yield and fast-neutron detection also suffers from relatively low detection efficiency. Fortunately, some loops are axially symmetric, a property which can be exploited to reduce the amount of data needed for tomographic measurement, thus limiting the interrogation time needed. In this article, three axially symmetric test objects depicting a thermal-hydraulic test loop have been examined; steel pipes with outer diameter 24 mm, thickness 1.5 mm, and with three different distributions of the plastic material POM inside the pipes. Data recorded with the FANTOM fast-neutron tomography instrument have been used to perform tomographic reconstructions to assess their radial material distribution. Here, a dedicated tomographic algorithm that exploits the symmetry of these objects has been applied, which is described in the paper. Results are demonstrated in 20 rixel (radial pixel) reconstructions of the interior constitution and 2D visualization of the pipe interior is demonstrated. The local POM attenuation coefficients in the rixels were measured with errors (RMS) of 0.025, 0.020, and 0.022 cm{sup −1}, solid POM attenuation coefficient. The accuracy and precision is high enough to provide a useful indication on the flow mode, and a visualization of the radial material distribution can be obtained. A benefit of this system is its potential to be mounted at any axial height of a two-phase test section without requirements for pre-fabricated entrances or windows. This could mean a significant increase in flexibility of the void distribution assessment capability at many existing two-phase test loops.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

Fabrication of self-healing super-hydrophobic surfaces on aluminium alloy substrates

We present a method to fabricate a super-hydrophobic surface with a self-healing ability on an aluminium alloy substrate. The coatings are obtained by combining a two-step process (first, the substrate is immersed in a solution of HCl, HF and H{sub 2}O, and then in boiling water) and succeeding surface fluorination with a solution of poly(vinylidene-fluoride-co-hexafluoropropylene) and a fluoroalkyl silane. The morphological features and chemical composition were studied by scanning electron micrometry and energy-dispersive X-ray spectroscopy. The prepared super-hydrophobic aluminium surfaces showed hierarchical structures forming pores, petals and particles with a contact angle of 161° and a sliding angle of 3°.

36 MATERIALS SCIENCE↗

Molecular dynamics study on the effect of boundary heating rate on the phase change characteristics of thin film liquid

In this study, theoretical investigation of thin film liquid phase change phenomena under different boundary heating rates has been conducted with the help of molecular dynamics simulation. To do this, the case of argon boiling over a platinum surface has been considered. The study has been conducted to get a better understanding of the nano-scale physics of evaporation/boiling for a three phase system with particular emphasis on the effect of boundary heating rate. The simulation domain consisted of liquid and vapor argon atoms placed over a platinum wall. Initially the whole system was brought to an equilibrium state at 90 K with the help of equilibrium molecular dynamics and then the temperature of the bottom wall was increased to a higher temperature (250 K/130 K) over a finite heating period. Depending on the heating period, the boundary heating rate has been varied in the range of 1600×10{sup 9} K/s to 8×10{sup 9} K/s. The variations of argon region temperature, pressure, net evaporation number with respect to time under different boundary heating rates have been determined and discussed. The heat fluxes normal to platinum wall for different cases were also calculated and compared with theoretical upper limit of maximum possible heat transfer to elucidate the effect of boundary heating rate.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Simulation of reflooding on two parallel heated channel by TRACE

In case of Loss-Of-Coolant accident (LOCA) in a Boiling Water Reactor (BWR), heat generated in the nuclear fuel is not adequately removed because of the decrease of the coolant mass flow rate in the reactor core. This fact leads to an increase of the fuel temperature that can cause damage to the core and leakage of the radioactive fission products. In order to reflood the core and to discontinue the increase of temperature, an Emergency Core Cooling System (ECCS) delivers water under this kind of conditions. This study is an investigation of how the power distribution between two channels can affect the process of reflooding when the emergency water is injected from the top of the channels. The peak cladding temperature (PCT) on LOCA transient for different axial level is determined as well. A thermal-hydraulic system code TRACE has been used. A TRACE model of the two heated channels has been developed, and three hypothetical cases with different power distributions have been studied. Later, a comparison between a simulated and experimental data has been shown as well.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

Development and characterization of liquid argon and methane microjets for high-rep-rate laser-plasma experiments

A cryogenic microjet system has been used here for delivering micron-scale continuous liquid hydrogen targets for laser-plasma experiments. This technique has been extended to higher-Z, higher boiling-point gases, including argon and methane. High-resolution shadowgraphy has been used to characterize the jet’s morphology and pointing stability. A split and delay illumination source has also been developed for direct measurement of jet speeds without relying on assumptions of fluid flow conditions. Under typical conditions, the argon jets freeze solid due to evaporative cooling, but the methane jets remain liquid and break up to a droplet stream. A piezo driver is used to ensure the droplets are of uniform size. This jet has enabled the investigation of methane in planetary core conditions with high-rep-rate laser heating and x-ray laser probing.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

High-temperature superconductivity in alkaline and rare earth polyhydrides at high pressure: A theoretical perspective

The theoretical exploration of the phase diagrams of binary hydrides under pressure using ab initio crystal structure prediction techniques coupled with first principles calculations has led to the in silico discovery of numerous novel superconducting materials. This Perspective focuses on the alkaline earth and rare earth polyhydrides whose superconducting critical temperature, T c , was predicted to be above the boiling point of liquid nitrogen. After providing a brief overview of the computational protocol used to predict the structures of stable and metastable hydrides under pressure, we outline the equations that can be employed to estimate T c . The systems with a high T c can be classified according to the motifs found in their hydrogenic lattices. Here, the highest T c s are found for cages that are reminiscent of clathrates and the lowest for systems that contain atomic and molecular hydrogen. A wide variety of hydrogenic motifs including 1- and 2-dimensional lattices, as well as H δ– 10 molecular units comprising fused H δ– 5 pentagons, are present in phases with intermediate T c s. Some of these phases are predicted to be superconducting at room temperature. Some may have recently been synthesized in diamond anvil cells.

08 HYDROGEN↗

Novel PBX formulations containing thermally-expandable microspheres for on-demand control of explosive behavior

In this work, we present the formulation and analysis of inert Plastic-Bonded eXplosive (PBX)-surrogates loaded with thermally expandable microspheres (TEMs). TEMs consist of a thermoplastic acrylonitrile shell (10-50 µm diameter) encapsulating an inert low boiling hydrocarbon. Upon heating, the TEMs expand as the shell softens while the hydrocarbon gasifies, increasing the internal pressure and expanding the particle by as much as 120 vol%. We hypothesize that TEM expansion within a PBX will introduce tunable changes in local density and porosity, and ultimately the shock sensitivity. This paper focuses on microstructural analysis of surrogate PBX-TEM formulations, both before and after thermally- induced TEM expansion. The formulations were analyzed by scanning electron microscopy (SEM), ultra-small angle neutron scattering (USANS), and X-ray Computed Tomography (x-ray CT) under various thermal conditions. Evidence suggests that TEM expansion within a PBX is a viable method to impart microstructural changes that are predicted to have a measurable, on-demand effect on the initiation sensitivity. Future work includes development of PBX-TEM formulations with HMX and shock initiation experiments.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Novel method to control explosive shock sensitivity: Formulations, experiments and modeling

The microstructure of a heterogeneous high explosive (HE) affects its shock initiation sensitivity and detonation performance. Alteration of the void content and/or void structure (i.e., bulk heating or mechanical damage) therefore changes the shock initiation behavior. Controlling and predicting the change in shock sensitivity after an HE has undergone microstructural changes addresses an important and challenging goal for the design and understanding of novel energetic material formulations. In this study, we aimed to develop HE systems to precisely tune shock sensitivity by a thermal treatment prior to use. Specifically, we incorporated a small fraction (1 wt% or less) of thermally expandable microspheres (TEMs) during the formulation process of various plastic-bonded explosives (PBX). TEMs typically consist of a thermoplastic acrylonitrile shell (10-50 µm diameter), which encapsulates an inert low boiling hydrocarbon. Upon heating, the TEMs expand as the shell softens while the hydrocarbon gasifies, increasing the internal pressure and expanding the particle by as much as 120 vol% (irreversibly). Here, we present our progress on shock sensitivity comparisons of HE formulations doped with TEMs after heating and expansion. Experiments, using Composition C-4 thermally cycled to 120°C, showed an increase in shock sensitivity. Additionally, mesoscale modeling revealed that the TEM itself does not act as a hotspot, but instead has a secondary effect on the response of nearby voids. We conclude that TEMs indeed do provide a method to tune shock sensitivity. Further, our results emphasize the non-uniformity of shock waves at the mesoscale, and that upstream defects influence the reactivity of downstream defects.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

A high efficiency and low vibration liquid nitrogen cooling system for silicon crystal based x-ray optics

A compact low-cost cryocooling system has been designed, constructed, and tested at SLAC National Accelerator Laboratory. The cooling power is provided by natural convection and phase change of the liquid nitrogen. The initial application was to cool silicon crystal optics to the sub-100 K range. A silicon crystal of dimension (width × depth × height) 50 × 50 × 30 mm3 has been used with an electric heater on the top surface in this prototyping test. This system can effectively provide more than 80 W of cooling power to the optics with a consumption of liquid nitrogen less than 2.1 l/h. The vibration of the silicon crystal was monitored during the tests with added electric heater power on the crystal. We note the vibration of the silicon crystal due to liquid nitrogen boiling is negligible.

47 OTHER INSTRUMENTATION↗

Machine learning accelerated turbulence modeling of transient flashing jets

We report modeling the sudden depressurization of superheated liquids through nozzles is a challenge because the pressure drop causes rapid flash boiling of the liquid. The resulting jet usually demonstrates a wide range of structures, including ligaments and droplets, due to both mechanical and thermodynamic effects. As the simulation comprises increasingly numerous phenomena, the computational cost begins to increase. One way to moderate the additional cost is to use machine learning surrogacy for specific elements of the calculation. This study presents a machine learning-assisted computational fluid dynamics approach for simulating the atomization of flashing liquids accounting for distinct stages, from primary atomization to secondary breakup to small droplets using the Σ - Y model coupled with the homogeneous relaxation model. Notably, the models for thermodynamic non-equilibrium (HRM) and Σ - Y are coupled, for the first time, with a deep neural network that simulates the turbulence quantities, which are then used in the prediction of superheated liquid jet atomization. The data-driven component of this method is used for turbulence modeling, avoiding the solution of the two-equation turbulence model typically used for Reynolds-averaged Navier-Stokes simulations for these problems. Both the accuracy and speed of the hybrid approach are evaluated, demonstrating adequate accuracy and at least 25% faster computational fluid dynamics simulations than the traditional approach. This acceleration suggests that perhaps additional components of the calculation could be replaced for even further benefit. Published under an exclusive license by AIP Publishing.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

On the effect of mixing-driven vaporization in a homogeneous relaxation modeling framework

The homogeneous relaxation model (HRM) is one of the most widely used models to describe the liquid–gas phase transition in multiphase flows due to the occurrence of cavitation. However, in its original formulation, the HRM does not account for the presence of ambient gas species, which generally limits its applicability to the injector's internal flow where ambient gases are negligible. In this work, a mixing-driven vaporization (MDV) model was developed to extend the capability of the HRM in handling the mixing effect in the regions external to the nozzle, where vapor–liquid equilibrium for multi-species mixtures of fuel and ambient gas is considered. Herein, to assess the model performance, simulations of the Engine Combustion Network's Spray G injector were performed with the HRM and the MDV model under both flash-boiling and evaporating conditions. It was found that the MDV model led to a better match against x-ray measurements of fuel density in the near-nozzle region. In contrast to the HRM, the MDV model was able to reproduce the vaporization process in the mixing zone at the edge of the fuel jet, which aligns with the expected physics. This resulted in substantial differences in the prediction of other flow characteristics such as mixture temperature and pressure. Furthermore, this work demonstrates that evaporation timescales have a considerable effect on the MDV model's predictions, as shown by a parametric study in which a time factor was introduced to mimic the effect of different timescales due to different phase change mechanisms.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Borderline first-order phase transition and large cryogenic magnetocaloric effect in PrNdIn

We report a large cryogenic magnetocaloric effect stemming from an unconventional borderline first-order magnetic phase transition with negligibly small thermomagnetic hysteresis in a rare-earth-based intermetallic compound PrNdIn. The sample exhibits maximum magnetic field-induced entropy change as large as –10 J/Kg K (for 20 kOe magnetic field change) near the boiling point of oxygen. Magnetocaloric properties of PrNdIn are comparable to those of other known potential magnetocaloric materials with operating temperatures ranging between 50 and 125 K. Here, the magnetic properties of the present sample are qualitatively reminiscent of those of the binary Pr 2 In and Nd 2 In, including the emergence of a second low-temperature anomaly in the temperature dependence of magnetization.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Excess Density as a Descriptor for Electrolyte Solvent Design

Electrolytes mediate interactions between the cathode and anode and determine performance characteristics of batteries. Mixtures of multiple solvents are often used in electrolytes to achieve desired properties, such as viscosity, dielectric constant, boiling point, and melting point. Conventionally, multi-component electrolyte properties are approximated with linear mixing, but in practice, significant deviations are observed. Excess quantities can provide insights into the molecular behavior of the mixture and could form the basis for designing high-performance electrolytes. Here we investigate the excess density of commonly used Li-ion battery solvents such as cyclic carbonates, linear carbonates, ethers, and nitriles with molecular dynamics simulations. We additionally investigate electrolytes consisting of these solvents and a salt. The results smoothly vary with mole percent and are fit to permutation-invariant Redlich-Kister polynomials. Mixtures of similar solvents, such as cyclic-cyclic carbonate mixtures, tend to have excess properties that are lower in magnitude compared to mixtures of dissimilar substances, such as carbonate-nitrile mixtures. We perform experimental testing using our automated test stand, Clio, to provide validation to the observed simulation trends. We quantify the structure similarity using SOAP fingerprints to create a descriptor for excess density, enabling the design of electrolyte properties. To a first approximation, this will allow us to estimate the deviation of a mixture from ideal behavior based solely upon the structural dissimilarity of the components.

74 ATOMIC AND MOLECULAR PHYSICS↗

Transmittance jump in a thin aluminium layer during laser ablation

A jump in the transmittance (from ∼0.1% to ∼50% for ∼1 ns) of an optical gate on a Mylar film (a thin aluminium layer on a Lavsan substrate) irradiated by nanosecond (10{sup -7} – 10{sup -8} s) pulses of a neodymium laser with an intensity up to 0.1 GW cm{sup -2} has been recorded. The mechanism of a fast (10{sup -10} – 10{sup -11} s) increase in the transmittance of the aluminium layer upon its overheating (without boiling) to the metal – insulator phase-transition temperature is discussed. (interaction of laser radiation with matter. laser plasma)

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Laser-induced transfer of gel microdroplets for cell printing

We study thermal and transport processes involved in the transfer of gel microdroplets under the conditions of laser cell microprinting. The specific features of the interaction of pulsed laser radiation ( λ = 1.064 µm, pulse duration 4 – 200 ns, energy 2 µJ – 1 mJ) with the absorbing gold film deposited on the glass donor substrate are determined. The investigation of the dynamics of transport processes by means of fast optical video recording and optoacoustic methods makes it possible to determine the characteristics of the produced gel jets as functions of the laser operation regimes. The hydrodynamic process of interaction between the laser radiation and the gold coating with the hydrogel layer on it is considered and the temperature in the region of the laser pulse action is estimated. It is shown that in the mechanism of laser-induced transfer a significant role is played by the processes of explosive boiling of water (in gel) and gold. The amount of gold nanoparticles arriving at the acceptor plate in the process of the laser transfer is determined. For the laser pulse duration 8 ns and small energies (less than 10 µJ), the fraction of gold nanoparticles in the gel microdroplets is negligibly small, and their quantity linearly grows with increasing pulse energy. The performed studies offer a base for optimising the processes of laser transfer of gel microdroplets in the rapidly developing technologies of cell microprinting. (interaction of laser radiation with matter. laser plasma)

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Effect of laser-induced hydrodynamic dissection of biotissue in operative urology

We study the effects that occur in a physiological solution when laser radiation with a wavelength of 1.94 μm and a power of 60 – 120 W is delivered into it through an optical fibre. It is shown that as a result of the boiling of the liquid near the fibre end, a laser-induced hydrodynamic effect can be realised, in which a two-phase jet is formed, consisting of heated water and vapour-gas bubbles propagating at a speed of ∼1 m s{sup −1}. This jet can be used in medicine for dissecting biological tissues when removing a bladder tumour as a single unit, for dissecting the stricture of the ureter or urethra, and for enucleation of the prostate adenoma (hyperplasia). The use of this effect allows pathological tissue to be accurately separated from the underlying layer, virtually eliminating carbonisation and the formation of viable tumour fragments, which can lead to tumour dissemination. The characteristics of a laser-induced jet, which determine the nature of its effect on biological tissues, are studied experimentally, and the optimal regimes of laser irradiation are found. It is shown that the jet parameters most effective for hydrodynamic dissection of biological tissue are implemented using a radiation power of 120 W at a distance of ∼3 mm from the fibre end. (laser medicine)

62 RADIOLOGY AND NUCLEAR MEDICINE↗

Laser formation of luminescence bubble microstructures in polymer films

The results of laser-induced formation of luminescent structures on the surface of poly-2.2’-n-oxydiphenylene-5.5’-bis-benzimidazole films, obtained by the coating method from a formic acid solution, are presented. The structures are formed using cw 405-nm laser radiation with intensities of 10{sup 2} – 10{sup 4} W cm{sup –2}. It is shown (using methods of optical, atomic-force, and electron microscopy) that the structures formed on the surface are microbubble foam-like aggregations. Their formation is modelled as a sequence of the following processes: release of formic acid molecules, their condensation on matrix defects in the surface layer, and explosive boiling as a result of heating this layer of polymer film by the laser beam. The luminescence of these structures is due to the weakening of the concentration quenching from closely spaced luminescence centres in benzimidazole cycles during their emergence to the surface and the increase in the distance between them due to the extension on bubble aggregates on the surface. (interaction of laser radiation with matter. laser plasma)

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗