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Application of p-Multigrid to Discontinuous Galerkin Formulations of the Poisson Equation

We investigate p-multigrid as a solution method for several different discontinuous Galerkin (DG) formulations of the Poisson equation. Different combinations of relaxation schemes and basis sets have been combined with the DG formulations to find the best performing combination. The damping factors of the schemes have been determined using Fourier analysis for both one and two-dimensional problems. One important finding is that when using DG formulations, the standard approach of forming the coarse p matrices separately for each level of multigrid is often unstable. To ensure stability the coarse p matrices must be constructed from the fine grid matrices using algebraic multigrid techniques. Of the relaxation schemes, we find that the combination of Jacobi relaxation with the spectral element basis is fairly effective. The results using this combination are p sensitive in both one and two dimensions, but reasonable convergence rates can still be achieved for moderate values of p and isotropic meshes. A competitive alternative is a block Gauss-Seidel relaxation. This actually out performs a more expensive line relaxation when the mesh is isotropic. When the mesh becomes highly anisotropic, the implicit line method and the Gauss-Seidel implicit line method are the only effective schemes. Adding the Gauss-Seidel terms to the implicit line method gives a significant improvement over the line relaxation method.

Helenbrook, B. T.↗

Heart Rate Response During Mission-Critical Tasks After Space Flight

Adaptation to microgravity could impair crewmembers? ability to perform required tasks upon entry into a gravity environment, such as return to Earth, or during extraterrestrial exploration. Historically, data have been collected in a controlled testing environment, but it is unclear whether these physiologic measures result in changes in functional performance. NASA?s Functional Task Test (FTT) aims to investigate whether adaptation to microgravity increases physiologic stress and impairs performance during mission-critical tasks. PURPOSE: To determine whether the well-accepted postflight tachycardia observed during standard laboratory tests also would be observed during simulations of mission-critical tasks during and after recovery from short-duration spaceflight. METHODS: Five astronauts participated in the FTT 30 days before launch, on landing day, and 1, 6, and 30 days after landing. Mean heart rate (HR) was measured during 5 simulations of mission-critical tasks: rising from (1) a chair or (2) recumbent seated position followed by walking through an obstacle course (egress from a space vehicle), (3) translating graduated masses from one location to another (geological sample collection), (4) walking on a treadmill at 6.4 km/h (ambulation on planetary surface), and (5) climbing 40 steps on a passive treadmill ladder (ingress to lander). For tasks 1, 2, 3, and 5, astronauts were encouraged to complete the task as quickly as possible. Time to complete tasks and mean HR during each task were analyzed using repeated measures ANOVA and ANCOVA respectively, in which task duration was a covariate. RESULTS: Landing day HR was higher (P < 0.05) than preflight during the upright seat egress (7%+/-3), treadmill walk (13%+/-3) and ladder climb (10%+/-4), and HR remained elevated during the treadmill walk 1 day after landing. During tasks in which HR was not elevated on landing day, task duration was significantly greater on landing day (recumbent seat egress: 25%+/-14 and mass translation: 26%+/-12; P < 0.05). CONCLUSION: Elevated HR and increased task duration during postflight simulations of mission-critical tasks is suggestive of spaceflight-induced deconditioning. Following short-duration microgravity missions (< 16 d), work performance may be transiently impaired, but recovery is rapid.

Arzeno, Natalia M.↗

Endovascular Stroke Therapy with a Novel 6-French Aspiration Catheter

Background and Purpose: Direct thrombus aspiration is increasingly used as a first-line therapy in acute ischemic stroke with large vessel occlusion. We assessed the performance and safety of a novel aspiration catheter available: the 6-French AXS Catalyst catheter. Materials and Methods: We conducted a cohort study from a prospective clinical registry of consecutive stroke patients treated by mechanical thrombectomy between March 2016 and July 2016. Baseline clinical and imaging characteristics, recanalization rates, complications, and clinical outcomes were analyzed. Results: Among the 60 patients included, 30 were treated using aspiration alone, 14 were treated using aspiration and then stent retriever as a rescue therapy, and 16 were treated using aspiration combined with a stent retriever straightaway. Successful recanalization (mTICI2b/3) was achieved in 85% patients and functional independence in 48.3%. We observed one intracranial perforation and one vertebral artery dissection. Symptomatic intracranial hemorrhage occurred in 5% and mortality in 21.7%. Conclusion: Endovascular stroke therapy using the AXS Catalyst catheter seems safe and effective, with similar performance than other reperfusion catheters.

62 RADIOLOGY AND NUCLEAR MEDICINE↗

Estimating the joint distribution of rate parameters across multiple reactions in the absence of experimental data

Here, a procedure for determining the joint uncertainty of Arrhenius parameters across multiple combustion reactions of interest is demonstrated. This approach is capable of constructing the joint distribution of the Arrhenius parameters arising from the uncertain measurements performed in specific target experiments without having direct access to the underlying experimental data. The method involves constructing an ensemble of hypothetical data sets with summary statistics consistent with the available information reported by the experimentalists, followed by a fitting procedure that learns the structure of the joint parameter density across reactions using this consistent hypothetical data as evidence. The procedure is formalized in a Bayesian statistical framework, employing maximum-entropy and approximate Bayesian computation methods and utilizing efficient Markov chain Monte Carlo techniques to explore data and parameter spaces in a nested algorithm. We demonstrate the application of the method in the context of experiments designed to measure the rates of selected chain reactions in the H 2 -O 2 system and highlight the utility of this approach for revealing the critical correlations between the parameters within a single reaction and across reactions, as well as for maximizing consistency when utilizing rate parameter information in predictive combustion modeling of systems of interest.

97 MATHEMATICS AND COMPUTING↗

Automation of Active Space Selection for Multireference Methods via Machine Learning on Chemical Bond Dissociation

Predicting and understanding the chemical bond is one of the major challenges of computational quantum chemistry. Kohn–Sham density functional theory (KS-DFT) is the most common method, but approximate density functionals may not be able to describe systems where multiple electronic configurations are equally important. Multiconfigurational wave functions, on the other hand, can provide a detailed understanding of the electronic structures and chemical bonds of such systems. In the complete active space self-consistent field (CASSCF) method, one performs a full configuration interaction calculation in an active space consisting of active electrons and active orbitals. However, CASSCF and its variants require the selection of these active spaces. This choice is not black box; it requires significant experience and testing by the user, and thus active space methods are not considered particularly user-friendly and are employed only by a minority of quantum chemists. Our goal is to popularize these methods by making it easier to make good active space choices. Here, we present a machine learning protocol that performs an automated selection of active spaces for chemical bond dissociation calculations of main group diatomic molecules. The protocol shows high prediction performance for a given target system as long as a properly correlated system is chosen for training. Good active spaces are correctly predicted with a considerably better success rate than random guess (larger than 80% precision for most systems studied). Our automated machine learning protocol shows that a “black-box” mode is possible for facilitating and accelerating the large-scale calculations on multireference systems where single-reference methods such as KS-DFT cannot be applied.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Gamma-ray spectroscopic characterization of long, rapidly-grown KSr 2 I 5 :Eu crystals

Collimation and volumetric studies were done to evaluate the gamma-ray spectroscopic performance of KSr 2 I 5 :Eu scintillators grown via the vertical Bridgman method. To demonstrate practical crystal growth for large-scale production, Ø1 in. × 6 in. long crystals were grown using fast pulling rates up to 5 mm/h and short cooling times. The long crystals were sectioned into shorter Ø1 in. cylinders to investigate sample-to-sample variation of scintillation properties, the effects of self-absorption and scintillation non-uniformity using different gamma-ray excitation configurations. The best light output and energy resolution achieved for the largest volume and aspect ratio crystals (60 cm 3 Ø1 in x 4.7 in. long) were 53,500 ph/MeV and 4.6% at 662 keV. Finally, we produced eight Ø1 in. × 1 in. (12.5 cm 3 ) cylindrical samples, four from each boule, with energy resolutions between 3.1%-3.5% at 662 keV.

36 MATERIALS SCIENCE↗

Accelerating FEM-Based Corrosion Predictions Using Machine Learning

Atmospheric corrosion of metallic parts is a widespread materials degradation phenomena that is challenging to predict given its dependence on many factors (e.g. environmental, physiochemical, and part geometry). For materials with long expected service lives, accurately predicting the degree to which corrosion will degrade part performance is especially difficult due to the stochastic nature of corrosion damage spread across years or decades of service. The Finite Element Method (FEM) is a computational technique capable of providing accurate estimates of corrosion rate by numerically solving complex differential Eqs. characterizing this phenomena. Nevertheless, given the iterative nature of FEM and the computational expense required to solve these complex equations, FEM is ill-equipped for an efficient exploration of the design space to identify factors that accelerate or deter corrosion, despite its accuracy. In this work, a machine learning based surrogate model capable of providing accurate predictions of corrosion with significant computational savings is introduced. Specifically, this work leverages AdaBoosted Decision trees to provide an accurate estimate of corrosion current per width given different values of temperature, water layer thickness, molarity of the solution, and the length of the cathode for a galvanic couple of aluminum and stainless steel.

36 MATERIALS SCIENCE↗

Noble Gas Management: SBMOF 1 vs. NUCON Carbon

Pacific Northwest National Laboratory (PNNL), in collaboration with Flibe Energy, Inc., demonstrated the fabrication of metal organic frameworks (MOFs) into engineered beads to manage off-gases released from molten salt reactors. Among the many MOF options, SBMOF 1 was selected as an ideal sorbent to manage off-gases released from a molten salt reactor because its pore size is optimal. The SBMOF 1 was synthesized and fabricated into engineered particles using three different methods, with and without polymers. All the engineered particles were exposed to Co-60 radiation (1,000 kGy) to demonstrate their radiation stability. Single column breakthrough experiments were performed at different temperatures, activation conditions, flow rates, and off-gas compositions to optimize the Xe capacity at the breakthrough point and at saturation. The Xe loading in SBMOF 1 was compared with that of standard solid sorbent (Nucon carbon) under identical conditions. Based on the single column experiments, SBMOF 1 outperforms the Nucon carbon at all the temperatures and reduces the mass (to as little as 55%) of sorbent needed to achieve the same performance as carbon. The bed volume is also reduced, down to 48% of that of Nucon carbon, when the MOF is used. These results clearly demonstrate improvement in the amount of adsorbent needed and show a reduction in bed volume compared to traditional sorbent material.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

117.6 kilobit telemetry from Mercury - A major deep space telecommunication advance

On March 29, 1974, Mariner 10 transmitted 562 clear, sharp pictures of Mercury in real time at 117.6 kilobits per second. The methods by which large area coverage at roughly 1 km resolution was achieved are described. In particular, it is shown how link performance was effectively improved by carefully assessing picture quality and coverage versus bit rate and bit error rate. A number of improvements as compared to the 1971 Mars Orbiter, Mariner 9, are outlined.

Clarke, V. C., Jr.↗

Investigation of continuously traversing microphone system for mode measurement

The continuously Traversing Microphone System consists of a data acquisition and processing method for obtaining the modal coefficients of the discrete, coherent acoustic field in a fan inlet duct. The system would be used in fan rigs or full scale engine installations where present measurement methods, because of the excessive number of microphones and long test times required, are not feasible. The purpose of the investigation reported here was to develop a method for defining modal structure by means of a continuously traversing microphone system and to perform an evaluation of the method, based upon analytical studies and computer simulated tests. A variety of system parameters were examined, and the effects of deviations from ideal were explored. Effects of traverse speed, digitizing rate, run time, roundoff error, calibration errors, and random noise background level were determined. For constant fan operating speed, the sensitivity of the method to normal errors and deviations was determined to be acceptable. Good recovery of mode coefficients was attainable. Fluctuating fan speed conditions received special attention, and it was concluded that by employing suitable time delay procedures, satisfactory information on mode coefficients can be obtained under realistic conditions. A plan for further development involving fan rig tests was prepared.

Cicon, D. E.↗

Numerical Analysis Of Interlaminar-Fracture Toughness

Finite-element analysis applied in conjunction with strain-energy and micromechanical concepts. Computational procedure involves local, local-crack-closure, and/or the "unique" local-crack-closure method developed at NASA Lewis Research Center, for mathematical modeling of ENF and MMF. Methods based on three-dimensional finite-element analysis in conjunction with concept of strain-energy-release rate and with micromechanics of composite materials. Assists in interpretation of ENF and MMF fracture tests performed to obtain fracture-toughness parameters, by enabling evaluation of states of stress likely to induce interlaminar fractures.

Chamis, C. C.↗

Assessments of astronaut effectiveness

This study examined the reliability and convergent validity of three methods of peer and supervisory ratings of the effectiveness of individual NASA astronauts and their relationships with flight assignments. These two techniques were found to be reliable and relatively convergent. Seniority and a peer-rated Performance and Competence factor proved to be most closely associated with flight assignments, while supervisor ratings and a peer-rated Group Living and Personality factor were found to be unrelated. Results have implications for the selection and training of astronauts.

Rose, Robert M.↗

Cartesian-Grid Simulations of a Canard-Controlled Missile with a Free-Spinning Tail

The proposed paper presents a series of simulations of a geometrically complex, canard-controlled, supersonic missile with free-spinning tail fins. Time-dependent simulations were performed using an inviscid Cartesian-grid-based method with results compared to both experimental data and high-resolution Navier-Stokes computations. At fixed free stream conditions and canard deflections, the tail spin rate was iteratively determined such that the net rolling moment on the empennage is zero. This rate corresponds to the time-asymptotic rate of the free-to-spin fin system. After obtaining spin-averaged aerodynamic coefficients for the missile, the investigation seeks a fixed-tail approximation to the spin-averaged aerodynamic coefficients, and examines the validity of this approximation over a variety of freestream conditions.

Murman, Scott M.↗

Three-flavour neutrino oscillations with MINOS and CHIPS

MINOS was a long-baseline neutrino oscillation experiment comprising two functionally identical detectors that observed Fermilab's NuMI neutrino beam in its low energy tune, at distances of 1 km and 735 km. When NuMI switched to a higher-power medium energy tune in 2012, the MINOS detectors continued to operate as MINOS+. Since its commissioning in 2003, the MINOS Far Detector has also been able to detect atmospheric neutrinos. Atmospheric neutrino oscillations are sensitive to the mass splitting m2 32 and mixing angle 23, and are also subject to the Matter E ect as the neutrinos pass through the Earth, which a ects neutrinos and antineutrinos di erently in a way that depends upon the mass hierarchy. This thesis presents the rst atmospheric neutrino analysis using data from the MINOS+ era, and the rst dedicated MINOS atmospheric neutrino analysis to use a full three- avour mixing model. It includes 10.79 kiloton years of new data and encompasses almost an entire period of the 11-year solar cycle, from 2003 to 2014. The CHIPS experiment aims to reduce construction costs of large water Cherenkov detectors to $200-300k per kiloton by submerging detectors with a lightweight structure in bodies of water on the surface of the Earth. Such detectors could reach masses of 1 Mton and would assist with the search for CP violation in the neutrino sector by measuring the rate of e appearance in a beam. A detailed reconstruction framework for CHIPS has been developed, incorporating a novel method based on the timing of PMT hits. This framework has been used to study the performance of di erent designs for a 10 kiloton CHIPS R&D module, and to demonstrate that e events can be identi ed in a sparsely-instrumented detector with a 6% coverage of 3" PMTs.

Perch, Andrew John↗

Self-optimized construction of transition rate matrices from accelerated atomistic simulations with Bayesian uncertainty quantification

Here, a massively parallel method to build large transition rate matrices from temperature-accelerated molecular dynamics trajectories is presented. Bayesian Markov model analysis is used to estimate the expected residence time in the known state space, providing crucial uncertainty quantification for higher-scale simulation schemes such as kinetic Monte Carlo or cluster dynamics. The estimators are additionally used to optimize where exploration is performed and the degree of temperature acceleration on the fly, giving an autonomous, optimal procedure to explore the state space of complex systems. The method is tested against exactly solvable models and used to explore the dynamics of C15 interstitial defects in iron. Our uncertainty quantification scheme allows for accurate modeling of the evolution of these defects over timescales of several seconds.

36 MATERIALS SCIENCE↗

Wearable radio-frequency sensing of respiratory rate, respiratory volume, and heart rate

Abstract Many health diagnostic systems demand noninvasive sensing of respiratory rate, respiratory volume, and heart rate with high user comfort. Previous methods often require multiple sensors, including skin-touch electrodes, tension belts, or nearby off-the-body readers, and hence are uncomfortable or inconvenient. This paper presents an over-clothing wearable radio-frequency sensor study, conducted on 20 healthy participants (14 females) performing voluntary breathing exercises in various postures. Two prototype sensors were placed on the participants, one close to the heart and the other below the xiphoid process to couple to the motion from heart, lungs and diaphragm, by the near-field coherent sensing principle. We can achieve a satisfactory correlation of our sensor with the reference devices for the three vital signs: heart rate ( r = 0.95), respiratory rate ( r = 0.93) and respiratory volume ( r = 0.84). We also detected voluntary breath-hold periods with an accuracy of 96%. Further, the participants performed a breathing exercise by contracting abdomen inwards while holding breath, leading to paradoxical outward thorax motion under the isovolumetric condition, which was detected with an accuracy of 83%.

60 APPLIED LIFE SCIENCES↗

Age and Method of Release Affect Migratory Performance of Hatchery Steelhead

Abstract Hatchery programs that are designed to aid recovery of natural populations of anadromous salmonids, including steelhead Oncorhynchus mykiss, require locally derived, natural-origin broodstock. In such programs, achieving smoltification size thresholds may require extending hatchery rearing beyond age 1. We compared out-migration survival and travel rates of 142,990 PIT-tagged steelhead smolts released at age 1 (S1 rearing strategy) or age 2 (S2 rearing strategy) over five release years at Winthrop National Fish Hatchery (WNFH, Okanogan County, Washington). An S2 rearing cycle produced larger smolts with more uniform size distributions, resulting in higher survival during the first portion of their out-migration than for S1 smolts in three of the five release years. The S2 smolts migrated more rapidly to the ocean than S1 smolts in all years except 2011 and arrived in the Columbia River estuary 5.4 d earlier on average than the S1 smolts. The S1 steelhead that did not leave during the volitional release were subsequently forced from the hatchery to measure their survival. Nonvolitional S1 migrants were smaller and had survival rates that were 2.3–66.3 times lower than those of S1 steelhead that left WNFH on their own. The same was true for S2 steelhead, but the magnitude of the survival difference between volitional migrants and fish forced from the raceways was less variable and ranged from 2.5- to 4.6-fold. We conclude that S2 rearing can be a successful strategy for producing smolts from local natural-origin broodstock, with out-migration survival and travel times that are equivalent to or better than those of S1 smolts produced from nonlocal broodstock. Received July 25, 2016; accepted March 31, 2017 Published online May 31, 2017

Tatara, Christopher P.↗

Spin glasses and error-correcting codes

In this article, we study a model for error-correcting codes that comes from spin glass theory and leads to both new codes and a new decoding technique. Using the theory of spin glasses, it has been proven that a simple construction yields a family of binary codes whose performance asymptotically approaches the Shannon bound for the Gaussian channel. The limit is approached as the number of information bits per codeword approaches infinity while the rate of the code approaches zero. Thus, the codes rapidly become impractical. We present simulation results that show the performance of a few manageable examples of these codes. In the correspondence that exists between spin glasses and error-correcting codes, the concept of a thermal average leads to a method of decoding that differs from the standard method of finding the most likely information sequence for a given received codeword. Whereas the standard method corresponds to calculating the thermal average at temperature zero, calculating the thermal average at a certain optimum temperature results instead in the sequence of most likely information bits. Since linear block codes and convolutional codes can be viewed as examples of spin glasses, this new decoding method can be used to decode these codes in a way that minimizes the bit error rate instead of the codeword error rate. We present simulation results that show a small improvement in bit error rate by using the thermal average technique.

Belongie, M. L.↗