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At least 523 records · Page 29

High-Flow PMR-Polymide Composites Developed With Mechanical Properties Comparable to Other High-Temperature Systems

PMR polyimides, in particular PMR-15, are well known for their excellent high-temperature stability and performance, and solvent resistance. However, the processing of these materials is limited, for the most part, to prepreg-based methods, such as compression or autoclave processing. These methods involve substantial amounts of hand labor, and as a result, manufacturing costs for components made from PMR polyimides can be high. In cost-sensitive applications, these high manufacturing costs can make the use of PMR polyimide-based components cost prohibitive. Lower cost manufacturing methods, such as resin transfer molding (RTM) and resin film infusion, have been demonstrated to reduce manufacturing costs by as much as 50 percent over prepreg-based methods. However, these processes are only amenable to materials with melt viscosities below 30 poise. Most PMR polyimides have melt viscosities on the order of 100 poise or higher. Recent efforts at the NASA Glenn Research Center have focused on chemical modifications to PMR polyimides to reduce their melt viscosity to the point where they could be processed by these low-cost manufacturing methods without adversely affecting their high-temperature properties and performance. These efforts have led to a new family of PMR polyimides that have melt viscosities significantly lower than that of PMR-15. Reductions in melt viscosity are brought about through the introduction of molecular twists in the polymer backbone. Carbon fiber (T650- 35) composites were prepared from one of these polyimides, designated PMR-Flex, by compression molding. The properties of these composites are presented below and compared with comparable composites made from PMR-15 and PETI-RTM, a new low-melt-viscosity polyimide.

Meador, Michael A.↗

Shear Strength and Release of Large Cryogenic Pellets from the Barrel of a Shattered Pellet Injector for Disruption Mitigation

Shattered pellet injection (SPI) has been chosen as the baseline disruption mitigation system on ITER due to its ability to rapidly inject material deep into the plasma to greatly increase the plasma density and radiate the thermal energy. SPI utilizes a mechanical punch or high-pressure gas to release and accelerate a pellet that has been cryogenically desublimated in the barrel of a pipe gun. Various material injection combinations could possibly be implemented during different phases of a disruption event to radiate plasma energy, reduce electromagnetic loads on machine components, avoid the formation of runaway electrons, or to dissipate runaway electrons that form. Each injection phase could possibly utilize combinations of deuterium, neon, or argon. In this paper we outline experimental measurements of pellet material shear strength at SPI operating temperatures to understand the force needed to release SPI pellets. Deuterium, neon, argon, and deuterium-neon mixture pellets with diameters of 8.5, 12.5, and 15.7 mm are formed at a range of relevant gas pressures and temperatures and dislodged from the cold zone with a slow-moving piston driven by a motor. The slow-moving piston is kept above the triple point temperature of the material while the pellet is forming, then cooled to below the triple point temperature before contacting the pellet to minimize any thermal conduction to the pellet. The piston incorporates a load cell to measure the force applied when the pellet breaks away from the cold zone in the barrel.The ability of the gas and punch methods to exceed the shear strength of the studied pellet materials for release has been analyzed. High pressure gas delivered by fast opening valves produce pressure shock to the pellet due to supersonic expansion of the propellant gas. Pressure (and therefore, force) oscillations are present due to transverse density propagation throughout the breech volume. Mechanical punches deliver an impact force through a high-kinetic energy impact. The effect of the mechanical shock on the pellet has been explored and will be presented in this paper. Scaling to larger ITER size SPI pellets will be described.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Determining the effects of microsphere and surrounding material composition on {sup 90}Y dose kernels using egsnrc and mcnp5

Purpose: Recent advances in the imaging of {sup 90}Y using positron emission tomography (PET) and improved uncertainty in the branching ratio for the internal pair production component of {sup 90}Y decay allow for a more accurate determination of the activity distribution of {sup 90}Y microspheres within a patient. This improved activity distribution can be convolved with the dose kernel of {sup 90}Y to calculate the dose distribution within a patient. This work investigates the effects of microsphere and surrounding material composition on {sup 90}Y dose kernels using egsnrc and mcnp5 and compares the results of these two transport codes. Methods: Monte Carlo simulations were performed with egsnrc and mcnp5 to calculate the dose rate at multiple radial distances around various {sup 90}Y sources. Point source simulations were completed with mcnp5 to determine the optimal electron transport settings for this work. After determining the optimal settings, point source simulations were completed using egsnrc (user code edknrc) and mcnp5 in water and liver [as defined by the International Commission on Radiation Units and Measurements (ICRU) Report 44]. The results were compared to ICRU Report 72 reference data. Point source simulations were also completed in water with a density of 1.06 g{center_dot}cm{sup -3} to evaluate the effect of the density of the surrounding material. Glass and resin microsphere simulations were performed with average and maximum diameter and density values (based on values given in the literature) in water and in liver. The results were compared to point source simulation results using the same transport code and in the same surrounding material. All simulations had statistical uncertainties less than 1%. Results: The optimal transport settings in mcnp5 for this work included using the energy-and step-specific algorithm (DBCN 17J 2) and ESTEP set to 10. These settings were used for all subsequent simulations with mcnp5. The point source simulations in water for both egsnrc and mcnp5 were found to agree within 2% of the ICRU 72 reference data over the investigated range. Point source simulations in liver had large differences relative to ICRU 72, approaching -60% near the maximum range of {sup 90}Y. These differences are mostly attributed to the difference in density between water (1.0 g{center_dot}cm{sup -3}) and liver (1.06 g{center_dot}cm{sup -3}). Glass and resin microsphere simulations showed a slight decrease in the dose rate near the maximum range of {sup 90}Y relative to the point source simulations. The largest relative differences were approximately -4.2% and -2.8% for the glass and resin microspheres, respectively. Agreement between the egsnrc and mcnp5 simulations results was generally good. Conclusions: The presence of the microsphere material causes slight differences in the {sup 90}Y dose kernel compared to those calculated with point sources. Large differences were seen between simulations in water and those in liver. For the most accurate calculation of the dose distribution, the density of the patient's liver should be accounted for in the calculation of the dose kernel. Lastly, due to the need to determine the optimal transport settings with mcnp5, electron transport with this code should be used with caution.

61 RADIATION PROTECTION AND DOSIMETRY↗

Investigation of historical metal objects using Laser Induced Breakdown Spectroscopy (LIBS) technique

Analysis of metal objects is a necessary step for establishing an appropriate conservation treatment of an object or to follow up the application's result of the suggested treatments. The main considerations on selecting a method that can be used in investigation and analysis of metal objects are based on the diagnostic power, representative sampling, reproducibility, destructive nature/invasiveness of analysis and accessibility to the appropriate instrument. This study aims at evaluating the usefulness of the use of Laser Induced Breakdown Spectroscopy (LIBS) Technique for analysis of historical metal objects. In this study various historical metal objects collected from different museums and excavations in Egypt were investigated using (LIBS) technique. For evaluating usefulness of the suggested analytical protocol of this technique, the same investigated metal objects were investigated by other methods such as Scanning Electron Microscope with energy-dispersive x-ray analyzer (SEM-EDX) and X-ray Diffraction (XRD). This study confirms that Laser Induced Breakdown Spectroscopy (LIBS) Technique is considered very useful technique that can be used safely for investigating historical metal objects. LIBS analysis can quickly provide information on the qualitative and semi-quantitative elemental content of different metal objects and their characterization and classification. It is practically non-destructive technique with the critical advantage of being applicable in situ, thereby avoiding sampling and sample preparations. It is can be dependable, satisfactory and effective method for low cost study of archaeological and historical metals. But we have to take into consideration that the corrosion of metal leads to material alteration and possible loss of certain metals in the form of soluble salts. Certain corrosion products are known to leach out of the object and therefore, their low content does not necessarily reflect the composition of the metal at the time of the object manufacture. Another point should be taken into consideration that the heterogeneity of a metal alloy object that often result from poor mixing of the different metal alloy composition.There is a necessity to carry out further research to investigate and determine the most appropriate and effective approaches and methods for conservation of these metal objects.

36 MATERIALS SCIENCE↗

Towards automating structural discovery in scanning transmission electron microscopy *

Abstract Scanning transmission electron microscopy is now the primary tool for exploring functional materials on the atomic level. Often, features of interest are highly localized in specific regions in the material, such as ferroelectric domain walls, extended defects, or second phase inclusions. Selecting regions to image for structural and chemical discovery via atomically resolved imaging has traditionally proceeded via human operators making semi-informed judgements on sampling locations and parameters. Recent efforts at automation for structural and physical discovery have pointed towards the use of ‘active learning’ methods that utilize Bayesian optimization with surrogate models to quickly find relevant regions of interest. Yet despite the potential importance of this direction, there is a general lack of certainty in selecting relevant control algorithms and how to balance a priori knowledge of the material system with knowledge derived during experimentation. Here we address this gap by developing the automated experiment workflows with several combinations to both illustrate the effects of these choices and demonstrate the tradeoffs associated with each in terms of accuracy, robustness, and susceptibility to hyperparameters for structural discovery. We discuss possible methods to build descriptors using the raw image data and deep learning based semantic segmentation, as well as the implementation of variational autoencoder based representation. Furthermore, each workflow is applied to a range of feature sizes including NiO pillars within a La:SrMnO 3 matrix, ferroelectric domains in BiFeO 3 , and topological defects in graphene. The code developed in this manuscript is open sourced and will be released at github.com/nccreang/AE_Workflows .

47 OTHER INSTRUMENTATION↗

Calculating the dissociation chemistry and equation of state properties of materials [Slides]

Many experimental techniques are accurate enough to reveal glaring weaknesses in the material models used by physics codes to design them. This is requiring ever more stringent equation of state (EOS) development. Formerly, EOS models were built using limited gas gun shock data and a few general physics assumptions. With the ever increasing computer power available, we began using density functional theory (DFT) to approximate other EOS regimes such as the principal isentrope, critical point, and sometimes melt. With Sequoia, and only because of Sequoia’s capacity, we are now calculating a limited range, general EOS table and then deriving the above EOS properties based on that table, often on a shorter time frame and more thoroughly than we used to compute just the EOS sections listed above. The first project was to calculate a limited range EOS for CO 2 and specifically track the dissociated species present at each density and temperature. We would not see all of the possible species due to our small sample size and limited time, however, we should see the dominant species and general trends. This work was done to support a new, chemistry aware EOS model that is still under development at LANL. The second project was done for two reasons. The first is LANL and SNL are developing a new amorphous SiO 2 EOS for use in hydrocodes. There is extensive principal Hugoniot and isentrope data, but very little lower density data. There is also no real estimate of the critical point so we found the approximate value of that as well. The second reason for lower density SiO 2 is to test a new method for calculating the Hugoniot of porous materials. Because aerogel (low density SiO 2 ) is used extensively in many shock experiments, there was a large data set to compare with. As can be seen in the figure, the new method appears to work well and is tracking the porous Hugoniot within the experimental error bars (not shown). Finally, SNL is developing a new EOS for LiF because we were seeing discrepancies with the SESAME table. DFT has some issues calculating EOS values for LiF, so we will make some corrections, however, our first attempt appears to have very good results which confirm several experimentally seen properties, as seen on the previous slide.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Failure Mechanisms of Hollow Fiber Supported Ionic Liquid Membranes

Hollow fiber supported ionic liquid membranes (SILMs) were tested using the bubble point method to investigate potential failure modes, including the maximum transmembrane pressure before loss of the ionic liquid from the support. Porous hollow fiber supports were fabricated with different pore morphologies using Matrimid® and Torlon® as the polymeric material and 1-hexyl-3-methylimidalzolium bis(trifluoromethylsulfonyl)imide ([C6mim][Tf2N]) as the ionic liquid (IL) component. Hollow fiber SILMs were tested for their maximum pressure before failure, with pressure applied either from the bore side or shell side. It was found that the membranes exhibited one or more of three different modes of failure when pressurized: liquid loss (occurring at the bubble point), rupture, and collapse.

rupture↗

A scalable, matrix-free multigrid preconditioner for finite element discretizations of heterogeneous Stokes flow

In this paper we describe a computational methodology that is specifically designed for studying three-dimensional geodynamic processes governed by heterogeneous visco-plastic Stokes flow. The method employs a hybrid spatial discretization consisting of a View the MathML sourceQ2-P1disc mixed finite element formulation for the Stokes problem, coupled to a material-point formulation which is used for representing material state and history-dependent variables. The applicability and practicality of this methodology is realized through the development of an efficient, scalable and robust variable viscosity Stokes preconditioner. In this work, these objectives are achieved through exploiting matrix-free operators and a geometric multigrid preconditioner employing hybrid coarse level operators, Chebyshev smoothers and hybrid Krylov coarse level solvers. The robustness and parallel efficiency of this strategy is demonstrated using an idealized geodynamic model. Lastly, we apply the new methodology to study geodynamic models of continental rifting and break-up in order to understand the diverse range of passive continental margins we observe on Earth today

Geodynamics↗

Can Drugs Enhance Hypofractionated Radiotherapy? A Novel Method of Modeling Radiosensitization Using In Vitro Data

Purpose: Hypofractionated radiotherapy (hRT) is being explored for a number of malignancies. The potential benefit of giving concurrent chemotherapy with hRT is not known. We sought to predict the effects of combined modality treatments by using mathematical models derived from laboratory data. Methods and Materials: Data from 26 published clonogenic survival assays for cancer cell lines with and without the use of radiosensitizing chemotherapy were collected. The first three data points of the RT arm of each assay were used to derive parameters for the linear quadratic (LQ) model, the multitarget (MT) model, and the generalized linear quadratic (gLQ) model. For each assay and model, the difference between the predicted and observed surviving fractions at the highest tested RT dose was calculated. The gLQ model was fitted to all the data from each RT cell survival assay, and the biologically equivalent doses in 2-Gy fractions (EQD2s) of clinically relevant hRT regimens were calculated. The increase in cell kill conferred by the addition of chemotherapy was used to estimate the EQD2 of hRT along with a radiosensitizing agent. For comparison, this was repeated using conventionally fractionated RT regimens. Results: At a mean RT dose of 8.0 Gy, the average errors for the LQ, MT, and gLQ models were 1.63, 0.83, and 0.56 log units, respectively, favoring the gLQ model (p < 0.05). Radiosensitizing chemotherapy increased the EQD2 of hRT schedules by an average of 28% to 82%, depending on disease site. This increase was similar to the gains predicted for the addition of chemotherapy to conventionally fractionated RT. Conclusions: Based on published in vitro assays, the gLQ equation is superior to the LQ and MT models in predicting cell kill at high doses of RT. Modeling exercises demonstrate that significant increases in biologically equivalent dose may be achieved with the addition of radiosensitizing agents to hRT. Clinical study of this approach is warranted.

62 RADIOLOGY AND NUCLEAR MEDICINE↗

A method for generating moving, orthogonal, area preserving polygonal meshes

A new method for generating locally orthogonal polygonal meshes from a set of generator points is presented in which polygon areas are a constraint. The area constraint property is particularly useful for particle methods where moving polygons track a discrete portion of material. Because Voronoi polygon meshes have some very attractive mathematical and numerical properties for numerical computation, a generalization of Voronoi polygon meshes was formulated that enforces a polygon area constraint. Area constrained moving polygonal meshes allow one to develop hybrid particle-mesh numerical methods that display some of the most attractive features of each approach. It is shown that this mesh construction method can continuously reconnect a moving, unstructured polygonal mesh in a pseudo-Lagrangian fashion without change in cell area/volume, and the method's ability to simulate various physical scenarios is shown. Overall, the advantages are identified for incompressible fluid flow calculations, with demonstration cases that include material discontinuities of all three phases of matter and large density jumps.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Predicting impurity spectral functions using machine learning

The Anderson Impurity Model (AIM) is a canonical model of quantum many-body physics. Here we investigate whether machine learning models, both neural networks (NN) and kernel ridge regression (KRR), can accurately predict the AIM spectral function in all of its regimes, from empty orbital, to mixed valence, to Kondo. To tackle this question, we construct two large spectral databases containing approximately 410 000 and 600 000 spectral functions of the single-channel impurity problem. We show that the NN models can accurately predict the AIM spectral function in all of its regimes, with pointwise mean absolute errors down to 0.003 in normalized units. We find that the trained NN models outperform models based on KRR and enjoy a speedup on the order of 10 5 over traditional AIM solvers. Finally, the required size of the training set of our model can be significantly reduced using farthest point sampling in the AIM parameter space, which is important for generalizing our method to more complicated multichannel impurity problems of relevance to predicting the properties of real materials.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Grain boundary enhanced UN and U 3 Si 2 pellets with improved oxidation resistance

A method of forming a water resistant boundary on a fissile material for use in a water cooled nuclear reactor is described. The method comprises mixing a powdered fissile material selected from the group consisting of UN and U3Si2 with an additive selected from oxidation resistant materials having a melting or softening point lower than the sintering temperature of the fissile material, pressing the mixed fissile and additive materials into a pellet, sintering the pellet to a temperature greater than the melting point of the additive. Alternatively, if the melting point of the oxidation resistant particles is greater than the sintering temperature of UN or U3Si2, then the oxidation resistant particles can have a particle size distribution less than that of the UN or U3Si2.

Lahoda, Edward J.↗

Application of Neutron Detection Third Order Time Correlation

Neutron noise experiments on fissile materials are used to get information such as reactivity, fissile mass, neutron sources, prompt neutron lifetime. One of the more popular methods is based on correlated moments of the neutron counts distribution. The second correlated moment method originally proposed by Feynman was extended to the third order. In this paper we present the application of the third order correlation moments method to SILENE reactor measurements. The third order correlation moments method has been applied to analyse time list mode - subcritical measurements on SILENE reactor in order to evaluate the system subcriticality, The multiplication coefficient is obtained with large statistical uncertainties, but remains consistent with MCNP calculations. To reduce the experimental uncertainties longer measurement time and higher detector efficiency should be necessary. The systematic errors coming from the fission neutron data (moments of the fission neutron distributions) and point model formulas should also be investigated. (author)

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

Effect of doping on electronic properties of HgSe

First principle study of electronic properties of pure and doped HgSe have been performed using all electron Full Potential Linearized Augmented Plane Wave (FP-LAPW) method using ELK code. The electronic exchange and co-relations are considered using Generalized Gradient Approach (GGA). Lattice parameter, Density of States (DOS) and Band structure calculations have been performed. The total energy curve (Energy vs Lattice parameter), DOS and band structure calculations are in good agreement with the experimental values and those obtained using other DFT codes. The doped material is studied within the Virtual Crystal Approximation (VCA) with doping levels of 10% to 25% of electrons (hole) per unit cell. Results predict zero band gap in undopedHgSe and bands meet at Fermi level near the symmetry point Γ. For doped HgSe, we found that by electron (hole) doping, the point where conduction and valence bands meet can be shifted below (above) the fermi level.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Low cost switching circuit for van der Pauw resistivity and Hall measurements at various temperatures

The electrical characterization of materials, particularly superconductors, semiconductors, and those undergoing metal-insulator transitions (MITs), relies significantly on resistivity and Hall measurements as a function of temperature. The van der Pauw four-point probe method is commonly used for such measurements, which involves resistance measurements for different circuit configurations connected to sample contacts. However, repeating these measurements at different temperatures is challenging and time consuming. Here, this study introduces a novel approach utilizing a switching circuit controlled by an Arduino device and a LabVIEW program to automate resistance measurements for different electrical configurations. The effectiveness of this setup was demonstrated by testing V 2 O 3 thin film samples deposited on Al 2 O 3 (001) substrates using DC magnetron sputtering. The MIT temperature of the sample was 115 K during heating and 100 K during cooling. The sample exhibited p-type charge carriers with a Hall coefficient of 1.3 ± 0.1 x 10 -4 cm 3 /C and Hall mobility of 1.7 x 10 -1 cm 2 /V∙s, which is consistent with findings from other studies employing commercial equipment.

36 MATERIALS SCIENCE↗

Atomic scale electron vortices for nanoresearch

Electron vortex beams were only recently discovered and their potential as a probe for magnetism in materials was shown. Here we demonstrate a method to produce electron vortex beams with a diameter of less than 1.2 Angst . This unique way to prepare free electrons to a state resembling atomic orbitals is fascinating from a fundamental physics point of view and opens the road for magnetic mapping with atomic resolution in an electron microscope.

36 MATERIALS SCIENCE↗

Robotically Assisted Sonic Therapy (RAST) for Noninvasive Hepatic Ablation in a Porcine Model: Mitigation of Body Wall Damage with a Modified Pulse Sequence

Purpose: Robotically assisted sonic therapy (RAST) is a nonthermal, noninvasive ablation method based on histotripsy. Prior animal studies have demonstrated the ability to create hepatic ablation zones at the focal point of an ultrasound therapy transducer; however, these treatments resulted in thermal damage to the body wall within the path of ultrasound energy delivery. The purpose of this study was to evaluate the efficacy and safety of a pulse sequence intended to mitigate prefocal body wall injury. Materials and Methods: Healthy swine (n = 6) underwent hepatic RAST (VortxRx software version 1.0.1.3, HistoSonics, Ann Arbor MI) in the right hepatic lobe. A 3.0 cm spherical ablation zone was prescribed for each. Following treatment, animals underwent MRI which was utilized for ablation zone measurement, evaluation of prefocal injury, and assessment of complications. Each animal was euthanized, underwent necropsy, and the tissue was processed for histopathologic analysis of the ablation zone and any other sites concerning for injury. Results: No prefocal injury was identified by MRI or necropsy in the body wall or tissues overlying the liver. Ablation zones demonstrated uniform cell destruction, were nearly spherical (sphericity index = 0.988), and corresponded closely to the prescribed size (3.0 × 3.1 × 3.4 cm, p = 0.70, 0.36, and 0.01, respectively). Ablation zones were associated with portal vein (n = 3, one occlusive) and hepatic vein thrombosis (n = 4, one occlusive); however, bile ducts remained patent within ablation zones (n = 2). Conclusions: Hepatic RAST performed with a modified ultrasound pulse sequence in a porcine model can mitigate prefocal body wall injuries while maintaining treatment efficacy. Further study of hepatic RAST appears warranted, particularly in tumor models.

62 RADIOLOGY AND NUCLEAR MEDICINE↗

SU-C-207A-05: Feature Based Water Equivalent Path Length (WEPL) Determination for Proton Radiography by the Technique of Time Resolved Dose Measurement

Purpose: Studies show that WEPL can be determined from modulated dose rate functions (DRF). However, the previous calibration method based on statistics of the DRF is sensitive to energy mixing of protons due to scattering through different materials (termed as range mixing here), causing inaccuracies in the determination of WEPL. This study intends to explore time-domain features of the DRF to reduce the effect of range mixing in proton radiography (pRG) by this technique. Methods: An amorphous silicon flat panel (PaxScan™ 4030CB, Varian Medical Systems, Inc., Palo Alto, CA) was placed behind phantoms to measure DRFs from a proton beam modulated by a specially designed modulator wheel. The performance of two methods, the previously used method based on the root mean square (RMS) and the new approach based on time-domain features of the DRF, are compared for retrieving WEPL and RSP from pRG of a Gammex phantom. Results: Calibration by T{sub 80} (the time point for 80% of the major peak) was more robust to range mixing and produced WEPL with improved accuracy. The error of RSP was reduced from 8.2% to 1.7% for lung equivalent material, with the mean error for all other materials reduced from 1.2% to 0.7%. The mean error of the full width at half maximum (FWHM) of retrieved inserts was decreased from 25.85% to 5.89% for the RMS and T{sub 80} method respectively. Monte Carlo simulations in simplified cases also demonstrated that the T{sub 80} method is less sensitive to range mixing than the RMS method. Conclusion: WEPL images have been retrieved based on single flat panel measured DRFs, with inaccuracies reduced by exploiting time-domain features as the calibration parameter. The T{sub 80} method is validated to be less sensitive to range mixing and can thus retrieve the WEPL values in proximity of interfaces with improved numerical and spatial accuracy for proton radiography.

60 APPLIED LIFE SCIENCES↗