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NASA NTRS2011

Improved Systematic Pointing Error Model for the DSN Antennas

New pointing models have been developed for large reflector antennas whose construction is founded on elevation over azimuth mount. At JPL, the new models were applied to the Deep Space Network (DSN) 34-meter antenna s subnet for corrections of their systematic pointing errors; it achieved significant improvement in performance at Ka-band (32-GHz) and X-band (8.4-GHz). The new models provide pointing improvements relative to the traditional models by a factor of two to three, which translate to approximately 3-dB performance improvement at Ka-band. For radio science experiments where blind pointing performance is critical, the new innovation provides a new enabling technology. The model extends the traditional physical models with higher-order mathematical terms, thereby increasing the resolution of the model for a better fit to the underlying systematic imperfections that are the cause of antenna pointing errors. The philosophy of the traditional model was that all mathematical terms in the model must be traced to a physical phenomenon causing antenna pointing errors. The traditional physical terms are: antenna axis tilts, gravitational flexure, azimuth collimation, azimuth encoder fixed offset, azimuth and elevation skew, elevation encoder fixed offset, residual refraction, azimuth encoder scale error, and antenna pointing de-rotation terms for beam waveguide (BWG) antennas. Besides the addition of spherical harmonics terms, the new models differ from the traditional ones in that the coefficients for the cross-elevation and elevation corrections are completely independent and may be different, while in the traditional model, some of the terms are identical. In addition, the new software allows for all-sky or mission-specific model development, and can utilize the previously used model as an a priori estimate for the development of the updated models.

Rochblatt, David J.↗
NASA NTRS2004

Stardust Dynamic Science at Wild 2: First Look

The Dynamic Science investigation on the STARDUST mission has been described previously. The data delivered by the STARDUST Project is multifold, but basically it consists of radio Doppler data from the Deep Space Network (DSN) and attitude control data (ACS) from the spacecraft. Doppler data were successfully recorded by JPL's Navigation System (closed-loop data) and also by its Radio Science System (open-loop data) at DSN stations DSS43 near Canberra Australia and at DSS14 at Goldstone California. Attitude control data were also successfully delivered to the Dynamic Science Team. Here we describe a preliminary analysis of the data. Beyond a closest approach distance of 150 km, a Doppler detection of a the Wild 2 nucleus mass was not expected. The current best estimate of the closest approach distance is 236.4 km, and as expected, any mass signal in the Doppler data is hopelessly buried in the noise. We have attempted to fit the data to a mass model with no success. However, analysis of the Doppler data and the ACS data for particle impacts on the spacecraft's Whipple shields is in progress, and will be reported at the meeting. The DSS43 closed-loop Doppler residuals are plotted as a function of time from the current best estimate of the time of Wild 2 closest approach, 2 January 2004, 19:43:11.7 UTC, Earth-receive time at the station.

Anderson, J. D.↗
NASA NTRS2005

X-Aerogels for Structural Components and High Temperature Applications

Future NASA missions and space explorations rely on the use of materials that are strong ultra lightweight and able to withstand extreme temperatures. Aerogels are low density (0.01-0.5 g/cu cm) high porosity materials that contain a glass like structure formed through standard sol-gel chemistry. As a result of these structural properties, aerogels are excellent thermal insulators and are able to withstand temperatures in excess of l,000 C. The open structure of aerogels, however, renders these materials extremely fragile (fracturing at stress forces less than 0.5 N/sq cm). The goal of NASA Glenn Research Center is to increase the strength of these materials by templating polymers and metals onto the surface of an aerogel network facilitating the use of this material for practical applications such as structural components of space vehicles used in exploration. The work this past year focused on two areas; (1) the research and development of new templated aerogels materials and (2) process development for future manufacturing of structural components. Research and development occurred on the production and characterization of new templating materials onto the standard silica aerogel. Materials examined included polymers such as polyimides, fluorinated isocyanates and epoxies, and, metals such as silver, gold and platinum. The final properties indicated that the density of the material formed using an isocyanate is around 0.50 g/cc with a strength greater than that of steel and has low thermal conductivity. The process used to construct these materials is extremely time consuming and labor intensive. One aspect of the project involved investigating the feasibility of shortening the process time by preparing the aerogels in the templating solvent. Traditionally the polymerization used THF as the solvent and after several washes to remove any residual monomers and water, the solvent around the aerogels was changed to acetonitrile for the templating step. This process took a couple of days. It was experimentally determined that the polymerization reaction could be done in acetonitrile instead of THF with no detrimental effects to the properties of the resulting aerogel. Other changes in the time needed to crosslink the gels in the isocyanate solution as well as changes to the subsequent washing procedure could also shorten the processing time with no effect on the properties. Processing methods were also developed that allowed a variety of shapes as well as sizes of these materials to be formed.

Source record↗
NASA NTRS2006

Considerations for Isochronous Data Services over the Proximity-1 Space Link

Future mission concepts for robotic and human explorations will involve a high level of real time control/monitoring operations such as tele-operation for spacecraft rendezvous and surface mobile platforms carrying life-support equipments. The timely dissemination of voice, command, and real-time telemetry for monitoring and coordination purposes is critical for mission success. It is envisioned that future missions will require a network infrastructure capable of supporting isochronous data services. The CCSDS Proximity-1 Space Link Protocol1 could be used to carry isochronous traffic. This paper we will focus on the data link layer portion of the Proximity-1 protocol specification and analyze its jitter and performance for supporting isochronous applications. In particular we will focus on constrained scenarios where the protocol operates in full-duplex mode, carrying isochronous traffic in one direction and error-controlled traffic in the other direction. We analyze the impact of the strict priority scheme in Proximity-1 used to arbitrate channel access on the latency jitter of the isochronous traffic and the efficiency of the reliable data transfer. In general, jitter performance is driven by the loading of the acknowledgement traffic on the forward link. Under light loading condition, the upper-bound of the delay jitter is the transmission duration of an acknowledgement frame on the forward link; for higher loading scenarios, the maximum jitter is scaled up by the inverse of the residual bandwidth, i.e., the spare capacity available in the forward link after accounting for the acknowledgement traffic. We derive analytical expression on the maximum jitter and discuss its performance.

space link↗
NASA NTRS2023

DPOD2020: A DORIS Extension of the ITRF2020 for Precise Orbit Determination

As one of the tracking systems used to determine orbits of the altimeter mission satellites (such as TOPEX/Poseidon, Envisat, Jason-1/-2/-3, CryoSat-2, Saral/Altika, Sentinel-3A/-3B, HY-2A/C/D, Jason-CS/Sentinel-6A, SWOT), DORIS (Doppler Orbitography Radiopositionning Integrated by Satellite) allows to determine positions and velocities of tracking stations that define a stable reference for the estimation of the precise orbits and thus are fundamental for the quality of the altimeter data and derived mean sea level products. Due to the time evolution of the DORIS ground network, some stations included in the 2020 realization of the International Terrestrial Reference Frame (ITRF2020) have been decommissioned and since 2021.0 a few new stations were added to the tracking network. Therefore, to satisfy operational requirements for POD (Precise Orbit Determination) and routine delivery of geodetic products, the International DORIS Service (IDS) regularly updates the DPOD (DORIS terrestrial reference frame for Precise Orbit Determination). The DPOD solutions include mean positions and velocities of all the DORIS stations since 1993.0 derived from the stacking of the latest IDS weekly combined series aligned to the current ITRF. In this paper, we first present the stacking process of the DPOD2020 version 1.0. Then, we address the validation procedure of the DPO2020 including comparison with ITRF2020 and POD tests. For eighty percent of all the time segments of all the DORIS stations, the station position differences between DPOD2020 version 1.0 and ITRF2020 are smaller than ten millimeters. The major position differences between these two solutions are associated with the DORIS sites either localized in the South Atlantic Anomaly region or with time spans smaller than one year. Compared to DPOD2014, the DPOD2020 shows reduction of the main statistics of the DORIS-to-DORIS tie residuals (differences between the estimated and measured ties). The POD tests showed similar results for DPOD2020 and DPOD2014 for most of the altimetric satellites (TOPEX/Poseidon, Jason-1, CryoSat-2, Jason-3). In addition, we observed better POD results with DPOD2020 for the latest altimetric satellite Sentinel-3A as well as a slight degradation for Jason-2. That degradation was fully explained by slightly worst results for the stations localized in the South Atlantic Anomaly region.

DORIS↗
NASA NTRS2015

An Empirical State Error Covariance Matrix Orbit Determination Example

State estimation techniques serve effectively to provide mean state estimates. However, the state error covariance matrices provided as part of these techniques suffer from some degree of lack of confidence in their ability to adequately describe the uncertainty in the estimated states. A specific problem with the traditional form of state error covariance matrices is that they represent only a mapping of the assumed observation error characteristics into the state space. Any errors that arise from other sources (environment modeling, precision, etc.) are not directly represented in a traditional, theoretical state error covariance matrix. First, consider that an actual observation contains only measurement error and that an estimated observation contains all other errors, known and unknown. Then it follows that a measurement residual (the difference between expected and observed measurements) contains all errors for that measurement. Therefore, a direct and appropriate inclusion of the actual measurement residuals in the state error covariance matrix of the estimate will result in an empirical state error covariance matrix. This empirical state error covariance matrix will fully include all of the errors in the state estimate. The empirical error covariance matrix is determined from a literal reinterpretation of the equations involved in the weighted least squares estimation algorithm. It is a formally correct, empirical state error covariance matrix obtained through use of the average form of the weighted measurement residual variance performance index rather than the usual total weighted residual form. Based on its formulation, this matrix will contain the total uncertainty in the state estimate, regardless as to the source of the uncertainty and whether the source is anticipated or not. It is expected that the empirical error covariance matrix will give a better, statistical representation of the state error in poorly modeled systems or when sensor performance is suspect. In its most straight forward form, the technique only requires supplemental calculations to be added to existing batch estimation algorithms. In the current problem being studied a truth model making use of gravity with spherical, J2 and J4 terms plus a standard exponential type atmosphere with simple diurnal and random walk components is used. The ability of the empirical state error covariance matrix to account for errors is investigated under four scenarios during orbit estimation. These scenarios are: exact modeling under known measurement errors, exact modeling under corrupted measurement errors, inexact modeling under known measurement errors, and inexact modeling under corrupted measurement errors. For this problem a simple analog of a distributed space surveillance network is used. The sensors in this network make only range measurements and with simple normally distributed measurement errors. The sensors are assumed to have full horizon to horizon viewing at any azimuth. For definiteness, an orbit at the approximate altitude and inclination of the International Space Station is used for the study. The comparison analyses of the data involve only total vectors. No investigation of specific orbital elements is undertaken. The total vector analyses will look at the chisquare values of the error in the difference between the estimated state and the true modeled state using both the empirical and theoretical error covariance matrices for each of scenario.

Frisbee, Joseph H., Jr.↗
DOE OSTI2021

Hydrodynamics of nonintegrable systems from a relaxation-time approximation

We develop a general kinetic theory framework to describe the hydrodynamics of strongly interacting, nonequilibrium quantum systems in which integrability is weakly broken, leaving a few residual conserved quantities. This framework is based on a generalized relaxation-time approximation; it gives a simple, but surprisingly accurate, prescription for computing nonequilibrium transport even in strongly interacting systems. We validate the predictions of this approximation against matrix product operator calculations on chaotic quantum spin chains, finding surprisingly good agreement. Lastly, we show that despite its simplicity, our framework can capture phenomena distinctive to strongly interacting systems, such as widely separated charge and energy diffusion constants.

1-dimensional spin chains↗
DOE OSTI2021

Heat transport in liquid water from first-principles and deep neural network simulations

In this work, we compute the thermal conductivity of water within linear response theory from equilibrium molecular dynamics simulations, by adopting two different approaches. In one, the potential energy surface (PES) is derived on the fly from the electronic ground state of density functional theory (DFT) and the corresponding analytical expression is used for the energy flux. In the other, the PES is represented by a deep neural network (DNN) trained on DFT data, whereby the PES has an explicit local decomposition and the energy flux takes a particularly simple expression. By virtue of a gauge invariance principle, established by Marcolongo, Umari, and Baroni, the two approaches should be equivalent if the PES were reproduced accurately by the DNN model. We test this hypothesis by calculating the thermal conductivity, at the GGA (PBE) level of theory, using the direct formulation and its DNN proxy, finding that both approaches yield the same conductivity, in excess of the experimental value by approximately 60%. Besides being numerically much more efficient than its direct DFT counterpart, the DNN scheme has the advantage of being easily applicable to more sophisticated DFT approximations, such as meta-GGA and hybrid functionals, for which it would be hard to derive analytically the expression of the energy flux. We find in this way that a DNN model, trained on meta-GGA (SCAN) data, reduces the deviation from experiment of the predicted thermal conductivity by about 50%, leaving the question open as to whether the residual error is due to deficiencies of the functional, to a neglect of nuclear quantum effects in the atomic dynamics, or, likely, to a combination of the two.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS2019

Aqueous Alteration on Mars

The occurrence of extensive valley networks and layered deposits of phyllosilicates and sulfates during the late Noachian/Hesperian periods (approx. 3-4 Gyrs) indicates a past martian climate that was capable of maintaining liquid water at the surface. The planet’s climate drastically changed after these early “episodes” of water to a drier and colder environment during the Amazonian period (past 3.0 Gyrs). The objective of this paper is to describe aqueous alteration/weathering scenarios on Mars based on observations returned by rover and lander missions. The chemistry of most outcrops, rocks, and “soils” that have interacted with water has not been extensively changed from average Mars crustal basaltic composition. Little chemical variation suggests closed hydrologic systems were prominent on early Mars and/or the water/rock ratios were low. Open hydrologic systems occur at local scales, e.g., high Si and Ti rocks and “soil” deposits around a volcanic feature in Gusev crater. Geochemical and mineralogical indicators for aqueous alteration include jarosite and other Fe-sulfates at several locations suggesting acid-sulfate alteration conditions. High Si and Ti rocks, sediments, and “soil” deposits are consistent with basaltic residues extenively leached by extremely acidic fluids. Variations in the Fe/Mn ratio of fracture veins infilled with sulfate-rich materials suggest changes in redox and/or pH conditions of the migrating fluids. The increase of nanophase iron oxides and salts with depth in several “soil” pits escavated by the Spirit rover’s wheel in Gusev crater suggests the translocation/mobolization of these phases by liquid water. This “pedogenic” process is the result of limited water movement through the surface sediments during the Amazonian period; however, it is likely that paleosols exist on Mars that formed during the early “wetter” history of the planet. Soil scientists have the opportunity to continue to (and should) be involved in the exploration of the Red planet.

Ming, Douglas W.↗
NASA NTRS2000

SHADOZ (Southern Hemisphere ADditional OZonesondes): An Ozonesonde Network for Satellite Validation, Climatology and Modeling

In the past 5 years, new tropical ozone data products have been developed from TOMS and other satellites, During this period, global chemical-transport models have been used for ozone assessment studies. However, there has been a lack of independent ozone profiles in the tropics for evaluation of the data sets and models. In 1998, NASA's Goddard Space Flight Center, Wallops Flight Facility and NOAA's CMDL (Climate Monitoring and Diagnostics Lab), began a 2-year project to collect a consistent data set by augmenting ozonesonde launches at southern hemisphere tropical sites The measurements are available to the scientific community at a single electronic location - the SHADOZ website at NASA/Goddard: http://code9l6.gsfc.nasa.gov/Data services/Shadoz/shadoz hmpg2.html. Stations in SHADOZ include four islands in the Pacific: Fiji, Tahiti, San Cristobal (Galapagos) and American Samoa. Two sites are at and in the Atlantic: Natal (Brazil) and Ascension Island. Three other sites span Africa (Nairobi and Irene, South Africa) and the Indian Ocean (Reunion Island and Watukosek in Java, Indonesia). All SHADOZ sites are using ECC-type sondes, with the conversion from JMD sondes at Java in 1999, but there are variations in sonde preparation technique and data processing. During the 1998-1999 period, more than 550 sondes were incorporated into the SHADOZ data base. Examples from these measurements illustrate the tropical wave-one pattern in total ozone which is easily detectable by satellite. They also show that the wave-one pattern appears to be in the troposphere, as assumed in creating the modified-residual tropospheric ozone data product from TOMS. SHADOZ will add data from intensive field campaigns from time to time. Recent contributions to the SHADOZ archive are from the INDOEX (Indian Ocean Experiment January-March 1999)sondes at the Maldives (5N, 73E) and 27 sondes on the US NOAA oceanographic vessel, the FIN Ronald H Brown between Virginia (US) and Mauritius via CapeTown, during a cruise in January and February 1999. In 2000, as part of the SAFARI-2000 experiment and a validation project called Southern African Validation for EOS (SAVE), enhancement of ozonesonde launches at Irene (South Africa) will extend the data set from this site beyond the 1998-1999 period.

Thompson, Anne M.↗
NASA NTRS2012

Feedback Augmented Sub-Ranging (FASR) Quantizer

This innovation is intended to reduce the size, power, and complexity of pipeline analog-to-digital converters (ADCs) that require high resolution and speed along with low power. Digitizers are important components in any application where analog signals (such as light, sound, temperature, etc.) need to be digitally processed. The innovation implements amplification of a sampled residual voltage in a switched capacitor amplifier stage that does not depend on charge redistribution. The result is less sensitive to capacitor mismatches that cause gain errors, which are the main limitation of such amplifiers in pipeline ADCs. The residual errors due to mismatch are reduced by at least a factor of 16, which is equivalent to at least 4 bits of improvement. The settling time is also faster because of a higher feedback factor. In traditional switched capacitor residue amplifiers, closed-loop amplification of a sampled and held residue signal is achieved by redistributing sampled charge onto a feedback capacitor around a high-gain transconductance amplifier. The residual charge that was sampled during the acquisition or sampling phase is stored on two or more capacitors, often equal in value or integral multiples of each other. During the hold or amplification phase, all of the charge is redistributed onto one capacitor in the feedback loop of the amplifier to produce an amplified voltage. The key error source is the non-ideal ratios of feedback and input capacitors caused by manufacturing tolerances, called mismatches. The mismatches cause non-ideal closed-loop gain, leading to higher differential non-linearity. Traditional solutions to the mismatch errors are to use larger capacitor values (than dictated by thermal noise requirements) and/or complex calibration schemes, both of which increase the die size and power dissipation. The key features of this innovation are (1) the elimination of the need for charge redistribution to achieve an accurate closed-loop gain of two, (2) a higher feedback factor in the amplifier stage giving a higher closed-loop bandwidth compared to the prior art, and (3) reduced requirement for calibration. The accuracy of the new amplifier is mainly limited by the sampling networks parasitic capacitances, which should be minimized in relation to the sampling capacitors.

Guilligan, Gerard↗
NASA NTRS1984

Properties of simulated comet mantle

The properties of freeze-dried dilute dispersions of dust in water ice are of considerable interest in studies of comet nucleus mantles. The formation of a rind residue produced by the sublimation of water ice containing various amounts of fine clay particles may be an important process. A simulation of the development of the dry dust rind on the surface of comets is presented. This rind is the result of preferential ice sublimation. The development and disruption of this rind and its subsequent levitation by water vapor flow is studied. The most interesting rind simulant is produced by dispersing 0.1 micron particles of montmorillonite in water in concentrations of 10%, 1%, and 0.1%. These dispersions are then sprayed into liquid nitrogen in the form of 100 micron droplets. The frozen droplets are then freeze-dried in a vacuum which prevents the ice temperature from rising above -30 C. Sublimation of the nitrogen and the water produced dry rinds. The most striking result was the development of large cohesive matrices of individual clay particles, and in some cases a continuous cohesive crust. Scanning electron microscope (SEM) observations reveal that the material formed by freeze-drying the 0.1% dispersion does not retain the original spherical shape of the sprayed 100 micron droplets; instead it consists of a continuous filamentary network, as shown in the SEM stereo micrographs.

Fanale, F. P.↗
NASA NTRS2006

Considerations for Isochronous Data Services over the Proximity-1 Space Link

Future mission concepts for robotic and human explorations will involve a high level of real time control/monitoring operations such as tele-operation for spacecraft rendezvous and surface mobile platforms carrying life-support equipments. The timely dissemination of voice, command, and real-time telemetry for monitoring and coordination purposes is critical for mission success. It is envisioned that future missions will require a network infrastructure capable of supporting isochronous data services. The CCSDS Proximity-1 Space Link Protocol1 could be used to provide isochronous service over the surface-to-Earth relay as well as "beyond-the-horizon" communications between distant Lunar or Mars surface elements. This paper will analyze the latency, jitter, and throughput performance of the Proximity-1 protocol for isochronous applications. In particular we will focus on constrained scenarios where the protocol operates in full-duplex mode, carrying isochronous traffic in one direction and error-controlled traffic in the other direction. We analyze the impact of the strict priority scheme in Proximity-1 on delay jitter and the impact of the isochronous traffic on the efficiency of the reliable data transfer in the other direction, and discuss methods for performance optimization. In general, jitter performance is driving by relative loading of isochronous traffic on the forward link compared to the acknowledgement traffic. Under light loading condition, the upper-bound of the delay jitter is the transmission duration of an acknowledgement frame on the forward link; for higher loading scenarios, the maximum jitter is scaled up by the inverse of the residual bandwidth, i.e., the spare capacity available in the forward link to carry isochronous traffic.

isochronous communications↗
NASA NTRS1994

Providing hydrogen maser timing stability to orbiting VLBI radio telescope observations by post-measurement compensation of linked frequency standard imperfections

Orbiting VLBI (OVLBI) astronomical observations are based upon measurements acquired simultaneously from ground-based and earth-orbiting radio telescopes. By the mid-1990s, two orbiting VLBI observatories, Russia's Radioastron and Japan's VSOP, will augment the worldwide VLBI network, providing baselines to earth radio telescopes as large as 80,000 km. The challenge for OVLBI is to effectuate space to ground radio telescope data cross-correlation (the observation) to a level of integrity currently achieved between ground radio telescopes. VLBI radio telescopes require ultrastable frequency and timing references in order that long term observations may be made without serious cross-correlation loss due to frequency source drift and phase noise. For this reason, such instruments make use of hydrogen maser frequency standards. Unfortunately, space-qualified hydrogen maser oscillators are currently not available for use on OVLBI satellites. Thus, the necessary long-term stability needed by the orbiting radio telescope may only be obtained by microwave uplinking a ground-based hydrogen maser derived frequency to the satellite. Although the idea of uplinking the frequency standard intrinsically seems simple, there are many 'contaminations' which degrade both the long and short term stability of the transmitted reference. Factors which corrupt frequency and timing accuracy include additive radio and electronic circuit thermal noise, slow or systematic phase migration due to changes of electronic circuit temporal operating conditions (especially temperature), ionosphere and troposphere induced scintillations, residual Doppler-incited components, and microwave signal multipath propagation. What is important, though, is to realize that ultimate stability does not have to be achieved in real-time. Instead, information needed to produce a high degree of coherence in the subsequent cross-correlation operation may be derived from a two-way coherent radio link, recorded and later introduced as compensations adjunct to the VLBI correlation process. Accordingly, this paper examines the technique for stable frequency/time transfer within the OVLBI system, together with a critique of the types of link degradation components which must be compensated, and the figures of merit known as coherence factors.

Springett, James C.↗
DOE OSTI2026

A Nonergodic Ground-Motion Model for the San Francisco Bay Area for Small-Magnitude Earthquakes

ABSTRACT Recently, generative models have become a computationally efficient alternative to physics-based numerical simulations of ground motions. Neural networks can learn from existing ground-motion data to generate unobserved ground-motion data at new source and site locations. A key challenge with generative models is ensuring that predicted ground motions remain within a physically realistic range. For this purpose, we developed an empirical, nonergodic ground-motion model (GMM) for small-magnitude earthquakes in the San Francisco Bay area based on about 5000 recordings per component for Mw ≤ 4 earthquakes. The nonergodic GMM predicts spatially varying median source, site, and path effects for both the Fourier amplitude spectrum (FAS) and the Fourier phase derivative (a proxy for duration), as well as the corresponding epistemic uncertainty for each term. For FAS, our model shows above-average source and site effects in the western part of the region and below-average effects in the eastern part, with regional effects exhibiting larger spatial correlation lengths with increasing frequency. For duration, the source term is negligible for small-magnitude earthquakes, and the site term leads to site-specific variations up to 5 s. Path effects for FAS and duration depend on the source–site pair and are extrapolated spatially using recent methods for path-effect modeling. The aleatory variability of the within-site within-path residuals is similar to the variability found in previous studies for other regions. The nonergodic model provides two key contributions: first, median adjustment terms that are transferable to larger magnitude earthquakes, further reducing aleatory variability in probabilistic seismic hazard analysis; second, region-specific criteria for validating machine learning-based ground-motion generators to evaluate whether synthetic ground motions exhibit physically realistic source, site, and path effects.

Lacour, Maxime↗
DOE OSTI2022

Heterosynaptic plasticity in biomembrane memristors controlled by pH

Abstract In biology, heterosynaptic plasticity maintains homeostasis in synaptic inputs during associative learning and memory, and initiates long-term changes in synaptic strengths that nonspecifically modulate different synapse types. In bioinspired neuromorphic circuits, heterosynaptic plasticity may be used to extend the functionality of two-terminal, biomimetic memristors. In this article, we explore how changes in the pH of droplet interface bilayer aqueous solutions modulate the memristive responses of a lipid bilayer membrane in the pH range 4.97–7.40. Surprisingly, we did not find conclusive evidence for pH-dependent shifts in the voltage thresholds ( V* ) needed for alamethicin ion channel formation in the membrane. However, we did observe a clear modulation in the dynamics of pore formation with pH in time-dependent, pulsed voltage experiments. Moreover, at the same voltage, lowering the pH resulted in higher steady-state currents because of increased numbers of conductive peptide ion channels in the membrane. This was due to increased partitioning of alamethicin monomers into the membrane at pH 4.97, which is below the pKa (~5.3–5.7) of carboxylate groups on the glutamate residues of the peptide, making the monomers more hydrophobic. Neutralization of the negative charges on these residues, under acidic conditions, increased the concentration of peptide monomers in the membrane, shifting the equilibrium concentrations of peptide aggregate assemblies in the membrane to favor greater numbers of larger, increasingly more conductive pores. It also increased the relaxation time constants for pore formation and decay, and enhanced short-term facilitation and depression of the switching characteristics of the device. Modulating these thresholds globally and independently of alamethicin concentration and applied voltage will enable the assembly of neuromorphic computational circuitry with enhanced functionality. Impact statement We describe how to use pH as a modulatory “interneuron” that changes the voltage-dependent memristance of alamethicin ion channels in lipid bilayers by changing the structure and dynamical properties of the bilayer. Having the ability to independently control the threshold levels for pore conduction from voltage or ion channel concentration enables additional levels of programmability in a neuromorphic system. In this article, we note that barriers to conduction from membrane-bound ion channels can be lowered by reducing solution pH, resulting in higher currents, and enhanced short-term learning behavior in the form of paired-pulse facilitation. Tuning threshold values with environmental variables, such as pH, provide additional training and learning algorithms that can be used to elicit complex functionality within spiking neural networks. Graphical abstract

36 MATERIALS SCIENCE↗
DOE OSTI2021

Automatic Differentiation in MetaPhysicL and Its Applications in MOOSE

Efficient solution via Newton’s method of nonlinear systems of equations requires an accurate representation of the Jacobian, corresponding to the derivatives of the component residual equations with respect to the degrees of freedom. In practice these systems of equations often arise from spatial discretization of partial differential equations used to model physical phenomena. These equations may involve domain motion or material equations that are complex functions of the systems’ degrees of freedom. Computing the Jacobian by hand in these situations is arduous and prone to error. Finite difference approximations of the Jacobian or its action are prone to truncation error, especially in multiphysics settings. Symbolic differentiation packages may be used, but often result in an excessive number of terms in realistic model scenarios. An alternative to symbolic and numerical differentiation is automatic differentiation (AD), which propagates derivatives with every elementary operation of a computer program, corresponding to continual application of the chain rule. Automatic differentiation offers the guarantee of an exact Jacobian at a relatively small overhead cost. In this work, we outline the adoption of AD in the Multiphysics Object Oriented Simulation Environment (MOOSE) via the MetaPhysicL package. We describe the application of MOOSE’s AD capability to several sets of physics that were previously infeasible to model via hand-coded or Jacobian-free simulation techniques, including arbitrary Lagrangian-Eulerian and level-set simulations of laser melt pools, phase-field simulations with free energies provided through neural networks, and metallic nuclear fuel simulations that require inner Newton loop calculation of nonlinear material properties.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2022

Using soil library hyperspectral reflectance and machine learning to predict soil organic carbon: Assessing potential of airborne and spaceborne optical soil sensing

Soil organic carbon (SOC) is a key variable to determine soil functioning, ecosystem services, and global carbon cycles. Spectroscopy, particularly optical hyperspectral reflectance coupled with machine learning, can provide rapid, efficient, and cost-effective quantification of SOC. However, how to exploit soil hyperspectral reflectance to predict SOC concentration, and the potential performance of airborne and satellite data for predicting surface SOC at large scales remain relatively underknown. Here, this study utilized a continental-scale soil laboratory spectral library (37,540 full-pedon 350–2500 nm reflectance spectra with SOC concentration of 0–780 g·kg –1 across the US) to thoroughly evaluate seven machine learning algorithms including Partial-Least Squares Regression (PLSR), Random Forest (RF), K-Nearest Neighbors (KNN), Ridge, Artificial Neural Networks (ANN), Convolutional Neural Networks (CNN), and Long Short-Term Memory (LSTM) along with four preprocessed spectra, i.e. original, vector normalization, continuum removal, and first-order derivative, to quantify SOC concentration. Furthermore, by using the coupled soil-vegetation-atmosphere radiative transfer model, we simulated twelve airborne and spaceborne hyper/multi-spectral remote sensing data from surface bare soil laboratory spectra to evaluate their potential for estimating SOC concentration of surface bare soils. Results show that LSTM achieved best predictive performance of quantifying SOC concentration for the whole data sets (R 2 = 0.96, RMSE = 30.81 g·kg –1 ), mineral soils (SOC ≤ 120 g·kg –1 , R 2 = 0.71, RMSE = 10.60 g·kg –1 ), and organic soils (SOC > 120 g·kg –1 , R 2 = 0.78, RMSE = 62.31 g·kg –1 ). Spectral data preprocessing, particularly the first-order derivative, improved the performance of PLSR, RF, Ridge, KNN, and ANN, but not LSTM or CNN. We found that the SOC models of mineral and organic soils should be distinguished given their distinct spectral signatures. Finally, we identified that the shortwave infrared is vital for airborne and spaceborne hyperspectral sensors to monitor surface SOC. This study highlights the high accuracy of LSTM with hyperspectral/multispectral data to mitigate a certain level of noise (soil moisture <0.4 m 3 ·m –3 , green leaf area < 0.3 m 2 ·m –2 , plant residue <0.4 m 2 ·m –2 ) for quantifying surface SOC concentration. Forthcoming satellite hyperspectral missions like Surface Biology and Geology (SBG) have a high potential for future global soil carbon monitoring, while high-resolution satellite multispectral fusion data can be an alternative.

54 ENVIRONMENTAL SCIENCES↗