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A semblance measure for model comparison

Algorithmic and computational advances have made it possible that geophysical survey and earth model design can be aided by many systematic trial inverse-modelling runs with synthetic data. Such may, for example, come up in machine-learning approaches. Automated image appraisal pertaining to such applications will involve common statistical tests for goodness-of-data fit as a primary evaluation method. However, solution non-uniqueness may render multiple images equivalent in terms of their data fit, requiring secondary categorizers. A logical choice for classifying synthetic-imaging results quantifies the goodness of model fit where a known reference model replaces the observational input. The task of model intercomparison in terms of measuring the resemblance to the reference model poses challenges to common distance-based metrics like root mean square error and mean absolute error. First, distance-based metrics can introduce spurious contributions when smooth models with fuzzy target contours are to be compared against a sharp reference. Second, large differences due to parameter-estimation overshoots can dominate distance metrics. Here, we propose a remedy that is referred to as semblance and is based on the idea of logistic functions, where a binary-dependent variable adds non-zero or zero accumulation terms for the, respectively, passing or failing of preset target thresholds. This classifying approach is amenable to an objective where model feature recognition is primary. Numerical comparisons to distance-based metrics provide evidence for the advantages of the semblance in view of this objective. Geophysical imaging in conjunction with machine-learning is seen as a benefitting upcoming application area.

58 GEOSCIENCES↗

The linker protein ApcI regulates light harvesting under red light in Synechocystis sp. PCC 6803

Phycobilisomes (PBSs) are versatile cyanobacterial antenna complexes that harvest light energy to drive photosynthesis. They can adapt to various light conditions; for example, dismantling under high light to prevent photo-oxidation and arranging in rows under low light to increase light harvesting efficiency. Light quality also influences PBS structure and function, as observed under far-red light exposure. Here, we describe a PBS linker protein, ApcI (previously hypothetical protein Sll1911), expressed specifically under red light (620 nm) or upon chemically induced reduction of the plastoquinone pool. We characterized ApcI in Synechocystis sp. PCC 6803 using mutant analyses, PBS binding experiments, and protein interaction studies. Deletion of apcI conferred high light tolerance on Synechocystis sp. PCC 6803 compared to the wild-type strain, leading to reduced energy transfer from PBSs to the photosystems under high light. Binding experiments revealed that ApcI replaces the linker protein ApcG at the membrane-facing side of the PBS core via a paralogous C-terminal motif. Additionally, the N-terminal region of ApcI interacts with photosystem II. Our findings highlight the importance of PBS remodeling for adaptation to different light conditions. The characterization of ApcI provides insight into the mechanisms by which cyanobacteria optimize light harvesting in response to varying light conditions.

Photosystem↗

Electrochemical Measurement of Water Transport Numbers in Anion-Exchange Membranes

Anion-exchange membranes (AEMs) are a possible replacement for perfluorosulfonic-acid membranes in energy-conversion devices, primarily due to the hydroxide mobile ion allowing the devices to operate in alkaline conditions with less expensive electrocatalysts. However, the transport properties of AEMs remain understudied, especially electro-osmosis. In this work, an electrochemical technique, where the open-circuit voltage is measured between two ends of a membrane maintained at different relative humidities, is used to determine the water transport number of various ionomers, including Versogen and Sustainion AEMs and Nafion cation-exchange membrane (CEM), as a function of water content and temperature. In addition, the CEMs and AEMs are examined in differing single-ion forms, specifically proton and sodium (CEM) and hydroxide and carbonate (AEM). Carbonate-form AEMs have the highest transport number (∼11), followed by sodium-form CEMs (∼8), hydroxide-form AEMs (∼6), and proton-form CEMs (∼3). Finally, a multicomponent transport model based on the Stefan-Maxwell-Onsager framework of binary interactions is used to develop a link between water transport number and water-transport properties, extracting a range for the unmeasured membrane water permeability of Versogen as a function of water content.

30 DIRECT ENERGY CONVERSION↗

IDAES-PSE 2.6.0 Release

The Institute for the Design of Advanced Energy Systems (IDAES) Integrated Platform is a versatile computational environment offering extensive process systems engineering (PSE) capabilities for optimizing the design and operation of complex, interacting technologies and systems. IDAES enables users to efficiently search vast, complex design spaces to discover the lowest cost solutions while supporting the full process modeling lifecycle, from conceptual design to dynamic optimization and control. The extensible, open platform empowers users to create models of novel processes and rapidly develop custom analyses, workflows, and end-user applications. IDAES-PSE 2.6.0 Release Highlights Upcoming Changes IDAES will be switching to the new Pyomo solver interface in the next release. Whilst this will hopefully be a smooth transition for most users, there are a few important changes to be aware of. The new solver interface uses a different version of the IPOPT writer (“ipopt_v2”) and thus any custom configuration options you might have set for IPOPT will not carry over and will need to be reset. By default, the new Pyomo linear presolver will be activated with ipopt_v2. Whilst are working to identify any bugs in the presolver, it is possible that some edge cases will remain. IDAES will begin deploying a new set of scaling tools and APIs over the next few releases that make use of the new solver writers. The old scaling tools and APIs will remain for backward compatibility but will begin to be deprecated. New Models, Tools and Features New Intersphinx extension automatically linking Jupyter notebook examples to project documentation New end-to-end diagnostics example demonstrated on a real problem New complementarity formulation for VLE with cubic equations of state, backward compatibility for old formulation New solver interface with presolve (ipopt_v2) in support of upcoming changes to the initialization and APIs methods, with default set to ipopt to maintain backwards compatibility; this will deprecate once all examples have been updated New forecaster and parameterized bidder methods within grid integration library Updated surrogates API and examples to support Keras 3, with backwards compatibility for older formats such as TensorFlow SavedModel (TFSM) Updated costing base dictionary to include the 2023 cost year index value Updated ProcessBlock to include information on the constructing block class Updated Flowsheet Visualizer to allow visualize() method to return value and functions Bug Fixes Fixed bug in the Modular Property Framework that would cause errors when trying to use phase-based material balances with phase equilibria. Fixed bug in Modular Properties Framework that caused errors when initializing models with non-vapor-liquid phase equilibria. Fixed typos flagged by June update to crate-ci/typos and removed DMF-related exceptions Minor corrections of units of measurement handling in power plant waste/transport costing expressions, control volume material holdup expressions, and BTX property package parameters Fixed throwing >7500 numpy deprecation warnings by replacing scalar value assignment with element extraction and item iteration calls Testing and Robustness Migrated slow tests (>10s) to integration, impacting test coverage but also yielding a nearly 30% decrease in local test runtime Pinned pint to avoid issues with older supported Python versions Pinned codecov versions to avoid tokenless upload behavior with latest version Bumped extensions to version 3.4.2 to allow pointing to non-standard install location Deprecations and Removals Python 3.8 is no longer supported. The supported Python versions are 3.9 through 3.12 The Data Management Framework (DMF) is no longer supported. Importing idaes.core.dmf will cause a deprecation warning to be displayed until the next release The SOFC Keras surrogates have been removed. The current version of the SOFC surrogate model in the examples repository is a PySMO Kriging model.

AS↗

Propagation of wide bandwidth signals through strongly turbulent ionized media

Analytic and numerical techniques are presented which directly address the problem of propagation of wide bandwidth signals through random ionized media. This work is applicable to the problems of satellite communication and space based radar observation through a disturbed ionospheric propagation channel that would result from a high altitude chemical release or nuclear detonation. An analytic solution is presented for the two-position, two-frequency mutual coherence function for spherical wave propagation in the strong scattering limit. This solution is used to derive simple expressions for the power impulse response function and to determine its relationship to the important parameters of decorrelation distance and coherence bandwidth which describe the disturbed propagation channel. Results for mean time delay and time delay jitter are presented and compared to direct simulation results and to other theoretical calculations. A numerical/analytical solution to the parabolic wave equation is presented in the form of a multiple phase-screen (MPS) propagation simulation. In this very general solution technique, the random medium is divided into a finite number of layers. The field fluctuation through each layer is obtained by replacing the layer by a centrally located thin phase-screen, whose statistical properties are determined from the statistics of the electron-density irregularities. The waveform then propagates from phase-screen to phase-screen via an exact solution to the Fresnel-Kirchnoff equation. For wide bandwidth waveforms, numerical solutions are obtained at a number of discrete frequencies centered about the carrier and then time-domain solutions are obtained by Fourier transform techniques. Detailed results are presented for a number of interesting cases including propagation of a 20 MHz bandwidth signal through a finite barium cloud at a carrier frequency of 100 MHz. One of the major uses of the MPS propagation simulation has been to provide realizations of the received signal after propagation through a disturbed channel. The MPS simulation obtains a general solution of the parabolic wave equation under both weak and strong scattering conditions. A second technique to directly obtain realizations of wide bandwidth waveforms is presented here. This technique is limited to the case of strong scattering but requires only a fraction of the computer resources needed for MPS signal generation. Detailed comparisons of the two signal generation techniques are presented.

Random Media↗

Vortex breakdown simulation

In this paper, steady, axisymmetric inviscid, and viscous (laminar) swirling flows representing vortex breakdown phenomena are simulated using a stream function-vorticity-circulation formulation and two numerical methods. The first is based on an inverse iteration, where a norm of the solution is prescribed and the swirling parameter is calculated as a part of the output. The second is based on direct Newton iterations, where the linearized equations, for all the unknowns, are solved simultaneously by an efficient banded Gaussian elimination procedure. Several numerical solutions for inviscid and viscous flows are demonstrated, followed by a discussion of the results. Some improvements on previous work have been achieved: first order upwind differences are replaced by second order schemes, line relaxation procedure (with linear convergence rate) is replaced by Newton's iterations (which converge quadratically), and Reynolds numbers are extended from 200 up to 1000.

Hafez, M.↗

Robotic technologies of the Flight Telerobotic Servicer (FTS) including fault tolerance

The original FTS concept for Space Station Freedom (SSF) was to provide telerobotic assistance to enhance crew activity and safety and to reduce crew EVA (Extra Vehicular Activity) activity. The first flight of the FTS manipulator systems would demonstrate several candidate tasks and would verify manipulator performance parameters. These first flight tasks included unlocking a SSF Truss Joint, mating/demating a fluid coupling, contact following of a contour board, demonstrating peg-in-hole assembly, and grasping and moving a mass. Future tasks foreseen for the FTS system included ORU (Orbit Replaceable Unit) change-out, Hubble Space Telescope Servicing, Gamma Ray Observatory refueling, and several in-situ SSF servicing and maintenance tasks. Operation of the FTS was planned to evolve from teleoperation to fully autonomous execution of many tasks. This wide range of mission tasks combined with the desire to evolve toward fully autonomy forced several requirements which may seen extremely demanding to the telerobotics community. The FTS requirements appear to have been created to accommodate the open-ended evolution plan such that operational evolution would not be impeded by function limitations. A recommendation arising from the FTS program to remedy the possible impacts from such ambitious requirements is to analyze candidate robotic tasks. Based on these task analyses, operational impacts against development impacts were weighed prior to requirements definition. Many of the FTS requirements discussed in the following sections greatly influenced the development cost and schedule of the FTS manipulator. The FTS manipulator has been assembled at Martin Marietta and is currently in testing. Successful component tests indicate a manipulator which achieves unprecedented performance specifications.

Chladek, John T.↗

Pulsed plasma thrusters for small spacecraft attitude control

Pulsed Plasma Thrusters (PPTS) are a new option for attitude control of a small spacecraft and may result in reduced attitude control system (ACS) mass and cost. The primary purpose of an ACS is to orient the spacecraft to the desired accuracy in inertial space. The ACS functions for which the PPT system will be analyzed include disturbance torque compensation, and slewing maneuvers such as sun acquisition for which the small impulse bit and high specific impulse of the PPT offers unique advantages. The NASA Lewis Research Center (LERC) currently has a contracted flight PPT system development program in place with Olin Aerospace with a delivery date of October 1997. The PPT systems in this study are based upon the work being done under the NASA LERC program. Analysis of the use of PPTs for ACS showed that the replacement of the standard momentum wheels and torque rods with a PPT system to perform the attitude control maneuvers on a small low Earth orbiting spacecraft reduced the ACS mass by 50 to 75% with no increase in required power level over comparable wheel-based systems, though rapid slewing power requirements may present an issue.

McGuire, Melissa L.↗

SSME to RS-25: Challenges of Adapting a Heritage Engine to a New Vehicle Architecture

Following the cancellation of the Constellation program and retirement of the Space Shuttle, NASA initiated the Space Launch System (SLS) program to provide next-generation heavy lift cargo and crew access to space. A key constituent of the SLS architecture is the RS-25 engine, also known as the Space Shuttle Main Engine (SSME). The RS-25 was selected to serve as the main propulsion system for the SLS core stage in conjunction with the solid rocket boosters. This selection was largely based on the maturity and extensive experience gained through 135 missions, 3000+ ground tests, and over a million seconds total accumulated hot-fire time. In addition, there were also over a dozen functional flight assets remaining from the Space Shuttle program that could be leveraged to support the first four flights. However, while the RS-25 is a highly mature system, simply unbolting it from the Space Shuttle boat-tail and installing it on the new SLS vehicle is not a "plug-and-play" operation. In addition to numerous technical integration details involving changes to significant areas such as the environments, interface conditions, technical performance requirements, operational constraints and so on, there were other challenges to be overcome in the area of replacing the obsolete engine control system (ECS). While the magnitude of accomplishing this effort was less than that needed to develop and field a new clean-sheet engine system, the path to the first flight of SLS has not been without unexpected challenges.

Ballard, Richard O.↗

TPSAS-NF1676L-31522-DND

Currently, there are limitations in launch capability regarding requisite payload volume and mass for long duration extra-terrestrial missions. In-space additive manufacturing may provide a solution to this challenge and is applicable for articles ranging from large system and subsystem architectures to small consumables and replacement articles. For small articles, additive manufacturing is becoming more feasible through advances in instrumentation and novel manufacturing strategies capable of generating complex shapes. Many approaches, however, utilize feedstock materials that, once consumed, must be replenished before additional architectures can be generated. Thus, although promising, a major challenge with additive manufacturing is the required starting materials to support on-demand article generation. This presentation describes research toward reversibly assembling materials that can revert to the starting material state for subsequent fabrication. Polyimides were synthesized with thermally reversible Diels-Alder reaction functionalities, furan or maleimide moieties. These materials were characterized utilizing typical spectroscopic, thermal, and mechanical techniques. Amine hardener-enriched epoxy microparticles were synthesized for use as a mechanically robust substrate. Integration of these technologies into a single system and application toward generation of secondary structures on a launch vehicle as a means of in-situ resource utilization will be described.

Christopher J. Wohl↗

Satellite Soil Moisture Data Assimilation Impacts on Modeling Weather Variables and Ozone in the Southeastern US – Part 2: Sensitivity to Dry-Deposition Parameterizations

Ozone (O3) dry deposition is a major O3 sink. As a follow-up study of Huang et al. (2021), we quantify the impact of satellite soil moisture (SM) on model representations of this process when different dry-deposition parameterizations are implemented, based on which the implications for interpreting O3 air pollution levels and assessing the O3 impacts on human and ecosystem health are provided. The SM data from NASA's Soil Moisture Active Passive mission are assimilated into the Noah-Multiparameterization (Noah-MP) land surface model within the NASA Land Information System framework, semicoupled with Weather Research and Forecasting model with online Chemistry (WRF-Chem) regional-scale simulations covering the southeastern US. Major changes in the modeling system used include enabling the dynamic vegetation option, adding the irrigation process, and updating the scheme for the surface exchange coefficient. Two dry-deposition schemes are implemented, i.e., the Wesely scheme and a “dynamic” scheme, in the latter of which dry-deposition parameterization is coupled with photosynthesis and vegetation dynamics. It is demonstrated that, when the dynamic scheme is applied, the simulated O3 dry-deposition velocities vd and their stomatal and cuticular portions, as well as the total O3 fluxes Ft, are larger overall; vd and Ft are 2–3 times more sensitive to the SM changes due to the data assimilation (DA). Further, through case studies at two forested sites with different soil types and hydrological regimes, we highlight that, applying the Community Land Model type of SM factor controlling stomatal resistance (i.e., β factor) scheme in replacement of the Noah-type β factor scheme reduced the v(d) sensitivity to SM changes by ∼75 % at one site, while it doubled this sensitivity at the other site. Referring to multiple evaluation datasets, which may be associated with variable extents of uncertainty, the model performance of vegetation, surface fluxes, weather, and surface O3 concentrations shows mixed responses to the DA, some of which display land cover dependency. Finally, using model-derived concentration- and flux-based policy-relevant O3 metrics as well as their matching exposure–response functions, the relative biomass/crop yield losses for several types of vegetation/crops are estimated to be within a wide range of 1 %–17 %. Their sensitivities to the model's dry-deposition scheme and the implementation of SM DA are discussed.

Min Huang↗

Boron nitride on SiC(0001)

Here, in the field of van der Waals heterostructures, the twist angle between stacked two-dimensional layers has been identified to be of utmost importance for the properties of the heterostructures. In this context, we previously reported the growth of a single layer of unconventionally oriented epitaxial graphene that forms in a surfactant atmosphere [F. C. Bocquet et al., Phys. Rev. Lett. 125, 106102 (2020)]. The resulting G-R0° layer is aligned with the SiC lattice, and hence represents an important milestone towards high-quality twisted bilayer graphene, a frequently investigated model system in this field. Here, we focus on the surface structures obtained in the same surfactant atmosphere, but at lower preparation temperatures at which a boron nitride template layer forms on SiC(0001). In a comprehensive study based on complementary experimental and theoretical techniques, we find—in contrast to the literature—that this template layer is a hexagonal B x N y layer, but not high-quality hBN. It is aligned with the SiC lattice and gradually replaced by low-quality graphene in the 0° orientation of the B x N y template layer upon annealing.

36 MATERIALS SCIENCE↗

Editorial: Lignocellulose valorization: Fractionation, conversion and applications

Lignocellulosic biomass is the most abundant form of renewable feedstock on the Earth. Chemicals, energies, and materials derived from lignocellulosic biomass are renewable and sustainable, and have the potential to replace fossil feedstocks. Biorefinery, a process to fractionate lignocellulose into the three major components, is considered the most pivotal step for bioenergy, biomaterials and biochemicals. However, due to the complex hierarchy and chemical structures, only limited lignocellulose is valorized into value-added products, and most of them are burnt or just discarded. Therefore, there is a need to investigate the heterogeneous structure of lignocellulose, improve its efficient fractionation into cellulose, hemicelluloses and lignin, and develop the technology that can convert the lignocellulose into high-value chemical products and high-performance functional materials in a sustainable and promising configuration. In short, the ultimate goal of biomass utilization is that the production of biofuels and biomaterials in industrial applications must be cost-, and performance-competitive with petroleum-derived equivalents.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Pulsed Plasma Thrusters for Small Spacecraft Attitude Control

Pulsed plasma thrusters (PPT's) are a new option for attitude control of a small spacecraft and may result in reduced attitude control system (ACS) mass and cost. The primary purpose of an ACS is to orient the spacecraft configuration to the desired accuracy in inertial space. The ACS functions for which the PPT system will be analyzed include disturbance torque compensation and slewing maneuvers such as sun acquisition for which the small impulse bit and high specific impulse of the PPT offers unique advantages. The NASA Lewis Reserach Center (LeRC) currently has a contracted flight PPT system development program in place with Olin Aerospace and a delivery date of October 1997. The PPT system in this study are based upon the work being done under the NASA LeRC program. Analysis of the use of PPT's for ACS showed that the replacement of the standard momentum wheels and torque rods systems with a PTT system to perform the altitude control maneuvers on a small low Earth orbiting spacecraft reduced the ACS mass by 50 to 75 percent with no increase in required power level over comparable wheel-based systems.

McGuire, Melissa L.↗

Sequence and Genetic Characterization of etrA, an fnr Analog that Regulates Anaerobic Respiration in Shewanella putrefaciens MR-1

An electron transport regulatory gene, etrA, has been isolated and characterized from the obligate respiratory bacterium Shewanella putrefaciens MR-l. The deduced amino acid sequence of etrA (EtrA) shows a high degree of identity to both the Fnr of Escherichia coli (73.6%) and the analogous protein (ANR) of Pseudomonas aeruginosa (50.8%). The four active cysteine residues of Fnr are conserved in EtrA, and the amino acid sequence of the DNA-binding domains of the two proteins are identical. Further, S.putrefaciens etrA is able to complement an fnr mutant of E.coli. In contrast to fnr, there is no recognizable Fnr box upstream of the etrA sequence. Gene replacement etr.A mutants of MR-1 were deficient in growth on nitrite, thiosulfate, sulfite, trimethylamine-N-oxide, dimethyl sulfoxide, Fe(III), and fumarate, suggesting that EtrA is involved in the regulation of the corresponding reductase genes. However, the mutants were all positive for reduction of and growth on nitrate and Mn(IV), indicating that EtrA is not involved in the regulation of these two systems. Southern blots of S.putrefaciens DNA with use of etrA as a probe revealed the expected etrA bands and a second set of hybridization signals whose genetic and functional properties remain to be determined.

Saffarini, Daad A.↗

Critical Questions for Space Human Factors

Traditional human factors contributions to NASA's crewed space programs have been rooted in the classic approaches to quantifying human physical and cognitive capabilities and limitations in the environment of interest, and producing recommendations and standards for the selection or design of mission equipment. Crews then evaluate the interfaces, displays, or equipment, and with the assistance of human factors experts, improvements are made as funds, time, control documentation, and weight allow. We have come a long way from the early spaceflight days, where men with the ' right stuff were the solution to operating whatever equipment was given to them. The large and diverse Shuttle astronaut corps has impacted mission designs to accommodate a wide range of human capabilities and preferences. Yet with existing long duration experience, we have seen the need to address a different set of dynamics when designing for optimal crew performance: critical equipment and mission situations degrade, and human function changes with mission environment, situation, and duration. Strategies for quantifying the critical nature of human factors requirements are being worked by NASA. Any exploration-class mission will place new responsibilities on mission designers to provide the crew with the information and resources to accomplish the mission. The current duties of a Mission Control Center to monitor system status, detect degradation or malfunction, and provide a proven solution, will need to be incorporated into on-board systems to allow the crew autonomous decision-making. The current option to resupply and replace mission systems and resources, including both vehicle equipment and human operators, will be removed, so considerations of maintenance, onboard training, and proficiency assessment are critical to providing a self-sufficient crew. As we 'move in' to the International Space Station, there are tremendous opportunities to investigate our ability to design for autonomous crews. Yet prioritizing the research that can and should be done by NASA will be based on the critical nature of the issues, and the impact of the individual research questions on mission design. The risks to crew health and safety associated with answering critical human factors issues must be properly included and communicated in order to support the Agency's decisions regarding future space programs.

Woolford, Barbara↗

Life Cycle Cost Analysis of Prestressed Concrete Poles Subjected to Wind, Surges, and Waves

Prestressed concrete (PC) poles are becoming popular choices to support coastal power transmission systems. However, the existing literature does not offer a detailed analysis of the effectiveness of PC poles in terms of long-term vulnerabilities and the direct and indirect costs. This is due to (1) lack of fragility models for PC poles and (2) lack of probabilistic wind, storm surge, and wave models in coastal settings. In this study, we address these gaps through a series of Monte Carlo simulations to estimate fragility of PC poles as a function of age and hazard (wind, surges, and waves) intensity, and the development of a probabilistic hazard model based on 10,000 years of synthetic tropical cyclone data. The probabilistic hazard model is used in conjunction with high-resolution hydrodynamic models to generate realizations of coastal wind, storm surges, and waves for the Louisiana and Mississippi coasts. A comprehensive life cycle cost analysis for a service life of 70 years considering direct and indirect losses is conducted to compare the performance of a transmission line located in Pascagoula, Mississippi, when wood poles are replaced by PC poles. Results showed that aging has a minor effect on the reliability of PC poles, highlighting the advantages of replacing wood poles with PC poles, especially in coastal areas. In addition, PC poles are significantly more cost-effective compared with wood poles over their life cycle, leading to an estimated saving of $11.55 million (68.17% reduction). The results of this study provide key insight to inform decision-making processes to keep the coastal power grids resilient and cost-effective against future storm hazards.

natural disasters↗