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All sources NASA NTRS DOE OSTI

DOE OSTI2015

SU-E-E-15: Design of a Water Calorimeter for Dual Use in An Integrated MRI-Linac and Gamma-Knife

Purpose: To design a water calorimeter for dual use in an integrated MRI-linac and Gamma-Knife. In calorimetry, dose to water is measured based on the assumption that energy absorbed in a sensitive volume is completely converted to temperature rise {sub (}ΔΤ{sub )} according to the specific heat capacity of the medium c: D=c*ΔT*k, where k is heat transfer correction factor and compensates for heat gain or loss at point of measurement due to conductive effects. Methods: A commercial finite element method software package was used to model four different water calorimeter designs. The long term (48 h) thermal stability of each design was accurately modeled, and the optimization of the final design was based on evaluation of the standard deviation of k for ten consecutive irradiation runs (lower standard deviation translates to greater thermal stability). Several insulator materials of varying thicknesses were investigated, and a sensitivity study of thermal stability to variations in ambient temperature fluctuations was undertaken. Specifically, we evaluated the effect of possible variations in coolant temperature circulating around the calorimeter tank in several scenarios (constant, slowly increasing, or fluctuating). Results: Due to MRI-compatibility requirements, the calorimeter is to be built entirely out of plastic. Among all insulation materials tested, solid state aerogel-based insulation resulted in least heat loss and thermal stability. The final design is cylindrical on top (to be used upright in MRI-linac) and semi-spherical at bottom (for use in GammaKnife). The range of k was found to be 1.002 ± 0.013 (k = 1), comparable with a k of 1.002 ± 0.014 for typical water calorimeters used in high energy beams. A long term stability of 0.36 µK/hr was evaluated. Conclusion: Optimization of a water calorimeter design for dual use in MRI-linac and Gamma-Knife has been completed and the device is currently in production. Supported by NSERC RGPIN 435608.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

NASA NTRS1991

Cascade flutter analysis with transient response aerodynamics

Two methods for calculating linear frequency domain aerodynamic coefficients from a time marching Full Potential cascade solver are developed and verified. In the first method, the Influence Coefficient, solutions to elemental problems are superposed to obtain the solutions for a cascade in which all blades are vibrating with a constant interblade phase angle. The elemental problem consists of a single blade in the cascade oscillating while the other blades remain stationary. In the second method, the Pulse Response, the response to the transient motion of a blade is used to calculate influence coefficients. This is done by calculating the Fourier Transforms of the blade motion and the response. Both methods are validated by comparison with the Harmonic Oscillation method and give accurate results. The aerodynamic coefficients obtained from these methods are used for frequency domain flutter calculations involving a typical section blade structural model. An eigenvalue problem is solved for each interblade phase angle mode and the eigenvalues are used to determine aeroelastic stability. Flutter calculations are performed for two examples over a range of subsonic Mach numbers.

Bakhle, Milind A.↗

NASA NTRS1991

Cascade flutter analysis with transient response aerodynamics

Bakhle, M. A.↗

NASA NTRS2002

Sensorimotor integration in human postural control

It is generally accepted that human bipedal upright stance is achieved by feedback mechanisms that generate an appropriate corrective torque based on body-sway motion detected primarily by visual, vestibular, and proprioceptive sensory systems. Because orientation information from the various senses is not always available (eyes closed) or accurate (compliant support surface), the postural control system must somehow adjust to maintain stance in a wide variety of environmental conditions. This is the sensorimotor integration problem that we investigated by evoking anterior-posterior (AP) body sway using pseudorandom rotation of the visual surround and/or support surface (amplitudes 0.5-8 degrees ) in both normal subjects and subjects with severe bilateral vestibular loss (VL). AP rotation of body center-of-mass (COM) was measured in response to six conditions offering different combinations of available sensory information. Stimulus-response data were analyzed using spectral analysis to compute transfer functions and coherence functions over a frequency range from 0.017 to 2.23 Hz. Stimulus-response data were quite linear for any given condition and amplitude. However, overall behavior in normal subjects was nonlinear because gain decreased and phase functions sometimes changed with increasing stimulus amplitude. "Sensory channel reweighting" could account for this nonlinear behavior with subjects showing increasing reliance on vestibular cues as stimulus amplitudes increased. VL subjects could not perform this reweighting, and their stimulus-response behavior remained quite linear. Transfer function curve fits based on a simple feedback control model provided estimates of postural stiffness, damping, and feedback time delay. There were only small changes in these parameters with increasing visual stimulus amplitude. However, stiffness increased as much as 60% with increasing support surface amplitude. To maintain postural stability and avoid resonant behavior, an increase in stiffness should be accompanied by a corresponding increase in damping. Increased damping was achieved primarily by decreasing the apparent time delay of feedback control rather than by changing the damping coefficient (i.e., corrective torque related to body-sway velocity). In normal subjects, stiffness and damping were highly correlated with body mass and moment of inertia, with stiffness always about 1/3 larger than necessary to resist the destabilizing torque due to gravity. The stiffness parameter in some VL subjects was larger compared with normal subjects, suggesting that they may use increased stiffness to help compensate for their loss. Overall results show that the simple act of standing quietly depends on a remarkably complex sensorimotor control system.

NASA Discipline Neuroscience↗

NASA NTRSDate not supplied

Aeroservoelastic Control Law Development for the Integrated Adaptive Wing Technology Maturation Wind-Tunnel Test

In this paper, a linear quadratic Gaussian (LQG) regulator was applied to a computational aeroservoelastic (ASE) model of the Integrated Adaptive Wing Technology Maturation (IAWTM) wind-tunnel model to demonstrate its effectiveness for active flutter suppression. The aerodynamics within this computational ASE model were solved using unsteady Reynolds-averaged Navier-Stokes (RANS) equations; the structural dynamics of the model were solved using modal analysis. This RANS-based ASE model was used as the plant for the LQG regulator. The Kalman filter and controller used within the LQG regulator were derived from a reduced-order model (ROM) of the RANS-based ASE model. This ROM-based ASE model was generated using system identification techniques. It was shown that the Kalman filter adequately predicted important states of the plant, and that LQG regulator successfully stabilized an aeroelastically unstable plant without exceeding reasonable control surface limitations. All of this was demonstrated using simulation data, and the methods presented here appear feasible for use in the upcoming IAWTM wind-tunnel tests.

Josiah M. Waite↗

DOE OSTI2022

Differing behavioral changes in crayfish and bluegill under short- and long-chain PFAS exposures: Field study in Northern Michigan, USA

The emergent contaminant family, per- and poly-fluorinated alkyl substances (PFAS) has gained research attention due to their widespread detection and stability within the environment. Despite the growing amount of research on perfluorooctanesulfonic acid (PFOS) and perfluoro-n-octanoic acid (PFOA) in aquatic organisms, investigations detailing behavioral and physiological effects of aquatic organisms exposed to a mixture of PFAS analytes in the wild have been limited. The objective of this study was to evaluate the potential behavioral and histological effects of environmental exposure to PFAS compounds within multiple trophic levels of aquatic ecosystems. The current study investigates effects of environmentally relevant PFAS concentration exposures in crayfish (Faxonius immunis, F. rusticus, F. virilis) and bluegill (Lepomis macrochirus) sourced from four water bodies in Northern Michigan. Antipredator response and foraging behavioral assays were used to investigate potential effects on crayfish; a swimming speed behavioral assay and liver and gill histology analysis were used to investigate potential effects on fish. Linear mixed model and multiple regression analyses resulted in significant relationships between tissue accumulation levels of long chain PFAS compounds and crayfish foraging and fish critical swimming speed responses. Crayfish foraging decreased and fish critical swim speeds increased with PFAS exposure which may lead to energetic and population concerns. Antipredator response in crayfish and liver and gill histology in fish were not significantly related to PFAS tissue or water concentrations. The sensitivity of crayfish and bluegill behavior contributes to the growing body of research regarding the differential toxicity of short-chain and long-chain PFAS compounds. The sensitivity of some aquatic organism behaviors to PFAS accumulated in tissue may have implications for PFAS transfer and alterations to ecosystem functioning; based on the results of this field study, further laboratory research is recommended to further evaluate these relationships.

59 BASIC BIOLOGICAL SCIENCES↗

NASA NTRS2014

Evaluation of Linear, Inviscid, Viscous, and Reduced-Order Modeling Aeroelastic Solutions of the AGARD 445.6 Wing Using Root Locus Analysis

Reduced-order modeling (ROM) methods are applied to the CFD-based aeroelastic analysis of the AGARD 445.6 wing in order to gain insight regarding well-known discrepancies between the aeroelastic analyses and the experimental results. The results presented include aeroelastic solutions using the inviscid CAP-TSD code and the FUN3D code (Euler and Navier-Stokes). Full CFD aeroelastic solutions and ROM aeroelastic solutions, computed at several Mach numbers, are presented in the form of root locus plots in order to better reveal the aeroelastic root migrations with increasing dynamic pressure. Important conclusions are drawn from these results including the ability of the linear CAP-TSD code to accurately predict the entire experimental flutter boundary (repeat of analyses performed in the 1980's), that the Euler solutions at supersonic conditions indicate that the third mode is always unstable, and that the FUN3D Navier-Stokes solutions stabilize the unstable third mode seen in the Euler solutions.

Silva, Walter A.↗

NASA NTRS2020

Tuning Neural Network Models for Improved Prediction of Boundary Layer Transition

Boundary layer transition can strongly impact flight vehicle performance as it influences surface skin friction and aerodynamic heating, making accurate transition prediction a key to designing next generation aircraft. Artificial neural networks (ANNs) have shown promise toward predicting laminar-turbulent transition based on linear stability correlations. The computational efficiency of ANNs and the substantially reduced user involvement in relation to direct computations based on the linear stability theory (LST) makes them an attractive methodology for integrating the LST based correlations in computational fluid dynamics codes. Tollmien-Schlichting (TS) waves correspond to the dominant transition mechanism in 2D or weakly 3D subsonic boundary layers, such as those encountered in general aviation applications. Improvements to neural network model accuracy in predicting the amplification rates of TS instability waves have been investigated by leveraging recent machine learning developments in conjunction with surrogate optimization techniques and via suitable augmentation of the data used to train the networks. The optimized models trained on the modified dataset reduced the average transition location errors on different airfoils at several flow conditions by 51% of the original manually-tuned network’s errors on the same flow cases. The actual transition locations were derived from the Langley Stability and Transition Analysis Code (LASTRAC).

Machine Learning↗

NASA NTRS1991

Cascade flutter analysis with transient response aerodynamics

Two methods for calculating linear frequency domain aerodynamic coefficients from a time-marching Full-Potential cascade solver are developed and verified. In the first method, the Influence Coefficient method, solutions to elemental problems are superposed to obtain the solutions for a cascade in which all blades are vibrating with a constant interblade phase angle. The elemental problem consists of a single blade in the cascade oscillating while the other blades remain stationary. In the second method, the Pulse Response method, the response to the transient motion of a blade is used to calculate influence coefficients. This is done by calculating the Fourier transforms of the blade motion and the response. Both methods are validated by comparison with the Harmonic Oscillation method and give accurate results. The aerodynamic coefficients obtained from these methods are used for frequency domain flutter calculations involving a typical section blade structural model. An eigenvalue problem is solved for each interblade phase angle mode and the eigenvalues are used to determine aeroelastic stability. Flutter calculations are performed for two examples over a range of subsonic Mach numbers using both flat plates and actual airfoils.

Bakhle, Milind A.↗

DOE OSTI2021

Electropolymerized-molecularly imprinted polymers (E-MIPS) as sensing elements for the detection of dengue infection

Here, a straightforward in situ detection method for dengue infection was demonstrated through the molecular imprinting of a dengue nonstructural protein 1 (NS1) epitope into an electropolymerized molecularly imprinted polyterthiophene (E-MIP) film sensor. The key enabling step in the sensor fabrication is based on an epitope imprinting strategy, in which short peptide sequences derived from the original target molecules were employed as the main template for detection and analysis. The formation of the E-MIP sensor films was facilitated using cyclic voltammetry (CV) and monitored in situ by electrochemical quartz crystal microbalance (EC-QCM). Surface properties were analyzed using different techniques including atomic force microscopy (AFM), X-ray photoelectron spectroscopy (XPS), and polarization modulation-infrared reflection-adsorption (PM-IRRAS). The standard calibration curve (R = 0.9830) was generated for the detection of the epitope, Ac-VHTWTEQYKFQ-NH 2 , with a linear range of 0.2 to 30 μg/mL and detection limit of 0.073 μg/mL. A separate calibration curve (R = 0.9786) was obtained using spiked buffered solutions of dengue NS1 protein, which resulted in a linear range of 0.2 to 10 μg/mL and a detection limit of 0.056 μg/mL. The fabricated E-MIP sensor exhibited long-term stability, high sensitivity, and good selectivity towards the targeted molecules. These results indicated that the formation of the exact and stable cavity imprints in terms of size, shape, and functionalities was successful. In our future work, we aim to use our E-MIP sensors for NS1 detection in real-life samples such as serum and blood.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2021

The effect of elastic strains on the adsorption energy of H, O, and OH in transition metals

The influence of elastic strains on the adsorption of H, O, and OH on the (111) surfaces of 8 fcc (Ni, Cu, Pd, Ag, Pt, Au, Rh, Ir) and on the (0001) surfaces of 3 hcp (Co, Zn, Cd) transition metals was analyzed by means of density functional theory calculations. To this end, surface slabs were subjected to different strain states (uniaxial, biaxial, shear, and a combination of them) up to strains dictated by the mechanical stability limits indicated by phonon calculations. It was found that the adsorption energy followed the predictions of the d-band theory but – surprisingly – the variations in the adsorption energy only depended on the area of the adsorption hole and not on the particular elastic strain tensor applied to achieve this area. The analysis of the electronic structure showed that the applied strains did not modify the shape of the Projected Density of States (PDOS) of the d-orbitals of the transition metals but only led to a shift in the energy levels. Moreover, the presence of the adsorbates on the surfaces led to negligible changes in the PDOS. Thus, the adsorption energies were a function of the Fermi energy which in turn was associated with the change of the area of the adsorption through a general linear law that was valid for all metals. Furthermore, the information in this paper allows the immediate and accurate estimation of the effect of any elastic strain on the adsorption energies of H, O, and OH in 11 transition metals with more than half-filled d-orbitals.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

NASA NTRS1982

Helistat simulation studies

An analysis of the flight dynamics and piloted control characteristics of the Helistat, a quadrotor heavy-lift airship, was completed using the HYBRDS airship simulation facility. The analysis covered the full operating flight envelope, including likely ranges of altitude, airspeed, sideslip, and loading variations. Particular areas of study were performance, trim, power requirements, linearized dynamics, handling qualities, and mooring operations. The key assumptions were: a rigid vehicle, no control system dynamics, fixed rotor and propeller RPM, and no ballonet dynamics. The nominal cruise speed for the H34 engines operating at 1275 HP was found to be 40-50 kts, depending on the loading condition. The maximum payload capability was calculated as 45,000 lbs for sea level-based operations. The crosswind capability in hover is 5-10 kts depending on the loading conditions, but this requires excessive roll angle due to the roll-to-translate control gearing. Sideslip angles of 110-135 degrees (wind from aft quarters) are critical for directional trim and stability, and should be avoided.

Tischler, M. B.↗

NASA NTRSDate not supplied

Gradient-Based Optimization of the Common Research Model Wing Subject to CFD-Based Gust and Flutter Constraints

The linearized frequency-domain method was recently implemented in the stabilized finite element solver in NASA’s FUN3D code. Previous work by the authors used this method for enforcing flutter constraints during gradient-based optimizations. More recently, the solver was expanded to account for continuous (also known as stochastic) gust responses. This paper expands on recent Common Research Model wing optimization work, which demonstrated gradient-based optimization with flutter and stochastic gust constraints, among others. While that work utilized FUN3D for static aeroelastic solutions but relied on doublet lattice aerodynamics for gust and flutter responses, the present work replaces these unsteady aerodynamic analyses with those of FUN3D’s linearized frequency-domain solver. With analytic derivatives available, gradient-based optimization is performed through the use of the OpenMDAO/MPhys libraries with over 700 shape, structural, and aerodynamic design variables and over 10 nonlinear constraints. Comparisons of analysis results and optimized designs are made between doublet lattice and linearized frequency-domain solutions.

aeroelasticity↗

DOE OSTI2015

Investigation of the response of a neutron-Hand monitor dedicated to the powder diffractometer at CENM-Maamora

Neutrons are used for the study of condensed matter. A neutron beam can indeed easily penetrate the solid material and undergo diffraction phenomena. Analysis of the diffused neutrons allows studying the atomic structure of crossed material. Their neutral electric charge makes them nondestructive probe of a great interest. In general, the size of the powder samples is very small and therefore the centering of the beam on these is very crucial. It is in this context we proceed to test a portable neutron monitor for centering and checking beam leak around the shielding to be installed around the diffractometer in TRIGA Mark II of CENM. It's consisting of a scintillation neutron detector NE426 ({sup 6}LiF + ZnS (Ag)) with electronic module and data acquisition system. The effect of radiation from radioactive neutrons source {sup 252}Cf is shown. Sensitivity and differential linearity are also performed. This study indicates several advantages of this detector with very good detection sensitivity and excellent stability during the counting time. (authors)

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

DOE OSTI2023

Accelerating and stabilizing the convergence of vibrational self-consistent field calculations via the direct inversion of the iterative subspace (vDIIS) algorithm

The vibrational self-consistent field (VSCF) method yields anharmonic states and spectra for molecular vibrations, and it serves as the starting point for more sophisticated correlated-vibration methods. Convergence of the iterative, non-linear optimization in VSCF calculations can be erratic or altogether unsuccessful, particularly for chemical systems involving low-frequency motions. In this work, a vibrational formulation of the Direct Inversion of the Iterative Subspace method of Pulay is presented and investigated. This formulation accounts for distinct attributes of the vibrational and electronic cases, including the expansion of each single-mode vibrational wavefunction in its own basis set. The resulting Direct Inversion of the Iterative Subspace method is shown to substantially accelerate VSCF convergence in all convergent cases as well as rectify many cases where Roothaan-based methods fail. Performance across systems ranging from small, rigid molecules to weakly bound molecular clusters is investigated in this analysis.

Chemistry↗

DOE OSTI2022

Energetics of hydroxylbastnäsite solid solutions, La 1-$\chi$ Nd $\chi$ CO 3 OH

Bastnäsites (LnCO 3 (F,OH)) are a group of common rare earth elements (REE)-bearing minerals and are one of the primary global sources of REE. Due to the chemical similarities among REE, bastnӓsites tend to occur as solid solutions instead of end members in REE containing ores. To better understand the processes and the mechanisms of formation of such deposits, it is essential to determine the thermodynamic properties of bastnӓsites, including hydroxylbastnӓsite (LnCO 3 OH) solid solutions. In this work, we performed detailed structural and calorimetric investigations on synthetic hexagonal La–Nd hydroxylbastnӓsite (La 1-$\chi$ NdCO 3 OH, $\chi$ = 0, 0.25, 0.5, 0.75, 1) solid solutions. X-ray diffraction confirms the crystal structure of the solid solution series in the $\ P$6 space group, and pair distribution function (PDF) analysis reveals local bonding environments characterized by three different types of 9-coordinated metal-oxygen polyhedra. Unit cell parameters of La1–xNdxCO3OH exhibit a nearly linear relation with the Nd content x, suggesting a random distribution of La and Nd in the structure. Their standard enthalpies of formation (Δ$\ H$° f ) were determined by high temperature oxide melt drop solution calorimetry, from which the enthalpies of mixing (Δ$\ H$ mix ) were derived. The Δ$\ H$ mix can be fitted by a regular solution model with an interaction parameter of 12.58 ± 0.16 kJ/mol, suggesting enthalpic metastability of La1–xNdxCO3OH relative to the two endmembers. Combining entropy and enthalpy, we further estimated the Gibbs free energies of mixing (Δ$\ G$ mix ) at relevant temperatures, revealing favorable temperatures under which the intermediate La 1-$\chi$ NdCO 3 OH phases can be stabilized. Such entropy-driven stabilization, as is consistent with our geochemical modeling results, may explain the enhancement of thermal stability of the solid solutions in nature. Additionally, the temperature range constrained from this study may be used to estimate the thermal history of REE bastnӓsite deposit.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2024

Quasi-Lindblad pseudomode theory for open quantum systems

Here, we introduce a new framework to study the dynamics of open quantum systems with linearly coupled Gaussian baths. Our approach replaces the continuous bath with an auxiliary discrete set of pseudomodes with dissipative dynamics, but we further relax the complete positivity requirement in the Lindblad master equation and formulate a quasi-Lindblad pseudomode theory. We show that this quasi-Lindblad pseudomode formulation directly leads to a representation of the bath correlation function in terms of a complex weighted sum of complex exponentials, an expansion that is known to be rapidly convergent in practice and thus leads to a compact set of pseudomodes. The pseudomode representation is not unique and can differ by a gauge choice. When the global dynamics can be simulated exactly, the system dynamics is unique and independent of the specific pseudomode representation. However, the gauge choice may affect the stability of the global dynamics, and we provide an analysis of why and when the global dynamics can retain stability despite losing positivity. We showcase the performance of this formulation across various spectral densities in both bosonic and fermionic problems, finding significant improvements over conventional pseudomode formulations.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

DOE OSTI2015

A precise measurement of the top quark mass in dilepton final states using 9.7 fb$^{-1}$ of D{Ø} Run II data

The top quark is a very special fundamental particle in the Standard Model (SM) mainly due to its heavy mass. The top quark has extremely short lifetime and decays before hadronization. This reduces the complexity for the measurement of its mass. The top quark couples very strongly to the Higgs boson since the fermion-Higgs Yukawa coupling linearly depends on the fermion’s mass. Therefore, the top quark is also heavily involved in Higgs production and related study. A precise measurement of the top quark mass is very important, as it allows for self-consistency check of the SM, and also gives a insight about the stability of our universe in the SM context. This dissertation presents my work on the measurement of the top quark mass in dilepton final states of t$\bar{t}$ events in p$\bar{p}$ collisions at √s = 1.96 TeV, using the full DØ Run II data corresponding to an integrated luminosity of 9.7 fb -1 at the Fermilab Tevatron. I extracted the top quark mass by reconstructing event kinematics, and integrating over expected neutrino rapidity distributions to obtain solutions over a scanned range of top quark mass hypotheses. The analysis features a comprehensive optimization that I made to minimize the expected statistical uncertainty. I also improve the calibration of jets in dilepton events by using the calibration determined in t$\bar{t}$ → lepton+jets events, which reduces the otherwise limiting systematic uncertainty from the jet energy scale. The measured mass is 173.11 ± 1.34(stat) +0.83 -0.72 (sys) GeV .

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗