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At least 1,189 records · Page 66

A study of the feasibility of ultraviolet spectrometry for cometary missions

Ultraviolet spectra fo the comet West obtained by sounding rocket experiments in 1976 are reproduced and interpreted in order to estimate the expected brightness of the emission features and determine the spatial extent of these features for the proposed Halley Flyby/Tempel 2 rendezvous and the possible Halley or Encke flybys close to perihelion. A coma model was constructed and evaluated for the physical condition of candidate targets such as heliocentric distance, gas production, and composition. In addition to brightness profiles, the neutral and ion densities of the principal species are also dervied. The brightness profiles can be used to determine the feasibility of utilizing the space telescope to provide supporting observations during the mission. Basic parameters identified are spectral range, wavelength resolution, spatial resolution, sensitivity and dynamic range, rejection of scattered light, and integration or accumulation time.

Feldman, P. D.↗

An Empirical Comparison between Two Recursive Filters for Attitude and Rate Estimation of Spinning Spacecraft

The advantages of inducing a constant spin rate on a spacecraft are well known. A variety of science missions have used this technique as a relatively low cost method for conducting science. Starting in the late 1970s, NASA focused on building spacecraft using 3-axis control as opposed to the single-axis control mentioned above. Considerable effort was expended toward sensor and control system development, as well as the development of ground systems to independently process the data. As a result, spinning spacecraft development and their resulting ground system development stagnated. In the 1990s, shrinking budgets made spinning spacecraft an attractive option for science. The attitude requirements for recent spinning spacecraft are more stringent and the ground systems must be enhanced in order to provide the necessary attitude estimation accuracy. Since spinning spacecraft (SC) typically have no gyroscopes for measuring attitude rate, any new estimator would need to rely on the spacecraft dynamics equations. One estimation technique that utilized the SC dynamics and has been used successfully in 3-axis gyro-less spacecraft ground systems is the pseudo-linear Kalman filter algorithm. Consequently, a pseudo-linear Kalman filter has been developed which directly estimates the spacecraft attitude quaternion and rate for a spinning SC. Recently, a filter using Markley variables was developed specifically for spinning spacecraft. The pseudo-linear Kalman filter has the advantage of being easier to implement but estimates the quaternion which, due to the relatively high spinning rate, changes rapidly for a spinning spacecraft. The Markley variable filter is more complicated to implement but, being based on the SC angular momentum, estimates parameters which vary slowly. This paper presents a comparison of the performance of these two filters. Monte-Carlo simulation runs will be presented which demonstrate the advantages and disadvantages of both filters.

Harman, Richard R.↗

Unraveling the Interfacial Structure–Performance Correlation of Flexible Metal–Organic Framework Membranes on Polymeric Substrates

Pure metal–organic framework (MOF) layers deposited on porous supports are important candidates for molecular sieving membranes, but their performance usually deviates from theoretical estimations. Here, we combine stepwise scanning electron microscopy imaging, time-resolved synchrotron X-ray scattering, terahertz infrared spectroscopy, and density functional theory calculation to investigate the ZIF-8 membrane formation on two types (polydopamine and TiO2) of functionalized porous supports. Though molecular sieving of ZIF-8 membranes for smaller gases (He, H 2 , and CO 2 ) can be achieved with both types of functionalized supports, we unravel that the strong interaction between MOF and polydopamine can disrupt the formation of “perfect” MOF crystals at the interface, leading to a “contracted” MOF structure with partially uncoordinated imidazolate ligands. This further affects the low-frequency dynamical parameters of the framework and inhibits the effective seeded growth. Eventually, it leads to an unexpected loss of selectivity for the bulkier gases (N 2 and CH 4 ) for ZIF-8 on polydopamine-functionalized supports. This work links the dynamical aspects of MOFs with their gas transport behavior and highlights the importance of regulating the interfacial weak forces to preserve the ideal molecular sieving efficiency of MOF membranes, which a

36 MATERIALS SCIENCE↗

Ion Trapping Studies and Mitigation Strategies for the EIC ERL-Based Strong Hadron Cooler

An Energy Recovery Linac based strong hadron cooler was previously considered for the Electron-Ion Collider. The required electron beam parameters for variable-energy strong hadron cooling place significant constraints on ion trapping and collective effects. This paper presents initial studies of these constraints through a combination of analytical modelling and numerical simulations of ion production, trapping behaviour, and mitigation strategies. A multi-bunch tracking framework based on ELEGANT with the ionEffects module is used to simulate machine operation over millisecond time scales, corresponding to more than 3 × 10^5 electron bunches. The simulations include modelling of ionisation processes together with transverse electron–ion dynamics, allowing the evolution and accumulation of ions to be investigated. Analytical expressions based on Gaussian beam distributions are used to estimate ion trapping conditions and benchmark the simulation results. A bi-periodic bunch spacing scheme is also investigated as a possible mitigation method by detuning the ion oscillation frequency. These studies provide an initial assessment of ion trapping in the strong hadron cooler and demonstrate possible approaches for reducing beam–ion effects.

Bi, R. [Lancaster University, Cockcroft Institute]↗

Incorporation of a priori gravity field information in satellite orbit determination using bin parameters

A method to determine satellite orbits using tracking data and a priori gravitational field is described. The a priori constraint on the orbit dynamics is determined by the covariance matrix of the spherical harmonic coefficients for the gravity model, so that the optimal combination of the measurements and gravitational field is achieved. A set of bin parameters is introduced to represent the perturbation of the gravitational field on the position of the satellite orbit. The covariance matrix of a conventional gravity model is transformed into that for the bin parameters by the variational partial derivatives. The covariance matrices of the bin parameters and the epoch state are combined to form the covariance matrix of the satellite positions at the measurement times. The combined matrix is used as the a priori information to estimate the satellite positions with measurements.

Wu, Jiun-Tsong↗

Optimality and Noise Resilience of Critical Quantum Sensing

We compare critical quantum sensing to passive quantum strategies to perform frequency estimation, in the case of single-mode quadratic Hamiltonians. We show that, while in the unitary case both strategies achieve precision scaling quadratic with the number of photons, in the presence of dissipation this is true only for critical strategies. We also establish that working at the exceptional point or beyond threshold provides suboptimal performance. This critical enhancement is due to the emergence of a transient regime in the open critical dynamics, and is invariant to temperature changes. When considering both time and system size as resources, for both strategies the precision scales linearly with the product of the total time and the number of photons, in accordance with fundamental bounds. However, we show that critical protocols outperform optimal passive strategies if preparation and measurement times are not negligible. Our results are applicable to a broad variety of critical sensors whose phenomenology can be reduced to that of a single-mode quadratic Hamiltonian, including systems described by finite-component and fully connected models.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Decadal carbon decomposition dynamics in three peatlands in Northern Minnesota

The uppermost portion of the peat profile, an area of active diagenetic processes, is exceedingly important for understanding peatland dynamics and the diagenesis and geochemistry of atmospherically-deposited materials. In this study, we investigated high resolution carbon (C) accrual and peat decomposition rates at two Sphagnum-rich ombrotrophic bogs and one fen in northern Minnesota, USA by analyzing 1 cm increments from 30 cm thick intact frozen blocks of peat soil. We conducted radiocarbon analysis of Sphagnum cellulose to determine peat age and net C accumulation at each depth interval. Calibrated peat ages were determined using CALIBomb and a compilation of calibration datasets for the pre-bomb period. We fit data with a negative exponential accumulation model and used model-derived parameters to estimate net primary productivity (NPP) and a peat decomposition rate constant k. FTIR spectroscopy and C:N were used to derive humification indices and to chemically characterize the peat. NPP ranged from 180 to 266 g C m -2 year -1 , k ranged from 0.015 to 0.019 year -1 . Net C accumulation rates ranged from 112 to 174 g C m -2 year -1 at 25 years and 70 to 113 g C m -2 year-1 at 50 years. Mass loss was up to 55% during the first 50 years of peat accumulation. Decomposition is greater at depth in the bogs—where 25 cm of peat correspond to 55 years of peat accumulation—than in the fen, where peat age is approximately 25 years at 25 cm depth. Lastly, information on fine-scale variations in peat mass decomposition and loss across ombrotrophic bogs and a fen help interpret other diagenetic processes in peatlands.

54 ENVIRONMENTAL SCIENCES↗

Nanoparticle Diffusion in Miscible Polymer Nanocomposite Melts

X-ray photon correlation spectroscopy measurements were used to quantify the dynamics of bare and bimodal grafted silica nanoparticles mixed with PEO melts of different molecular weights. In dilute polymer nanocomposite (PNC) samples, we find diffusive NP behavior as described by the Stokes–Einstein relationship so long as the adsorbed PEO polymer layer is taken into account in determining both the effective NP size and its role on composite viscosity. The size of this bound layer was found to be approximately 2R g , where R g is the chain radius of gyration. We also expanded our system to investigate how the dynamics of grafted NPs differ from bare NPs with an adsorbed layer. We showed that the dynamics again can be determined by an effective NP radius at a scale smaller than the effective interparticle spacing; however, at larger length scales, the morphology and grafting parameters play a major role in the system dynamics. These results allow us to quantify NP ordering driven by polymer crystallization. It has previously been speculated that behavior is controlled by the relative ratio of time scale of crystal growth and the diffusive time scale of the NPs, a Peclet number. When the former time scale is longer, then the NPs are expected to be segregated into the interlamellar amorphous zones, while the NPs are too slow to be reorganized in the opposite case. We show here that this conjecture is quantitatively correct and the demarcation in behavior occurs for Pe = 1. Thus, we provide a way to estimate a critical spherulite growth rate for any semicrystalline PNC, at which a given NP can be ordered. Together, the results of this study permit us to tunably design PNCs through directed dispersion of NPs in a polymer matrix.

77 NANOSCIENCE AND NANOTECHNOLOGY↗

A model-independent data assimilation (MIDA) module and its applications in ecology

Abstract. Models are an important tool to predict Earth system dynamics. An accurate prediction of future states of ecosystems depends on not only model structures but also parameterizations. Model parameters can be constrained by data assimilation. However, applications of data assimilation to ecology are restricted by highly technical requirements such as model-dependent coding. To alleviate this technical burden, we developed a model-independent data assimilation (MIDA) module. MIDA works in three steps including data preparation, execution of data assimilation, and visualization. The first step prepares prior ranges of parameter values, a defined number of iterations, and directory paths to access files of observations and models. The execution step calibrates parameter values to best fit the observations and estimates the parameter posterior distributions. The final step automatically visualizes the calibration performance and posterior distributions. MIDA is model independent, and modelers can use MIDA for an accurate and efficient data assimilation in a simple and interactive way without modification of their original models. We applied MIDA to four types of ecological models: the data assimilation linked ecosystem carbon (DALEC) model, a surrogate-based energy exascale earth system model: the land component (ELM), nine phenological models and a stand-alone biome ecological strategy simulator (BiomeE). The applications indicate that MIDA can effectively solve data assimilation problems for different ecological models. Additionally, the easy implementation and model-independent feature of MIDA breaks the technical barrier of applications of data–model fusion in ecology. MIDA facilitates the assimilation of various observations into models for uncertainty reduction in ecological modeling and forecasting.

58 GEOSCIENCES↗

High-Data-Rate Quadrax Cable Microwave Characterization at the NASA Glenn Structural Dynamics Laboratory

An experiment was performed to determine the degradation in the bit-error-rate (BER) in the high-data-rate cables chosen for the Orion Service Module due to extreme launch conditions of vibrations with a magnitude of 60g. The cable type chosen for the Orion Service Module was no. 8 quadrax cable. The increase in electrical noise induced on these no. 8 quadrax cables was measured at the NASA Glenn vibration facility in the Structural Dynamics Laboratory. The intensity of the vibrations was set at 32g, which was the maximum available level at the facility. The cable lengths used during measurements were 1, 4, and 8 m. The noise measurements were done in an analog fashion using a performance network analyzer (PNA) by recording the standard deviation of the transmission scattering parameter S(sub 21) over the frequency range of 100 to 900 MHz. The standard deviation of S(sub 210 was measured before, during, and after the vibration of the cables at the vibration facility. We observed an increase in noise by a factor of 2 to 6. From these measurements we estimated the increase expected in the BER for a cable length of 25 m and concluded that these findings are large enough that the noise increase due to vibration must be taken in to account for the design of the communication system for a BER of 10(exp -8).

Theofylaktos, Onoufrios↗

Adaptive State Predictor Based Human Operator Modeling on Longitudinal and Lateral Control

Control-theoretic modeling of the human operator dynamic behavior in manual control tasks has a long and rich history. In the last two decades, there has been a renewed interest in modeling the human operator. There has also been significant work on techniques used to identify the pilot model of a given structure. The purpose of this research is to attempt to go beyond pilot identification based on collected experimental data and to develop a predictor of pilot behavior. An experiment was conducted to categorize these interactions of the pilot with an adaptive controller compensating during control surface failures. A general linear in-parameter model structure is used to represent a pilot. Three different estimation methods are explored. A gradient descent estimator (GDE), a least squares estimator with exponential forgetting (LSEEF), and a least squares estimator with bounded gain forgetting (LSEBGF) used the experiment data to predict pilot stick input. Previous results have found that the GDE and LSEEF methods are fairly accurate in predicting longitudinal stick input from commanded pitch. This paper discusses the accuracy of each of the three methods - GDE, LSEEF, and LSEBGF - to predict both pilot longitudinal and lateral stick input from the flight director's commanded pitch and bank attitudes.

Trujillo, Anna C.↗

WBS 4.1.2.31 Bioproduct Transition System Dynamics

Bioproducts are chemicals derived from a biomass feedstock; they can be produced on their own or as co-products of a biorefinery that also produces biofuels. Bioproducts have historically been difficult to scale up and bring to market, despite a broad understanding developed within BETO of the various conversion processes that can be used to produce bioproducts. Expanding the bioproducts industry by bringing more bioproducts to market would have a variety of positive impacts. Growth in the bioproducts industry would support the biofuels industry by enabling biorefinery co-products that yield additional revenue streams, allowing biofuel selling prices to be reduced and expanding the biofuels market. A larger bioproducts industry also has the potential to reduce carbon and other emissions associated with the U.S. chemical sector and contribute to increased price stability in some areas of the chemical market by shifting portions of the chemical sector away from reliance on fossil feedstocks. The key barrier to realizing these positive impacts is a lack of knowledge around the factors that prevent or enable bioproducts to reach the commercial market. To date, there has been essentially no research done on how successful bioproducts (commercially produced bioproducts that have captured market share) become successful, why failed bioproducts fail, and what the similarities and differences are between successful and failed bioproducts. The current project addresses this knowledge gap with a decision support tool that can be used by investors, technology developers and government agencies to bring more bioproducts to market, thereby simultaneously growing the bioproducts and biofuels industries. Development of the decision support tool was based on research on the technology development process and success rates in analogous industries, data gathered during previous BETO-funded projects, and a series of interviews with subject-matter experts within BETO, the bioproducts industry, and the investment community. This information formed a knowledge base around how bioproducts are developed from applied research to commercial scale was assembled, which was used to build the Bioproduct Transition Dynamics (BTD) model, a system dynamics (SD) model that tracks bioproduct development projects from applied research through the 'valley of death' of piloting and demoing to commercial scale production. The end-of-project goal is to release the BTD, along with supporting documentation, as a transparent open-source model that will inform decisions around bioproduct development and investments and enable more bioproducts to reach the market. The BTD takes as inputs techno-economic data on specific bioproducts, behavioral parameters for developers and investors, expectations around government support, and exogenous market factors. Model outputs include bioproduct technological progress over time, a cash flow statement for the development project, and market share estimates. Following initial model development, a sensitivity analysis was performed on a subset of model inputs to determine, first, if the BTD could be used to answer analysis questions of interest to BETO, and second, which of the inputs considered were most influential on bioproduct success. Results indicate that the BTD can be used to identify scenarios that enable bioproduct development, and that 'soft' or semi-quantitative factors play a large role in determining if a bioproduct will reach the market. A workshop was also held for subject-matter experts and prospective BTD users in July 2018. The workshop covered BTD model logic, input data and assumptions as well as the sensitivity analysis results and a discussion of potential use cases. Workshop feedback was used to identify additional model development tasks and was incorporated into a draft technical report completed in September 2018. BTD model development, validation and application will continue through 2019.

09 BIOMASS FUELS↗

Statistical analysis of historic hydrocarbon production data from Gulf of Mexico oil and gas fields and application to dynamic capacity assessment in CO 2 storage

Numerical modeling of CO 2 injection and reservoir flow is typically performed to forecast the number of wells, sustainable injection rates, and total storage volume (or mass). A critical determination for CO 2 storage in depleted oil and gas reservoirs is characterization of reservoir compartmentalization which informs boundary conditions in simulating injection scenarios. Constraining boundary conditions during CO 2 injection into geological formations is a key factor for feasible deployment project. Production history data from 616 wells in 100 oil and gas fields from Gulf of Mexico (GOM) offshore basin can be used to evaluate boundary conditions and total production (oil and gas) and therefor constrain the capacity for potential carbon storage. In general, the combination of decline curve analysis and statistical analysis (to specify constraining boundary conditions) allows the determination of the range of reservoir performance if existing inactive production wells in GOM area of study are used reversibly for CO 2 injection. To constrain the mass of CO 2 which can be injected, it is useful to consider estimates of cumulative bulk (hydrocarbon + brine) production (CBP), which can be converted to equivalent CO 2 mass considering reservoir conditions. Summary CBP statistics are presented as a probability of non-exceedance (PNE), providing a forecast of likely injection rates and masses for other located CO 2 storage projects with similar geology and boundary conditions in the future. The 50% PNE for Equivalent CO 2 is a novel quantitative approach to investigate the possible injection capacity in CO 2 storage projects. The PNE sensitivity analysis shows that reservoir age, drive mechanism, reservoir trap, and reservoir porosity are the key controlling parameters for productivity and consequently optimum CO 2 storage capacity. Furthermore another key finding is the negligible correlation between CBP with reservoir transmissivity and porosity, which implies that other factors than just petrophysical parameters should be studied as constraining factors for CO 2 storage statistical analysis.

42 ENGINEERING↗

Contact angles from Young’s equation in molecular dynamics simulations

In this work, we propose a method to calculate the equilibrium contact angle of heterogeneous 3-phase solid/fluid/fluid systems using molecular dynamics simulations. The proposed method, which combines the phantom-wall method [F. Leroy and F. Müller-Plathe, J. Chem. Phys. 133, 044110 (2010)] and Bennett’s acceptance ratio approach [C. H. Bennett, J. Comput. Phys. 22, 245 (1976)], is able to calculate the solid/fluid surface tension relative to the solid surface energy. The calculated relative surface tensions can then be used in Young’s equation to estimate the equilibrium contact angle. A fluid droplet is not needed for the proposed method, in contrast to the situation for direct simulations of contact angles. In addition, while prior free-energy based methods for contact angles mainly focused on the wetting of fluids in coexistence with their vapor on solid surfaces, the proposed approach was designed to study the contact angles of fluid mixtures on solid surfaces above the fluid saturation pressures. Using the proposed approach, the contact angles of binary Lennard-Jones fluid mixtures on a non-polar solid substrate were calculated at various interaction parameters and the contact angle of water in equilibrium with CO 2 on a hydrophilic polar silica surface was obtained. For both non-polar and polar systems, the calculated contact angles from the proposed method were in agreement with those obtained from the geometry of a cylindrical droplet. The computational cost of the proposed method was found to be comparable to that of simulations that use fluid droplets, but the new method provides a way to calculate the contact angle directly from Young’s equation without ambiguity.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Ultrafast Electron Trapping and Defect-Mediated Recombination in NiO Probed by Femtosecond Extreme Ultraviolet Reflection–Absorption Spectroscopy

Understanding the chemical nature of defect sites as well as the mechanism of defect-mediated recombination is critical for the rational design of energy conversion materials with improved efficiency. Using femtosecond extreme ultraviolet (XUV) spectroscopy in conjunction with X-ray photoelectron spectroscopy (XPS), we present results on the ultrafast electron dynamics in NiO prepared with varying concentrations of defect states. We find that oxygen vacancy defects do not serve as the primary recombination center, but rather the recombination rate scales linearly with the density of Ni metal defects. This suggests that grain boundaries between Ni metal and NiO are responsible for fast carrier recombination in partially reduced NiO. Here, our kinetic model shows that the photoexcited electrons self-trap via small polaron formation on the subpicosecond time scale. Additionally, we estimate an absolute measurement of small polaron formation rates, direct versus defect-mediated recombination rates, and the small polaron diffusion coefficient in NiO. This study provides important parameters for engineering NiO based materials for solar energy harvesting applications.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

On the Impact of Bus Dwelling on Macroscopic Fundamental Diagrams

Network macroscopic fundamental diagrams (MFDs) have recently been shown to exist in real-world urban traffic networks. When present, MFDs can be used to model traffic dynamics within an urban network by dividing the network into a set of spatially compact homogeneous regions and tracking the average level of congestion in each region. Existing analytical methods to estimate MFD mostly focus on the behavior of a single type of vehicle and do not capture the patterns of mixed traffic (e.g., cars and buses). The existence of buses matters since a bus will block the movements of other vehicles when it dwells at the bus stop. This paper proposes an analytical method to estimate the impact of bus dwelling on a network’s MFD based on the network’s geometric features, traffic control strategies, and bus operation parameters, and validates the performance of the proposed method using simulations based on microscopic traffic models. Comparisons of the analytical and simulation results show that the proposed analytical method can generally provide a good estimate of the lower bound and upper bound of the network’s MFD.

Xu, Guanhao↗

Measurement and Characterization of Helicopter Noise in Steady-State and Maneuvering Flight

A special acoustic flight test program was performed on the Bell 206B helicopter outfitted with an in-flight microphone boom/array attached to the helicopter while simultaneous acoustic measurements were made using a linear ground array of microphones arranged to be perpendicular to the flight path. Air and ground noise measurements were made in steady-state longitudinal and steady turning flight, and during selected dynamic maneuvers. Special instrumentation, including direct measurement of the helicopter s longitudinal tip-path-plane (TPP) angle, Differential Global Positioning System (DGPS) and Inertial Navigation Unit (INU) measurements, and a pursuit guidance display were used to measure important noise controlling parameters and to make the task of flying precise operating conditions and flight track easier for the pilot. Special care was also made to test only in very low winds. The resulting acoustic data is of relatively high quality and shows the value of carefully monitoring and controlling the helicopter s performance state. This paper has shown experimentally, that microphones close to the helicopter can be used to estimate the specific noise sources that radiate to the far field, if the microphones are positioned correctly relative to the noise source. Directivity patterns for steady, turning flight were also developed, for the first time, and connected to the turning performance of the helicopter. Some of the acoustic benefits of combining normally separated flight segments (i.e. an accelerated segment and a descending segment) were also demonstrated.

Schmitz, Fredric H.↗

An In-Depth Study of the Abundance Pattern in the Hot Interstellar Medium in NGC 4649

We present our X-ray imaging spectroscopic analysis of data from deep Suzuku and XMM-Newton Observatory exposures of the Virgo Cluster elliptical galaxy NGC 4649 (M60), focusing on the abundance pattern in the hot interstellar medium (ISM). All measured elements show a radial decline in abundance, with the possible exception of O. We construct steady state solutions to the chemical evolution equations that include infall in addition to stellar mass return and SNIa enrichment, and consider recently published SNIa yields. By adjusting a single model parameter to obtain a match to the global abundance pattern in NGC 4649 we infer that accretion of subsolar metallicity external gas has reduced the overall ISM metallicity and diluted the effectiveness of SNIa to skew the pattern towards low alpha/Fe ratios, and estimate the combination of SNIa rate and level of dilution. Evidently, newly-introduced gas is heated as it is integrated into. and interacts with, the hot gas that is already present. These results indicate a complex flow and enrichment history for NGC 4649, reflecting the continual evolution of elliptical galaxies beyond the formation epoch. The heating and circulation of accreted gas may help reconcile this dynamic history with the mostly passive evolution of elliptical stellar populations. In an appendix we examine the effects of the recent updated atomic database AtomDB in spectral fitting of thermal plasmas with hot ISM temperatures in the elliptical galaxy range.

Lowenstein, Michael↗