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At least 109 records · Page 6

Multi-scale computational screening and mechanistic insights of cyclic amines as solvents for improved lignocellulosic biomass processing

A computational screening workflow for the efficient deconstruction of cellulose, lignin and hemicellulose fractions of lignocellulosic biomass using cyclic amines as solvents. Lignocellulosic biomass is a promising feedstock for production of affordable fuels and chemicals from renewable resources. Effective solubilization and subsequent deconstruction of its cellulose, hemicellulose, and lignin fractions is essential for the viability of future biorefineries. This study used quantum chemistry-based equilibrium thermodynamics methods to evaluate the potential of 650 cyclic amines to solubilize cellulose, hemicellulose, and lignin. The activity coefficients of solvent - biopolymer interactions were predicted using the COSMO-RS (COnductor-like Screening MOdel for Real Solvents) method and used to identify cyclic amines that can efficiently dissolve and extract selective fractions of biopolymers during biomass pretreatment. Among the 650 cyclic amines, 1-piperazineethanmaine was predicted to be an effective solvent for extracting all three polymers and was experimentally shown to achieve the highest lignin removal (97.1%). Non-covalent interaction, reduced density gradient and quantum chemical calculations were performed to elucidate the dissolution mechanism of lignin, cellulose and hemicellulose and gain further molecular level insights into the interactions between the cyclic amines and biomass polymers that promote efficient solubilization and extraction. These analyses indicated that 1-piperazineethanmaine and 1-methylimidazole make noncovalent van der Waals, electrostatic interactions and hydrogen bonding with lignin, leading to enhanced lignin removal, while the strong intramolecular hydrogen bonding interactions in cellulose and hemicellulose result in weaker solvent-biopolymer interactions. Overall, the computational approach provided an efficient method for identifying cyclic amines tailored for optimal biomass pretreatment and resulted in the identification of a potential new class of solvents for effective biomass pretreatment.

Kumar, Nikhil↗

Active Microwave Properties of Vegetation Canopies

Potential users of radar imagery need a better fundamental understanding of the capabilities of radar systems for vegetation studies than past studies provide. One approach is the use of theoretical models to predict observable active microwave properties of vegetation. This in turn requires accurate observations of backscattering coefficients and other active microwave properties in field research studies. The background document for the SRAEC program emphasizes the need to relate electromagnetic parameters to classical biophysical descriptors and to understand the role of polarization, especially cross-polarization. The broad goal of this study is to increase the understanding of the effects of canopy structure on the active microwave properties of vegetation canopies, with particular attention to polarization.

Paris, J. F.↗

A study of the kinematic dynamo equation with time-dependent coefficients

During an active star formation epoch the interstellar medium of a galaxy is in a hyperactive state, and the average turbulent velocity is higher than in the long periods between star formation epochs. The galactic magnetic field generated by dynamo action depends strongly on the turbulent velocity, so that generation of magnetic field should vary with star formation activity. This paper is a preliminary study of the kinematic dynamo equation with time-dependent coefficients simulating the time dependence of the star formation activities. Ko and Parker argued in a simple model that the thickness of the dynamo region is the most sensitive dynamo parameter. The present work shows that the effect of inflating the galactic disk suddenly is to transform a stationary magnetic field into a growing field while keeping the profile more or less intact. Plane wave solutions for a dynamo with power-law time-dependent parameters show that the field may decay first and then grow, and vice versa, which is quite different from a constant parameter dynamo.

Ko, Chung-Ming↗

The effects of geopotential resonance on orbit determination for Landsat-4

Analysis is presented demonstrating improved performance for Landsat-4 orbit determination using the Goddard Trajectory Determination System with an adjusted Goddard Earth Model-9 (GEM-9) for geopotential coefficients of the 15th degree and order. The orbital state is estimated along with the sine and cosine coefficients of degree and order 15, (C, S) sub 15,15. The estimates are made for two 5-day intervals of range and doppler data, primarily from the Tracking and Data Relay Satellite, during a period of low solar activity in January 1987. The average values of the estimated coefficients (C, S) sub 15,15 are used to modify the GEM-9 model, and orbit determination performance is tested on 17 consecutive 34-hour operational tracking data arcs in January 1987. Significant reductions in the mean values and standard deviations of the along-track position difference and the drag model scaling parameter from solution to solution are observed. The approach is guided by the shallow resonance theory of geopotential orbit perturbations.

Hoge, S. L.↗

Neotectonics of Asia: Thin-shell finite-element models with faults

As India pushed into and beneath the south margin of Asia in Cenozoic time, it added a great volume of crust, which may have been (1) emplaced locally beneath Tibet, (2) distributed as regional crustal thickening of Asia, (3) converted to mantle eclogite by high-pressure metamorphism, or (4) extruded eastward to increase the area of Asia. The amount of eastward extrusion is especially controversial: plane-stress computer models of finite strain in a continuum lithosphere show minimal escape, while laboratory and theoretical plane-strain models of finite strain in a faulted lithosphere show escape as the dominant mode. We suggest computing the present (or neo)tectonics by use of the known fault network and available data on fault activity, geodesy, and stress to select the best model. We apply a new thin-shell method which can represent a faulted lithosphere of realistic rheology on a sphere, and provided predictions of present velocities, fault slip rates, and stresses for various trial rheologies and boundary conditions. To minimize artificial boundaries, the models include all of Asia east of 40 deg E and span 100 deg on the globe. The primary unknowns are the friction coefficient of faults within Asia and the amounts of shear traction applied to Asia in the Himalayan and oceanic subduction zones at its margins. Data on Quaternary fault activity prove to be most useful in rating the models. Best results are obtained with a very low fault friction of 0.085. This major heterogeneity shows that unfaulted continum models cannot be expected to give accurate simulations of the orogeny. But, even with such weak faults, only a fraction of the internal deformation is expressed as fault slip; this means that rigid microplate models cannot represent the kinematics either. A universal feature of the better models is that eastern China and southeast Asia flow rapidly eastward with respect to Siberia. The rate of escape is very sensitive to the level of shear traction in the Pacific subduction zones, which is below 6 MPa. Because this flow occurs across a wide range of latitudes, the net eastward escape is greater than the rate of crustal addition in the Himalaya. The crustal budget is balanced by extension and thinning, primarily within the Tibetan plateau and the Baikal rift. The low level of deviation stresses in the best models suggests that topographic stress plays a major role in the orogeny; thus, we have to expect that different topography in the past may have been linked with fundamentally different modes of continental collision.

Kong, Xianghong↗

Validation of the IRI-2016 model with Indian NavIC data for future navigation applications

The position accuracy of Navigation with Indian Constellation (NavIC) system is affected by several sources of errors. Among them, the Ionospheric Time Delay (ITD) error is the most predominant one which depends upon the total electron content (TEC) present in the ionosphere. The ITD variations are more intense over low latitude regions due to the equatorial anomaly effects. Hence, modelling of ITD error is necessary. The International Reference Ionosphere (IRI)-2016 model is one of the standard global ionospheric models to estimate the Vertical TEC (VTEC). This paper discusses about the VTEC deviations due to the IRI-2016 model over low latitude Hyderabad station, Indian region using NavIC, Global Positioning System and Global Navigation Satellite System signals at corresponding Ionospheric Pierce Point latitude and longitudes for all months and various Kp indices during the low solar activity year 2017. In this work, cross correlation coefficient, the metric norm (L2N), Symmetric Kullbacke Leibler Distance metrics are used to evaluate the performance of IRI-2016 model TEC with NavIC, GPS and GLONASS data. From the results, it is found that TEC predicted by the IRI-2016 model produced smaller estimation errors with NavIC data over Indian region. The obtained results will be helpful for future updates of IRI model.

42 ENGINEERING↗

Residential Demand Flexibility: Modeling Occupant Behavior using Sociodemographic Predictors

Demand flexibility (DF) has the potential to increase the saturation of renewables in the grid and reduce operating costs for both utilities and customers. However, less than 8% of U.S. residential electric customers are enrolled in DF programs. A major research gap on this topic is an uneven understanding of behavioral drivers of electricity use and DF program participation at the household level. In this study, we employ machine learning models to predict residential occupant behavior in activities relevant to DF. We model occupants' extensive decisions (i.e., choice of action) and intensive behaviors (i.e., amount of time spent) during peak and off-peak time periods using the publicly available American Time Use Survey, which includes activities data for approximately 200,000 respondents. In our machine learning models, predictions for both extensive and intensive behavior fell within a +/-20% error margin at the aggregate level. We identify 13 key sociodemographic predictors of DF-related intensive behavior using LASSO inference and beta coefficient ranking. However, these top predictors differ by activity, suggesting potential scope for differential user targeting for DF events and technologies during program design. This work also contributes to understanding when and who might adopt these DF technologies based on their daily routine activities.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

Active remote sensing of random media

Analytical results for the bistatic scattering coefficients and the backscattering cross sections have been derived for active remote sensing of earth terrain with the model of bounded random media which accounts for volume-scattering effects. It is found that as a result of the effect of the second boundary, the horizontally polarized return can be greater than the vertically polarized return whereas for a half-space random medium the vertically polarized return is always greater than the horizontally polarized return. This is illustrated by matching the theoretical results with experimental data collected from vegetation field.

Zuniga, M.↗

Improvement of the Earth's gravity field from terrestrial and satellite data

The determination of the Earth's gravitational potential can be done through the analysis of satellite perturbations, the analysis of surface gravity data, or both. The combination of the two data types yields a solution that combines the strength of each method: the longer wavelength strength in the satellite analysis with the better high frequency information from surface gravity data. Since 1972, Ohio State has carried out activities that have provided surface gravity data to a number of organizations who have developed combination potential coefficient models that describe the Earth's gravitational potential.

Rapp, Richard H.↗

Robust Gain-Scheduled Fault Tolerant Control for a Transport Aircraft

This paper presents an application of robust gain-scheduled control concepts using a linear parameter-varying (LPV) control synthesis method to design fault tolerant controllers for a civil transport aircraft. To apply the robust LPV control synthesis method, the nonlinear dynamics must be represented by an LPV model, which is developed using the function substitution method over the entire flight envelope. The developed LPV model associated with the aerodynamic coefficient uncertainties represents nonlinear dynamics including those outside the equilibrium manifold. Passive and active fault tolerant controllers (FTC) are designed for the longitudinal dynamics of the Boeing 747-100/200 aircraft in the presence of elevator failure. Both FTC laws are evaluated in the full nonlinear aircraft simulation in the presence of the elevator fault and the results are compared to show pros and cons of each control law.

Shin, Jong-Yeob↗

The Role of Temperature and Humidity on Seasonal Influenza in Tropical Areas: Guatemala, El Salvador and Panama, 2008-2013

Background: The role of meteorological factors on influenza transmission in the tropics is less defined than in the temperate regions. We assessed the association between influenza activity and temperature, specific humidity and rainfall in 6 study areas that included 11 departments or provinces within 3 tropical Central American countries: Guatemala, El Salvador and Panama. Method/ Findings: Logistic regression was used to model the weekly proportion of laboratory-confirmed influenza positive samples during 2008 to 2013 (excluding pandemic year 2009). Meteorological data was obtained from the Tropical Rainfall Measuring Mission satellite and the Global Land Data Assimilation System. We found that specific humidity was positively associated with influenza activity in El Salvador (Odds Ratio (OR) and 95% Confidence Interval of 1.18 (1.07-1.31) and 1.32 (1.08-1.63)) and Panama (OR = 1.44 (1.08-1.93) and 1.97 (1.34-2.93)), but negatively associated with influenza activity in Guatemala (OR = 0.72 (0.6-0.86) and 0.79 (0.69-0.91)). Temperature was negatively associated with influenza in El Salvador's west-central departments (OR = 0.80 (0.7-0.91)) whilst rainfall was positively associated with influenza in Guatemala's central departments (OR = 1.05 (1.01-1.09)) and Panama province (OR = 1.10 (1.05-1.14)). In 4 out of the 6 locations, specific humidity had the highest contribution to the model as compared to temperature and rainfall. The model performed best in estimating 2013 influenza activity in Panama and west-central El Salvador departments (correlation coefficients: 0.5-0.9). Conclusions/Significance: The findings highlighted the association between influenza activity and specific humidity in these 3 tropical countries. Positive association with humidity was found in El Salvador and Panama. Negative association was found in the more subtropical Guatemala, similar to temperate regions. Of all the study locations, Guatemala had annual mean temperature and specific humidity that were lower than the others.

Central America↗

Modeling Europium (II/III) ion solvation in the LiCl-KCl eutectic mixture with polarizable force fields

Here, the solvation processes of Europium (II/III) ions within the molten salt eutectic mixture, 3LiCl-2KCl, are investigated over temperatures ranging from 673 K to 1173 K. New polarizable ion force fields are proposed to model Europium ions in a molten salt eutectic mixture with a goal of accurately capturing the underlying physics in the solutions. In contrast to rigid-ion models, the polarizable Drude model with an adjusted WBK (Wang-Buckingham) force field significantly improves predictions for diffusion coefficients, the average diffusion activation energy, and changes in excess ion chemical potential and partial molar entropy, producing good agreement with experimental measurements.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Partitioning of transition metals between diopside and coexisting silicate liquids. I - Nickel, cobalt, and manganese

Distribution coefficients have been found for the partitioning of Ni, Co, and Mn between calcium-rich clinopyroxenes and coexisting silicate liquids. Values are found for the 1110-1360 C temperature range. The breakdown of Henry's Law was not observed. The measured clinopyroxene/liquid distribution coefficients ranged from 1.5-14.0 for Ni, 0.5-2.0 for Co, and 0.3-1.2 for Mn. Analyses of pyroxenes grown from charges differing in the amounts of transition metals indicate that Ni and Co occupy the M1 site of diopside and that Mn occupies the M1 and M2 sites. Equilibrium constants were found in terms of the activities of the components in the liquid and solid phases. These activities are based on the mole fractions. An activity/concentration model was used for the liquid phase in order to explain the variations in the clinopyroxene/liquid coefficients due to bulk composition.

Lindstrom, D. J.↗

A comprehensive study of the radiative properties of NO—a first step toward a complete air opacity

Here, in this paper we propose a methodology to calculate the radiative properties of the diatomic molecular constituents of air, and utilize the present approach to model the radiative properties of nitrogen monoxide, NO. We also investigate the important physics involved in calculating accurate radiative quantities for air, such as the Planck and Rosseland mean opacities, and emission and absorption coefficients, as well as the couplings accounted for in rovibrational calculations. Complete active space self-consistent field multi-reference configuration interaction (CAS-MRCI) calculations were performed in order to model the NO X 2 Π, a 4 Π, b 4 Σ - , 1 2 Σ + , 2 2 Σ + , 3 2 Σ + , G 2 Σ - , B' 2 Δ, (C, B) 2 2 Π, (H', L) 3 2 Π, and 1 2 Φ adiabatic states, and calculate the respective molecular data. The γ X 2 Π - A 2 Σ + , ε X 2 Π - D 2 Σ + , β' X 2 Π - B' 2 Δ, '11 000 Å' A 2 Σ + - D 2 Σ + , 'infrared' X 2 Π - X 2 Π and X 2 Π - (C, B) 2 2 Π (δ and β) band systems are investigated in monochromatic spectra calculations, as well as the Ogawa a 4 Π - b 4 Σ - band and several other band systems. Several conclusions are drawn, such as the importance of including the Ogawa band, which has not been included in previous air radiative models or comprehensive line-list calculations, as well as the importance of performing coupled rovibrational line-list calculations in order to accurately calculate the Rosseland means. We also found that the additional band systems modeled here contribute significantly to the total Planck and Rosseland means.

74 ATOMIC AND MOLECULAR PHYSICS↗

GOES-R Active Vibration Damping Controller Design, Implementation, and On-Orbit Performance

GOES-R series spacecraft feature a number of flexible appendages with modal frequencies below 3.0 Hz which, if excited by spacecraft disturbances, can be sources of undesirable jitter perturbing spacecraft pointing. In order to meet GOES-R pointing stability requirements, the spacecraft flight software implements an Active Vibration Damping (AVD) rate control law which acts in parallel with the nadir point attitude control law. The AVD controller commands spacecraft reaction wheel actuators based upon Inertial Measurement Unit (IMU) inputs to provide additional damping for spacecraft structural modes below 3.0 Hz which vary with solar wing angle. A GOES-R spacecraft dynamics and attitude control system identified model is constructed from pseudo-random reaction wheel torque commands and IMU angular rate response measurements occurring over a single orbit during spacecraft post-deployment activities. The identified Fourier model is computed on the ground, uplinked to the spacecraft flight computer, and the AVD controller filter coefficients are periodically computed on-board from the Fourier model. Consequently, the AVD controller formulation is based not upon pre-launch simulation model estimates but upon on-orbit nadir point attitude control and time-varying spacecraft dynamics. GOES-R high-fidelity time domain simulation results herein demonstrate the accuracy of the AVD identified Fourier model relative to the pre-launch spacecraft dynamics and control truth model. The AVD controller on-board the GOES-16 spacecraft achieves more than a ten-fold increase in structural mode damping of the fundamental solar wing mode while maintaining controller stability margins and ensuring that the nadir point attitude control bandwidth does not fall below 0.02 Hz. On-orbit GOES-16 spacecraft appendage modal frequencies and damping ratios are quantified based upon the AVD system identification, and the increase in modal damping provided by the AVD controller for each structural mode is presented. The GOES-16 spacecraft AVD controller frequency domain stability margins and nadir point attitude control bandwidth are presented along with on-orbit time domain disturbance response performance.

Active Vibration Damping↗

Hall-coefficient diagnostics of the surface state in pressurized SmB 6

In this study, we report results of the high-pressure Hall coefficient (R H ) measurements in the putative topological Kondo insulator SmB 6 up to 37 GPa. Below 10 GPa, our data reveal that R H (T) exhibits a prominent peak upon cooling below 20 K. Remarkably, the temperature at which surface conduction dominates coincides with the temperature of the peak in R H (T). The temperature dependent resistance and Hall coefficient can be well fitted by a two-channel model with contributions from the metallic surface and the thermally activated bulk states. When the bulk of SmB 6 becomes metallic and magnetic at ~10 GPa, both the R H (T) peak and the resistance plateau disappear simultaneously. Here, our results indicate that the R H (T) peak is a fingerprint to diagnose the presence of a metallic surface state in SmB 6 . The high-pressure magnetic state of SmB 6 is robust to 180 GPa, and no evidence of superconductivity is observed in the metallic phase.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Real-Time Adaptive Drag Minimization Wind Tunnel Investigation of a Flexible Wing with Variable Camber Continuous Trailing Edge Flap System

This paper reports the results of a recently completed real-time adaptive drag minimization wind tunnel investigation of a highly flexible wing wind tunnel model equipped with the Variable Camber Continuous Trailing Flap (VCCTEF) technology at the University of Washington Aeronautical Laboratory (UWAL). The wind tunnel investigation is funded by NASA SBIR Phase II contract with Scientific Systems Company, Inc. (SSCI) and University of Washington (UW) as a subcontractor. The wind tunnel model is a sub-scale Common Research Model (CRM) wing constructed of foam core and fiberglass skin and is aeroelastically scaled to achieve a wing tip deflection of 10% of the wing semi-span which represents a typical wing tip deflection for a modern transport such as Boeing 787. The jig-shape twist of the CRM wing is optimized using a CART3D aero-structural model to achieve the minimum induced drag for the design cruise lift coefficient of 0.5. The wing is equipped with two chord wise cambered segments for each of the six span wise flap sections for a total of 12 individual flap segments that comprise the VCCTEF system. Each of the 12 flap segments is actively controlled by an electric servo-actuator. The real-time adaptive drag optimization strategy includes an on-board aerodynamic model identification, a model excitation, and a real-time drag optimization. The on-board aerodynamic model is constructed parametrically as a function of the angle of attack and flap positions to model the lift and drag coefficients of the wing. The lift coefficient models include a linear model and a second-order model. The drag coefficient models include a quadratic model and a higher-order up to 6th-order model to accurately model the drag coefficient at high angles of attack. The onboard aerodynamic model identification includes a recursive least-squares (RLS) algorithm and a batch least-squares (BLS) algorithm designed to estimate the model parameters. The model excitation method is designed to sample the input set that comprises the angle of attack and the flap positions. Three model excitation methods are developed: random excitation method, sweep method, and iterative angle-of-attack seeking method. The real-time drag optimization includes a generic algorithm developed by SSCI and several optimization methods developed by NASA which include a second-order gradient Newton-Raphson optimization method, an iterative gradient optimization method, a pseudo-inverse optimization method, an analytical optimization method, and an iterative refinement optimization method. The first wind tunnel test entry took place in September 2017. This test revealed major hardware issues and required further redesign of the flap servo mechanisms. The second test entry took place in April 2018. However, the test was not successful due to the issues with the onboard aerodynamic model identification RLS algorithm which incorrectly identified model parameters. This test also provides an experimental comparison study between the VCCTEF and a variable camber discrete trailing edge flap (VCDTEF) without the elastomer transition mechanisms. The experimental result confirms the benefit of the VCCTEF which produces lower drag by 5% than the VCDTEF. The third and final test entry took place in June 2018 after the issues with the RLS algorithm have been identified and corrected. Additional improvements were implemented. These include the BLS algorithm, the iterative angle-of-attack seeking method, the iterative gradient optimization method, and the pseudo-inverse optimization method. The test objectives were successfully demonstrated as the real-time drag optimization identifies several optimal solutions at off-design lift coefficients. The iterative gradient optimization method is found to achieve up to 4.7% drag reduction for the off-design lift coefficient of 0.7. The pseudo-inverse optimization method which does not require the drag coefficient model is found to be quite effective in reducing drag. Up to 9.4% drag reduction for the off-design lift coefficient of 0.7 is achieved with the pseudo-inverse optimization method. The wind tunnel investigation demonstrates the potential of real-time drag optimization technology. Several new capabilities are developed that could enable future adaptive wing technologies for flexible wings equipped with drag control devices such as the VCCTEF.

Drag Optimization↗

Design of an active helicopter control experiment at the Princeton Rotorcraft Dynamics Laboratory

In an effort to develop an active control technique for reducing helicopter vibrations stemming from the main rotor system, a helicopter model was designed and tested at the Princeton Rotorcraft Dynamics Laboratory (PRDL). A description of this facility, including its latest data acquisition upgrade, are given. The design procedures for the test model and its Froude scaled rotor system are also discussed. The approach for performing active control is based on the idea that rotor states can be identified by instrumenting the rotor blades. Using this knowledge, Individual Blade Control (IBC) or Higher Harmonic Control (HHC) pitch input commands may be used to impact on rotor dynamics in such a way as to reduce rotor vibrations. Discussed here is an instrumentation configuration utilizing miniature accelerometers to measure and estimate first and second out-of-plane bending mode positions and velocities. To verify this technique, the model was tested, and resulting data were used to estimate rotor states as well as flap and bending coefficients, procedures for which are discussed. Overall results show that a cost- and time-effective method for building a useful test model for future active control experiments was developed. With some fine-tuning or slight adjustments in sensor configuration, prospects for obtaining good state estimates look promising.

Marraffa, Andrew M.↗