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At least 1,621 records · Page 90

1 H NMR Quantification of Aromatic Monomers from Reductive Catalytic Fractionation

Reductive catalytic fractionation (RCF) can produce high yields of aromatic monomers from lignin in native biomass. Quantification of these aromatic monomers is a well-known but demanding task, in part due to the lack of commercially available standards. Here, we demonstrate 1 H NMR spectroscopy as a complementary method to rapidly quantify aromatic monomer concentrations in RCF oils. The method exhibited good agreement with measurements from ultrahigh pressure liquid chromatography (UHPLC) for 96 RCF oils with varying monomer selectivity, with average absolute deviations of individual monomer yields between 0.5 and 1.1 wt % (relative 11–17%) and R 2 values above 0.9 compared to conventional UHPLC quantification. Quantification of S-type monomers, including for 4-ethylsyringol and 4-propenylsyringol, was generally reliable. The validity of G-type monomer quantifications depended on reaction selectivity due to overlap between peaks of 4-ethylguaiacol and 4-(3-hydroxypropyl)-guaiacol. The method could be applied on crude RCF oils without needing to perform the liquid–liquid extraction typically done for RCF reactions, thereby providing a convenient way to quantify lignin extraction and aromatic monomer yield. Overall, 1 H NMR spectroscopy can serve as a rapid primary quantification or secondary validation method for RCF monomer yield and selectivity measurements.

1H NMR spectroscopy↗

Microscopically based energy density functionals for nuclei using the density matrix expansion. II. Full optimization and validation

Background: Energy density functional methods provide a generic framework to compute properties of atomic nuclei starting from models of nuclear potentials and the rules of quantum mechanics. Until now, the overwhelming majority of functionals have been constructed either from empirical nuclear potentials such as the Skyrme or Gogny forces, or from systematic gradient-like expansions in the spirit of the density functional theory for atoms. Purpose: In this study, we seek to obtain a usable form of the nuclear energy density functional that is rooted in the modern theory of nuclear forces. We thus consider a functional obtained from the density matrix expansion of local nuclear potentials from chiral effective field theory. We propose a parametrization of this functional carefully calibrated and validated on selected ground-state properties that is suitable for large-scale calculations of nuclear properties. Methods: Our energy functional comprises two main components. The first component is a non-local functional of the density and corresponds to the direct part (Hartree term) of the expectation value of local chiral potentials on a Slater determinant. Contributions to the mean field and the energy of this term are computed by expanding the spatial, finite-range components of the chiral potential onto Gaussian functions. The second component is a local functional of the density and is obtained by applying the density matrix expansion to the exchange part (Fock term) of the expectation value of the local chiral potential. We apply the UNEDF2 optimization protocol to determine the coupling constants of this energy functional. Results: We obtain a set of microscopically constrained functionals for local chiral potentials from leading order up to next-to-next-to-leading order with and without three-body forces and contributions from Δ excitations. These functionals are validated on the calculation of nuclear and neutron matter, nuclear mass tables, single-particle shell structure in closed-shell nuclei, and the fission barrier of 240 Pu . Quantitatively, they perform noticeably better than the more phenomenological Skyrme functionals. Conclusions: The inclusion of higher-order terms in the chiral perturbation expansion seems to produce a systematic improvement in predicting nuclear binding energies while the impact on other observables is not really significant. In conclusion, this result is especially promising since all the fits have been performed at the single-reference level of the energy density functional approach, where important collective correlations such as center-of-mass correction, rotational correction, or zero-point vibrational energies have not been taken into account yet.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Autonomous Electrochemistry Platform with Real-Time Normality Testing of Voltammetry Measurements Using ML

Electrochemistry workflows utilize various instruments and computing systems to execute workflows consisting of electrocatalyst synthesis, testing and evaluation tasks. The heterogeneity of the software and hardware of these ecosystems makes it challenging to orchestrate a complete workflow from production to characterization by automating its tasks. We propose an autonomous electrochemistry computing platform for a multi-site ecosystem that provides the services for remote experiment steering, real-time measurement transfer, and AI/ML-driven analytics. We describe the integration of a mobile robot and synthesis workstation into the ecosystem by developing custom hub-networks and software modules to support remote operations over the ecosystem’s wireless and wired networks. We describe a workflow task for generating I-V voltammetry measurements using a potentiostat, and a machine learning framework to ensure their normality by detecting abnormal conditions such as disconnected electrodes. We study a number of machine learning methods for the underlying detection problem, including smooth, non-smooth, structural and statistical methods, and their fusers. We present experimental results to illustrate the effectiveness of this platform, and also validate the proposed ML method by deriving its rigorous generalization equations.

Alnajjar, Anees↗

Worst case estimation of homology design by convex analysis

The methodology of homology design is investigated for optimum design of advanced structures. for which the achievement of delicate tasks by the aid of active control system is demanded. The proposed formulation of homology design, based on the finite element sensitivity analysis, necessarily requires the specification of external loadings. The formulation to evaluate the worst case for homology design caused by uncertain fluctuation of loadings is presented by means of the convex model of uncertainty, in which uncertainty variables are assigned to discretized nodal forces and are confined within a conceivable convex hull given as a hyperellipse. The worst case of the distortion from objective homologous deformation is estimated by the Lagrange multiplier method searching the point to maximize the error index on the boundary of the convex hull. The validity of the proposed method is demonstrated in a numerical example using the eleven-bar truss structure.

Yoshikawa, N.↗

Nonlinear Analysis of Bonded Composite Single-LAP Joints

This study presents a semi-analytical solution method to analyze the geometrically nonlinear response of bonded composite single-lap joints with tapered adherend edges under uniaxial tension. The solution method provides the transverse shear and normal stresses in the adhesive and in-plane stress resultants and bending moments in the adherends. The method utilizes the principle of virtual work in conjunction with von Karman s nonlinear plate theory to model the adherends and the shear lag model to represent the kinematics of the thin adhesive layer between the adherends. Furthermore, the method accounts for the bilinear elastic material behavior of the adhesive while maintaining a linear stress-strain relationship in the adherends. In order to account for the stiffness changes due to thickness variation of the adherends along the tapered edges, their in-plane and bending stiffness matrices are varied as a function of thickness along the tapered region. The combination of these complexities results in a system of nonlinear governing equilibrium equations. This approach represents a computationally efficient alternative to finite element method. Comparisons are made with corresponding results obtained from finite-element analysis. The results confirm the validity of the solution method. The numerical results present the effects of taper angle, adherend overlap length, and the bilinear adhesive material on the stress fields in the adherends, as well as the adhesive, of a single-lap joint

Oterkus, E.↗

Validation of Cardiovascular Parameters During NASA's Functional Task Test

Microgravity-induced physiological changes, including cardiovascular deconditioning may impair crewmembers f capabilities during exploration missions on the Moon and Mars. The Functional Task Test (FTT), which will be used to assess task performance in short and long duration astronauts, consists of 7 functional tests to evaluate crewmembers f ability to perform activities to be conducted in a partial-gravity environment or following an emergency landing on Earth. The Recovery from Fall/Stand Test (RFST) tests both the subject fs ability to get up from a prone position and orthostatic intolerance. PURPOSE: Crewmembers have never become presyncopal in the first 3 min of quiet stand, yet it is unknown whether 3 min is long enough to cause similar heart rate fluctuations to a 5-min stand. The purpose of this study was to validate and test the reliability of heart rate variability (HRV) analysis of a 3-min quiet stand. METHODS: To determine the validity of using 3 vs. 5-min of standing to assess HRV, 7 healthy subjects remained in a prone position for 2 min, stood up quickly and stood quietly for 6 min. ECG and continuous blood pressure data were recorded. Mean R-R interval and spectral HRV were measured in minutes 0-3 and 0-5 following the heart rate transient due to standing. Significant differences between the segments were determined by a paired t-test. To determine the reliability of the 3-min stand test, 13 healthy subjects completed 3 trials of the complete FTT on separate days, including the RFST with a 3-min stand test. Analysis of variance (ANOVA) was performed on the HRV measures. RESULTS: Spectral HRV measures reflecting autonomic activity were not different (p>0.05) during the 0-3 and 0-5 min segment (mean R-R interval: 738+/-74 ms, 728+/-69 ms; low frequency to high frequency ratio: 6.5+/-2.2, 7.7+/-2.7; normalized high frequency: 0.19+/-0.03, 0.18+/-0.04). The average coefficient of variation for mean R-R interval, systolic and diastolic blood pressures in the prone position and stand test were less than 8% for the test sessions. ANOVA results yielded a greater inter-subject variability (p.0.006) than inter-session variability (p>0.05) for HRV in the stand test. CONCLUSION: These studies show that a 3 minute stand delivers repeatable cardiovascular heart rate and BP data in the context of this larger series of tests such as the FTT.

Arzeno, N. M.↗

Crack Growth Behavior in the Threshold Region for High Cycle Fatigue Loading

This paper describes the results of a research program conducted to improve the understanding of fatigue crack growth rate behavior in the threshold growth rate region and to answer a question on the validity of threshold region test data. The validity question relates to the view held by some experimentalists that using the ASTM load shedding test method does not produce valid threshold test results and material properties. The question involves the fanning behavior observed in threshold region of da/dN plots for some materials in which the low R-ratio data fans out from the high R-ratio data. This fanning behavior or elevation of threshold values in the low R-ratio tests is generally assumed to be caused by an increase in crack closure in the low R-ratio tests. Also, the increase in crack closure is assumed by some experimentalists to result from using the ASTM load shedding test procedure. The belief is that this procedure induces load history effects which cause remote closure from plasticity and/or roughness changes in the surface morphology. However, experimental studies performed by the authors have shown that the increase in crack closure is a result of extensive crack tip bifurcations that can occur in some materials, particularly in aluminum alloys, when the crack tip cyclic yield zone size becomes less than the grain size of the alloy. This behavior is related to the high stacking fault energy (SFE) property of aluminum alloys which results in easier slip characteristics. Therefore, the fanning behavior which occurs in aluminum alloys is a function of intrinsic dislocation property of the alloy, and therefore, the fanned data does represent the true threshold properties of the material. However, for the corrosion sensitive steel alloys tested in laboratory air, the occurrence of fanning results from fretting corrosion at the crack tips, and these results should not be considered to be representative of valid threshold properties because the fanning is eliminated when testing is performed in dry air.

Forman, R. G.↗

Parametric Analysis of Aircraft WingWeight Using Low-Order Physics-Based Analysis

In the conceptual aircraft design phase, prediction of the empty weight typically relies on empirically-based regression equations which execute quickly and require little detailed information about the internal structural layout. Since they are based on existing aircraft, however, empirical methods can lose their validity for newer technologies and unconventional configurations. Designers can transition to higher-order, physics-based analysis methods to improve the accuracy of the weight prediction, but at the cost of complex model setup and increased computational time. This paper describes a methodology for low-order aero-structural analysis of conceptual aircraft configurations that increases the use of physics-based analysis in conceptual design, but is less complex and time-consuming than higher-order methods such as finite-element analysis. The methodology uses Vehicle Sketch Pad (OpenVSP) to model the aircraft geometry, and ASWING to perform the aero-structural analysis. The internal forces and moments from the ASWING analysis are post-processed to calculate the resulting direct and shear stresses in the structure, and the thickness distributions of the aircraft components are varied to match the maximum von Mises stress at each cross section to the material allowable. To offset the increased computational time relative to empirical weight equations, a process is studied which uses parametric variation to develop a regression equation relating the weight of the aircraft wing to major design variables. This new weight equation is similar to existing empirical equations, but is built using the more physics-based methodology; the new equation could be used to augment or replace portions of the empirical database to improve the validity of the wing weight prediction for unconventional configurations and advanced technologies.

Olson, Erik D.↗

The Science, Engineering, and Validation of Marine Carbon Dioxide Removal and Storage

Scenarios to stabilize global climate and meet international climate agreements require rapid reductions in human carbon dioxide (CO 2 ) emissions, often augmented by substantial carbon dioxide removal (CDR) from the atmosphere. While some ocean-based removal techniques show potential promise as part of a broader CDR and decarbonization portfolio, no marine approach is ready yet for deployment at scale because of gaps in both scientific and engineering knowledge. Marine CDR spans a wide range of biotic and abiotic methods, with both common and technique-specific limitations. Further targeted research is needed on CDR efficacy, permanence, and additionality as well as on robust validation methods—measurement, monitoring, reporting, and verification—that are essential to demonstrate the safe removal and long-term storage of CO 2 . Engineering studies are needed on constraints including scalability, costs, resource inputs, energy demands, and technical readiness. Research on possible co-benefits, ocean acidification effects, environmental and social impacts, and governance is also required.

climate mitigation↗

Hydrocarbon Cold-Flow Simulation of LOX/LH2 Rocket Aerodynamics

In FY19, this project developed a test method which employed heated ethane in the physical simulation of rocket plume aerodynamics. Based on this work, EUS partnered with significant leveraged funding. A portable, self-contained test bed was also fabricated to support validation of the new method. In FY20, this project focused on the formal validation of ethane’s performance as an aerodynamic simulant as well as the development of the analytical and hardware infrastructure required to carry out that task. The test bed was activated, a series of heated-ethane tests on one or more rocket/diffuser configurations were conducted, and characterizations of the performance of the ethane simulation compared to hot-fire were performed. A series of 127 tests were conducted on 13 aerodynamic configurations to evaluate ethane’s performance as a simulant. It was found that the new methodology can reproduce rocket plume flow fields with +/- 0.5% pressure error at ~3% physical scale. The result is a cost-per-test reduction of ~99% compared to the hot-fire subscale testing typically used to obtain equivalent data. Some initial efforts have taken place, and future efforts are being planned with LaRC supersonic retro propulsion and MSFC SLS aerodynamics teams, which are interested in using the ethane system to wind-tunnel test human-rated Mars lander retrorockets and SLS Booster. Details of the prototypical experiments were published as NASA TM 2020-5009122,and have been presented in JANNAF Virtual Conference paper, "New Developments in Retro propulsion Testing for Mars Entry, Descent and Landing".

Daniel Jones↗

Using Lunar Observations to Validate Pointing Accuracy and Geolocation, Detector Sensitivity Stability and Static Point Response of the CERES Instruments

Validation of in-orbit instrument performance is a function of stability in both instrument and calibration source. This paper describes a method using lunar observations scanning near full moon by the Clouds and Earth Radiant Energy System (CERES) instruments. The Moon offers an external source whose signal variance is predictable and non-degrading. From 2006 to present, these in-orbit observations have become standardized and compiled for the Flight Models -1 and -2 aboard the Terra satellite, for Flight Models-3 and -4 aboard the Aqua satellite, and beginning 2012, for Flight Model-5 aboard Suomi-NPP. Instrument performance measurements studied are detector sensitivity stability, pointing accuracy and static detector point response function. This validation method also shows trends per CERES data channel of 0.8% per decade or less for Flight Models 1-4. Using instrument gimbal data and computed lunar position, the pointing error of each detector telescope, the accuracy and consistency of the alignment between the detectors can be determined. The maximum pointing error was 0.2 Deg. in azimuth and 0.17 Deg. in elevation which corresponds to an error in geolocation near nadir of 2.09 km. With the exception of one detector, all instruments were found to have consistent detector alignment from 2006 to present. All alignment error was within 0.1o with most detector telescopes showing a consistent alignment offset of less than 0.02 Deg.

Daniels, Janet L.↗

Sound speed determination in copper shock compressed to 190 GPa

Sound speed measurements in shock compressed solids have long been valuable for the development of equations of state at extreme conditions, shock-induced phase transformations, and a comprehensive characterization of the thermophysical response of high-pressure standards. We present results from plate impact experiments to 190 GPa to determine the longitudinal sound speed in copper—an important high-pressure standard. Surprisingly, the sound speeds determined using the two most common experimental techniques—the front surface impact (FSI) approach and the release wave overtake (RWO) approach—diverge significantly for stresses greater than ~100 GPa. Further analyses, including numerical simulations, show that the FSI experiments provide the correct sound speeds and that fundamental assumptions underlying the RWO method are likely violated due to the complex release response of shock compressed copper. The sound speeds determined using the FSI approach provide for a more accurate high-pressure description of copper in dynamic compression experiments. The present findings are in contrast to the results for shock compressed silver [Wallace et al., Phys. Rev. B 104, 214106 (2021)], where both methods provided consistent sound speed results. Thus, the findings presented here demonstrate the need to experimentally verify the validity of the RWO method on a case-by-case basis. Finally, we note that even at the high stresses in the present work, the copper unloading response shows a time-dependent, quasielastic response often observed in metals at lower stresses.

36 MATERIALS SCIENCE↗

The Ground Truth Program: Simulations as Test Beds for Social Science Research Methods.

Social systems are uniquely complex and difficult to study, but understanding them is vital to solving the world’s problems. The Ground Truth program developed a new way of testing the research methods that attempt to understand and leverage the Human Domain and its associated complexities. The program developed simulations of social systems as virtual world test beds. Not only were these simulations able to produce data on future states of the system under various circumstances and scenarios, but their causal ground truth was also explicitly known. Research teams studied these virtual worlds, facilitating deep validation of causal inference, prediction, and prescription methods. The Ground Truth program model provides a way to test and validate research methods to an extent previously impossible, and to study the intricacies and interactions of different components of research.

97 MATHEMATICS AND COMPUTING↗

Verification and Validation of Flow Confinement Modeling using OpenFAST Source Panel Method

Blockage or flow confinement effects in scale wind and water turbine testing in experimental facilities, including wind and water tunnels and tow tanks, can significantly alter incident aerodynamic and hydrodynamic loads, turbine performance (thrust, torque, power output), and wake dynamics compared to unconfined conditions. As scale model tests are key sources of OpenFAST model validation measurements, directly modeling flow confinement and its effects in OpenFAST enables improved model validat

Kim, Dongyoung [Sandia National Laboratories (SNL-↗

Implementation and Validation of an Impedance Eduction Technique

Implementation of a pressure gradient method of impedance eduction in two NASA Langley flow ducts is described. The Grazing Flow Impedance Tube only supports plane-wave sources, while the Curved Duct Test Rig supports sources that contain higher-order modes. Multiple exercises are used to validate this new impedance eduction method. First, synthesized data for a hard wall insert and a conventional liner mounted in the Grazing Flow Impedance Tube are used as input to the two impedance eduction methods, the pressure gradient method and a previously validated wall pressure method. Comparisons between the two results are excellent. Next, data measured in the Grazing Flow Impedance Tube are used as input to both methods. Results from the two methods compare quite favorably for sufficiently low Mach numbers but this comparison degrades at Mach 0.5, especially when the hard wall insert is used. Finally, data measured with a hard wall insert mounted in the Curved Duct Test Rig are used as input to the pressure gradient method. Significant deviation from the known solution is observed, which is believed to be largely due to 3-D effects in this flow duct. Potential solutions to this issue are currently being explored.

Watson, Willie R.↗

Standardization of Spore Inactivation Method for PMA-PhyloChip Analysis

In compliance with the Committee on Space Research (COSPAR) planetary protection policy, National Aeronautics and Space Administration (NASA) monitors the total microbial burden of spacecraft as a means for minimizing the inadvertent transfer of viable contaminant microorganisms to extraterrestrial environments (forward contamination). NASA standard assay-based counts are used both as a proxy for relative surface cleanliness and to estimate overall microbial burden as well as to assess whether forward planetary protection risk criteria are met for a given mission, which vary by the planetary body to be explored and whether or not life detection missions are present. Despite efforts to reduce presence of microorganisms from spacecraft prior to launch, microbes have been isolated from spacecraft and associated surfaces within the extreme conditions of clean room facilities using state of the art molecular technologies. Development of a more sensitive method that will better enumerate all viable microorganisms from spacecraft and associated surfaces could support future life detection missions. Current culture-based (NASA standard spore assay) and nucleic-acid-based polymerase chain reaction (PCR) methods have significant shortcomings in this type of analysis. The overall goal of this project is to evaluate and validate a new molecular method based on the use of a deoxyribonucleic acid (DNA) intercalating agent propidium monoazide (PMA). This is used in combination with DNA microarray (PhyloChip) which has been shown to identify very low levels of organisms on spacecraft associated surfaces. PMA can only penetrate the membrane of dead cells. Once penetrated, it intercalates the DNA and, upon photolysis using visible light it produces stable DNA monoadducts. This allows DNA to be unavailable for further PCR analysis. The specific aim of this study is to standardize the spore inactivation method for PMA-PhyloChip analysis. We have used the bacterial spores Bacillus subtilis 168 (standard laboratory isolate) as a test organism.

spore inactivation↗

Optimal Control Prediction Method for Control Allocation

This paper proposes a novel prediction method for online optimal control allocation that extends the volume of moments achievable with the Moore-Penrose generalized inverse to the entire Attainable Moment Set. This method formulates the control allocation problem using selected basis vectors and associated gains which reduces the optimization problem dimensions and provides physical insight into the resulting optimal solutions. The proposed algorithm finds the entire family of unique optimal control solutions along the desired moment vector from the origin to the boundary of the Attainable Moment Set. Numerical results for the Moore-Penrose prediction method show that the unique minimal controls obtained yield the desired moment with near machine precision accuracy while maintaining control effectors within specified position limits. This method has been fully validated against the unique solution obtained on the boundary of the Attainable Moment Set using the Durham Direct Allocation method. Minimal control solutions obtained for moments in the interior of the Attainable Moment Set, similarly yield the desired moment to near machine precision while providing control solutions that are smaller (i.e. 2-norm) than solutions found with traditional control allocation algorithms (e.g. interior point methods) applied to the minimal control problem. Numerical simulations using a Matlab® autocoded executable (MEX) for the representative real world problem of 3-moments with 20 individual control effectors and prescribed control position limits show a mean computation speed of approximately 125 Hz which is sufficient to enable real-time flight allocation.

Acheson, Michael J.↗

Crop Stem Width Estimation in Highly Cluttered Field Environment

We present two methods for estimation of crop stem width on small mobile robots. Stem width is an important phenotype needed by breeders and plant-biologists to measure plant growth, however, its manual measurement is cumbersome, in-accurate, and inefficient. The presented methods use a common image processing core that is designed to extract the foreground in the presence of significant leaf and stem clutter, view of other rows, and varying lighting, from a side-facing USB camera mounted on a small mobile robot. Using the extracted foreground, one approach uses estimates of robot velocity from wheel encoders and dense optical flow to estimate depth, while the other employs filtering of the LIDAR 2-D point cloud to estimate the depth. Both methods have been exhaustively validated against available hand-measurements on biomass sorghum (Sorghum bicolor) in real experimental fields. Experiments indicate that both methods are also applicable to other crops with cylindrical stems without significant modifications. The width estimation match on sorghum is 92.5% (using vision) and 98.2% (using vision and LIDAR) when compared against manual measurements by trained agronomists. Thus, our results clearly establish the feasibility of using small robots for stem-width estimation in realistic field settings. Furthermore, the techniques presented here can be utilized for automating other phenotypic measurements.

Choudhuri, Anwesa↗