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At least 199 records · Page 11

Scaling the polymerization of polyaldehydes through continuous flow synthesis

Abstract A plug flow reactor was constructed to scale the synthesis of metastable, phthalaldehyde-based polymers to achieve production rates of 1–2 kg per day. The flow-induced mixing and in-line polymerization quench and precipitation sequences resulted in improved polymer purity and long-term stability compared to the same materials made from a conventional batch process. Cryogenic rheology was used to probe the complex fluid dynamics encountered during the polymerization of PPA homopolymers. It is envisioned that this continuous flow manufacturing approach could be extended to other low ceiling temperature or aldehyde monomer systems to help implement and support a plastic circular economy. Graphical abstract

Schwartz, Jared M.↗

Characterization of porosity in sulfide ore minerals: A USANS/SANS study

Porosity plays a key role in the formation and alteration of sulfide ore minerals, yet our knowledge of the nature and formation of the residual pores is very limited. Herein, we report the application of ultra-small-angle neutron scattering and small-angle neutron scattering (USANS/SANS) to assess the porosity in five natural sulfide minerals (violarite, marcasite, pyrite, chalcopyrite, and bornite) possibly formed by hydrothermal mineral replacement reactions and two synthetic sulfide minerals (violarite and marcasite) prepared experimentally by mimicking natural hydrothermal conditions. USANS/SANS data showed very different pore size distributions for these minerals. Natural violarite and marcasite tend to possess less pores in the small size range (<100 nm) compared with their synthetic counterparts. This phenomenon is consistent with a higher degree of pore healing or diagenetic compaction experienced by the natural violarite and marcasite. Surprisingly, nanometer-sized (<20 nm) pores were revealed for a natural pyrite cube from La Rioga, Spain, and the sample has a pore volume fraction of ~7.7%. Both chalcopyrite and bornite from the massive sulfide assemblage of the Olympic Dam deposit in Roxby Downs, South Australia, were found to be porous with a similar pore volume fraction (~15%), but chalcopyrite tends to have a higher proportion of nanometer-size pores centered at ~4 nm while bornite tends to have a broader pore size distribution. The specific surface area is generally low for these minerals ranging from 0.94 to 6.28 m2/g, and the surfaces are generally rough as surface fractal behavior was observed for all these minerals. This investigation has demonstrated that USANS/SANS is a very useful tool for analyzing porosity in ore minerals. We believe that with this quantified porosity information a deeper understanding of the complex fluid flow behavior within the porous minerals can be expected.

mineral replacement reactions↗

Upgrades to the Polarized Neutron Reflectometer Asterix at LANSCE

We have upgraded the polarized neutron reflectometer, Asterix, at the Lujan Neutron Scattering Center at Los Alamos for the benefit of the research communities that study magnetic and complex-fluid films, both of which play important roles in support of the DOE’s energy mission. The upgrades to the instrument include: A secondary spectrometer that was integrated with a Huber sample goniometer purchased with other funds just prior to the start of our project. The secondary spectrometer provides a flexible length for the scattered flight path, includes a mechanism to select among 3 alternative polarization analyzers as well as a support for new neutron detectors. Also included is an optic rail for reproducible positioning of components for Spin Echo Scattering Angle Measurement (SESAME). The entire secondary spectrometer is now non-magnetic, as required for neutron Larmor labeling. • A broad-band neutron polarizer for the incident neutron beam based on the V geometry. • A wide-angle neutron polarization analyzer • A 2d position-sensitive neutron detector • Electromagnetic coils (Wollaston prisms) for SESAME plus the associated power supplies, cooling, safety systems and integration into the data acquisition system. The upgrades allowed a nearly effortless transition between configurations required to serve the polarized neutron reflectometry community, users of the 11 T cryomagnet and users of SESAME.

36 MATERIALS SCIENCE↗

Self-Assembling Biological Springs Force Transducers on the Micron Nanoscale

In this project, we are developing a new system for measuring forces within and between nanoscale biological molecules based on mesoscopic springs made of cholesterol helical ribbons. These ribbons self-assemble in a wide variety of complex fluids containing sterol, a mixture of surfactants and water [1] and have spring constants in the range from 0.5 to 500 pN/nm [2-4]. By the end of this project, we have demonstrated that the cholesterol helical ribbons can be used for measuring forces between biological objects and for mapping the strain fields in hydrogels.

59 BASIC BIOLOGICAL SCIENCES↗

Neutron and X-Ray Scattering Studies of New Green Cement, and Nanoconfined Water

This is the Final report on DE-FG02-90ER45429 for the time period from September 1, 1990 to May 31, 2017. The Principal Investigator is Sow-Hsin Chen, Department of Nuclear Science and Engineering, Massachusetts Institute of Technology (MIT), Cambridge, MA 02139 (email: sowhsin@mit.edu). The Administrative Point of Contact at MIT is Sarah Svenson, Senior Contract Administrator, Office of Sponsored Programs, Tel: 617-253-2495, ssvenson@mit.edu. The DOE Program is the Office of Basic Energy Sciences (BES); Program manager is Dr. P. Thiyagarajan, Neutron Scattering SC-22.2/, Germantown Bldg., Germantown, MD 20874 . During these 27 years, the scientific activities has had a number developing emphases, as reflected from the change of Project Title in 1990 as “Construction of a Small Angle Neutron Scattering Spectrometer for Investigation of Microemulsions and Micellar Solutions in Bulk, in Porous Materials...” to “Neutron and X-Ray Scattering Studies of New Green Cement, and Nanoconfined Water” in the last renewal period, 2015-2017, with many title changes in between. Progress Report for each sub-project period was reported to DOE with detailed activity and budgetary reports. It is fair to summary that the chief activity has been in the use neutron, x-ray and laser spectroscopy to investigate materials properties of complex fluids and soft condensed matter. It started with conducting neutron and X-ray scattering experiments to study the structure and dynamics of glass-forming liquids in general first, then more specifically in the case of supercooled water in confined geometry, and culminating in the final study of new green cement. Experiments were conducted at various DOE supported national neutron facilities including ORNL, ANL, BNL and Los Alamos, as well as at NIST/NCNR. Whenever possible, experiments were also performed at numerous world-class facilities, such as those at Saclay and the Institut Laue Langevin (ILL) in Grenoble, France, and at National Synchrotron Radiation Research Center (NSRRC) in recent years in Taiwan, etc. Leveraging on the large number of international collaborate activities, a substantial percentage of activities were supported with collaborators’ own funding sources. These have help to carry out DOE’s mission and produce impressive research products far beyond what was possible with only DOE funding supports. The chief product during this period, 1990-2017, includes (1) Three hundred and eight scientific articles published in peer-reviewed and high-impacted scientific journals during 1990-2017, and a dozen monographs including four books for scientists and graduate students, (2) Twenty-four scientific conferences organized and 209 papers presented at many national and international conferences, (3) educate and train 9 post-doctoral fellows and 28 students including 22 Ph.D. students, 3 M.S. students, and 3 in other categories by providing a research experience in neutron and X-Ray scattering techniques, most of them were supported wholly or in part in the scientific topic of this award during the funding period and (4) numerous high-visibility awards and honors. This final report summarizes and details these research activities and products. At the close of this funding period, the fund from DOE has been totally spent.

07 ISOTOPE AND RADIATION SOURCES↗

Report of a Workshop on Nuclear Forces and Nonproliferation Woodrow Wilson International Center for Scholars, Washington, DC November 30, 2017

At a time which some view as the end of the post-Cold War era, geopolitics is increasingly fluid, complex and dangerous, including Russian and Chinese modernization of their nuclear and conventional forces nuclear and their increasingly aggressive foreign policies; North Korean nuclear and missile tests and provocations; Iran’s missile tests, regional ambitions and support for terrorism; Syria’s civil war and use of chemical weapons; and the growing global threat of Islamic terrorism. In this new security environment, potential adversaries are emboldened. Allies are reacting to more concrete and tangible threats. They are demanding greater assurances and, in some cases, questioning the credibility of the guarantees we offer and debating the pursuit of nuclear arms in ways we have not seen since the Treaty on the Nonproliferation of Nuclear Weapons (NPT) was created.

98 NUCLEAR DISARMAMENT, SAFEGUARDS, AND PHYSICAL P↗

Electrochemical aptamer-based sensors: leveraging the sensing platform for minimally-invasive microneedle measurements and fundamental exploration of sensor biofouling dynamics

The ability to track the concentrations of specific molecules in the body in real time would significantly improve our ability to study, monitor, and respond to diseases. To achieve this, we require sensors that can withstand the complex environment inside the body. Electrochemical aptamer-based sensors are particularly promising for in vivo sensing, as they are among the only generalizable sensing technologies that can achieve real-time molecular monitoring directly in blood and the living body. In this project, we first focused on extending the application space of aptamer sensors to support minimally-invasive wearable measurements. To achieve this, we developed individually-addressable sensors with commercial off-the-shelf microneedles. We demonstrated sensor function in buffer, blood, and porcine skin (a common proxy for human skin). In addition to the applied sensing project, we also worked to improve fundamental understanding of the aptamer sensing platform and how it responds to biomolecular interferents. Specifically, we explored the interfacial dynamics of biofouling – a process impacting sensors placed in complex fluids, such as blood.

59 BASIC BIOLOGICAL SCIENCES↗

Bubble Mass Transport Measurement in the Large-Scale Test Loops at Oak Ridge National Laboratory

Molten salts are complex fluids that incorporate multi-phase behavior depending on the chemistry and the physical properties of the entrained components. These components include the carrier salt, the actinide fuel, and fission, activation, and corrosion products, the concentrations of which depends on the burnup history of the salt. Radionuclide transport from the salt into the cover gas / off-gas system depends on volatility as predicted by thermochemistry, but data from the Molten Salt Reactor Experiment (MSRE) conducted in the late 1960s suggest that bubble formation and transport are also important. Anomalously high fractions of noble metals were found in the off-gas system and were attributed to transportation with parent salt aerosols and their association with rising noble gas bubbles. The prediction of such phenomena requires coupled neutronic, thermal hydraulic, and chemical equilibrium calculations, the framework of which is being developed within the Nuclear Energy Advanced Modeling and Simulation (NEAMS) program supported by the US Department of Energy (DOE) Office of Nuclear Energy (NE). However, separate effects tests and models of experiments using tools such as SAM and Thermochimica can guide model developers through important processes. Conversely, model development guides the choice of experiments and systems to provide data that are relevant for validation. This report describes several experiments that tracked gas transport in molten salts, ranging from small-scale systems to large-scale loops. Gas transportation in a molten salt, LiCl-KCl, has been studied using the shadowgraph technique. Sensors such as residual gas analysis, Raman spectroscopy, and laser-induced breakdown spectroscopy have been tested for off-gas measurements. These data were used to interpret how the gases move through the upstream salt / cover gas and the interface between them. Differential pressure measurements were able to detect individual gas bubbles as they popped at the liquid–gas interface. Salt aerosols were collected on a cascade impactor. Their formation was also observed directly via the shadowgraph method, and most of these aerosols were launched ballistically into the cover gas. Fine mists could also be observed. Convection currents through the salt were visualized and can be used to calculate the thermophysical properties of the salt itself. The apparatuses described in this report and in a previous work (McFarlane et al. 2023) have been commissioned and are available for use in making further measurements of salt/surrogate fission product behavior. Novel approaches using neutron imaging are planned for the study of fluoride salts, which cannot be contained in quartz, so shadowgraph visualization is not available. Bubble transport in convective flow and in a slow-moving salt column are planned. The mobile laser-induced breakdown spectroscopy (LIBS) system is available for several applications, including iodine capture in a molten hydroxide scrubber, H2 transport though molten salts to complement Raman analysis, and online tracking of salt aerosol generation, transport, and deposition. This report summarizes the findings from FY24 and the plans for FY25. The work completes milestone M2AT-24OR0702013 of the DOE-NE Advanced Reactor Technology, Molten Salt Reactor Campaign, DOE-NE-5.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

Temperature Measurements in Hypersonic Wind Tunnels via Femtosecond Coherent Anti-Stokes Raman Scattering

A femtosecond coherent anti-Stokes Raman scattering (fs CARS) instrument is developed to perform gas-phase thermometry in cold-flow hypersonic wind tunnels. Measurements are reported for Mach 8 and 14 pure-nitrogen flows. The fs CARS instrument includes a 100 fs pump/Stokes pulse and a spectrally narrow probe pulse from a second harmonic bandwidth compressor. Important experimental considerations such as limits on the pump/Stokes pulse energy are discussed. The fs CARS focusing and collimating optics are mounted on a two-axis translation stage system to scan the measurement location during a 30 second wind tunnel run. Single-laser-shot rotational CARS spectra are recorded at the laser repetition rate of 1 kHz in the wind tunnel freestream and near simple cone models. Spectral fitting is used to determine quantitative gas temperatures. Freestream temperatures at Mach 8 and 14 spanned ranges of 40–75 and 35–50 K, respectively, depending on tunnel operating conditions. Temperature variations across the central 100 mm span of the wind tunnel were quantified. Measured temperature jumps across conical bow shocks from various models varied by less than 1% from predicted values. Hypersonic boundary layer measurements were demonstrated. In conclusion, these measurements illustrate the utility and robustness of this instrument for the study of complex fluid flow phenomena in challenging ground test facilities.

Aerodynamics↗

Evaluation of obstacle modelling approaches for resource assessment and small wind turbine siting: case study in the northern Netherlands

Abstract. Growth in adoption of distributed wind turbines for energy generation is significantly impacted by challenges associated with siting and accurate estimation of the wind resource. Small turbines, at hub heights of 40 m or less, are greatly impacted by terrestrial obstacles such as built structures and vegetation that can cause complex wake effects. While some progress in high-fidelity complex fluid dynamics (CFD) models has increased the potential accuracy for modelling the impacts of obstacles on turbulent wind flow, these models are too computationally expensive for practical siting and resource assessment applications. To understand the efficacy of available models in situ, this study evaluates classic and commonly used methods alongside new state-of-the-art lower-order models derived from CFD simulations and machine learning approaches. This evaluation is conducted using a subset of an extensive original dataset of measurements from more than 300 operational wind turbines in the northern Netherlands. The results show that data-driven methods (e.g. machine learning and statistical modelling) are most effective at predicting production at real sites with an average error in annual energy production of 2.5 %. When sufficient data may not be available de novo to support these data-driven approaches, models derived from high-fidelity simulations show promise and reliably outperform classic methods. On average these models have 6.3 %–11.5 % error compared with 26 % for classic methods and 27 % baseline error for reanalysis data without obstacle correction. While more performant on average, these methods are also sensitive to the quality of obstacle descriptions and reanalysis inputs.

17 WIND ENERGY↗

Turbulent transport model of a thunderstorm gust front

A second-order closure turbulent model is adopted to predict complex fluid flows; few a priori assumptions about the internal turbulent and mean flow structures are required. The flow simulations are applied to the analysis of local gust fronts generated by rain-cooled outflows from severe thunderstorms. Results of the simulations provide a means for discussing the behavior of an aircraft passing through a thunderstorm-related downdraft.

Teske, M. E.↗

A three-dimensional adaptive grid method

A three-dimensional solution-adaptive-grid scheme is described which is suitable for complex fluid flows. This method, using tension and torsion spring analogies, was previously developed and successfully applied for two-dimensional flows. In the present work, a collection of three-dimensional flow fields are used to demonstrate the feasibility and versatility of this concept to include an added dimension. Flow fields considered include: (1) supersonic flow past an aerodynamic afterbody with a propulsive jet at incidence to the free stream, (2) supersonic flow past a blunt fin mounted on a solid wall, and (3) supersonic flow over a bump. In addition to generating three-dimensional solution-adapted grids, the method can also be used effectively as an initial grid generator. The utility of the method lies in: (1) optimum distribution of discrete grid points, (2) improvement of accuracy, (3) improved computational efficiency, (4) minimization of data base sizes, and (5) simplified three-dimensional grid generation.

Nakahashi, K.↗

Water tunnels

Some of the uses of water tunnels are demonstrated through the description of the NASA Ames-Dryden Flow Visualization Facility. It is concluded that water tunnels are capable of providing a quick and inexpensive means of flow visualization and can aid in the understanding of complex fluid mechanics phenomena.

Bjarke, Lisa J.↗

A laser fluorescence anemometer system for the Langley 16- by 24-inch water tunnel

A laser fluorescence anemometer which comprises a three-component laser Doppler velocimeter system with a fourth channel to measure fluorescent dye concentration has been installed in the NASA Langley 16- by 24-in water tunnel. The system includes custom designed optics, data acquisition, and traverse control instruments and a custom software package. Feasibility studies demonstrated how water tunnels can be used in conjunction with advanced optical techniques to provide nonintrusive detailed flow field measurements of complex fluid flows with a minimum of expense. The measurements show that the laser fluorescence anemometer can provide new insight into the structure, entrainment, control and of mixing vortical and shear layer flows.

Owen, F. K.↗

The virtual wind tunnel

Consideration is given to the design and implementaion of a virtual environment linked to a graphics workstation for the visualization of complex fluid flows. The user wears a stereo head-tracked display which displays 3D information and an instrumented glove to intuitively position flow-visualization tools. The idea is to create for the user an illusion that he or she is actually in the flow manipulating visualization tools. The user's presence does not disturb the flow so that sensitive flow areas can be easily investigated. The flow is precomputed and can be investigated at any length scale and with control over time. Particular attention is given to the visualization structures and their interfaces in the virtual environment, hardware and software, and the performance of the virtual wind tunnel using flow past a tapered cylinder as an example.

Bryson, Steve↗

Optimization of contoured hypersonic scramjet inlets with a least-squares parabolized Navier-Stokes procedure

A new optimization procedure, in which a parabolized Navier-Stokes solver is coupled with a non-linear least-squares optimization algorithm, is applied to the design of a Mach 14, laminar two-dimensional hypersonic subscale flight inlet with an internal contraction ratio of 15:1 and a length-to-throat half-height ratio of 150:1. An automated numerical search of multiple geometric wall contours, which are defined by polynomical splines, results in an optimal geometry that yields the maximum total-pressure recovery for the compression process. Optimal inlet geometry is obtained for both inviscid and viscous flows, with the assumption that the gas is either calorically or thermally perfect. The analysis with a calorically perfect gas results in an optimized inviscid inlet design that is defined by two cubic splines and yields a mass-weighted total-pressure recovery of 0.787, which is a 23% improvement compared with the optimized shock-canceled two-ramp inlet design. Similarly, the design procedure obtains the optimized contour for a viscous calorically perfect gas to yield a mass-weighted total-pressure recovery value of 0.749. Additionally, an optimized contour for a viscous thermally perfect gas is obtained to yield a mass-weighted total-pressure recovery value of 0.768. The design methodology incorporates both complex fluid dynamic physics and optimal search techniques without an excessive compromise of computational speed; hence, this methodology is a practical technique that is applicable to optimal inlet design procedures.

Korte, J. J.↗

Aerodynamic simulation on massively parallel systems

This paper briefly addresses the computational requirements for the analysis of complete configurations of aircraft and spacecraft currently under design to be used for advanced transportation in commercial applications as well as in space flight. The discussion clearly shows that massively parallel systems are the only alternative which is both cost effective and on the other hand can provide the necessary TeraFlops, needed to satisfy the narrow design margins of modern vehicles. It is assumed that the solution of the governing physical equations, i.e., the Navier-Stokes equations which may be complemented by chemistry and turbulence models, is done on multiblock grids. This technique is situated between the fully structured approach of classical boundary fitted grids and the fully unstructured tetrahedra grids. A fully structured grid best represents the flow physics, while the unstructured grid gives best geometrical flexibility. The multiblock grid employed is structured within a block, but completely unstructured on the block level. While a completely unstructured grid is not straightforward to parallelize, the above mentioned multiblock grid is inherently parallel, in particular for multiple instruction multiple datastream (MIMD) machines. In this paper guidelines are provided for setting up or modifying an existing sequential code so that a direct parallelization on a massively parallel system is possible. Results are presented for three parallel systems, namely the Intel hypercube, the Ncube hypercube, and the FPS 500 system. Some preliminary results for an 8K CM2 machine will also be mentioned. The code run is the two dimensional grid generation module of Grid, which is a general two dimensional and three dimensional grid generation code for complex geometries. A system of nonlinear Poisson equations is solved. This code is also a good testcase for complex fluid dynamics codes, since the same datastructures are used. All systems provided good speedups, but message passing MIMD systems seem to be best suited for large miltiblock applications.

Haeuser, Jochem↗

Numerical Study of Magnetic Damping During Unidirectional Solidification

A fully 3-D numerical model is developed to represent magnetic damping of complex fluid flow, heat transfer and electromagnetic field distributions in a melt cavity. The model is developed based on our in-house finite element code for the fluid flow, heat transfer and electromagnetic field calculations. The computer code has been tested against benchmark test problems that are solved by other commercial codes as well as analytical solutions whenever available. The numerical model is tested against numerical and experimental results for water reported in literature. With the model so tested, various numerical simulations are carried out for the Sn-35.5% Pb melt convection and temperature distribution in a cylindrical cavity with and without the presence of a transverse magnetic field. Numerical results show that magnetic damping can be effectively applied to reduce turbulence and flow levels in the melt undergoing solidification and over a certain threshold value a higher magnetic field resulted in a higher velocity reduction. It is found also that for a fully 3-D representation of the magnetic damping effects, the electric field induced in the melt by the applied DC magnetic field does not vanish, as some researchers suggested, and must be included even for molten metal and semiconductors. Also, for the study of the melt flow instability, a long enough time has to be applied to ensure the final fluid flow recirculation pattern. Moreover, our numerical results suggested that there seems to exist a threshold value of applied magnetic field, above which magnetic damping becomes possible and below which the convection in the melt is actually enhanced. Because of the limited financial resource allocated for the project, we are unable to carry out extensive study on this effect, which should warrant further theoretical and experimental study. In that endeavor, the developed numerical model should be very useful; and the model should serve as a useful tool for exploring necessary design parameters for planning magnetic damping experiments and interpreting the experimental results.

Li, Ben Q.↗