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At least 361 records · Page 20

Representing Soil Microbial Dynamics and Organo‐Mineral Interactions in the E3SM Land Model (ELM‐ReSOM)

Explicit representation of soil microbial processes and interactions with biotic and abiotic processes in Earth System Models (ESMs) remains limited, despite their importance in biogeochemical cycles. To address this gap, which hinders prediction of global biogeochemial cycling and responses to atmospheric conditions, we integrated a microbe- and mineral-surface-explicit model, the Reaction-network-based model of soil organic matter and Microbes (ReSOM), into the Energy Exascale ESM (E3SM) land model (ELM). Here, we describe ELM-ReSOM and show a case study at a conifer forest in California. ELM-ReSOM accurately simulated surface CO 2 fluxes and SOM stocks, demonstrating improved representations of microbial and mineral interactions compared to the default ELM. We examined ELM-ReSOM sensitivity to microbial traits, enzyme properties, and organo-mineral interactions. Microbial traits such as the maximum mortality rate, transporter-density scaling factor, and maximum monomer assimilation rate were strong controllers of heterotrophic respiration, while these microbial traits and enzyme-related properties collectively influenced SOM stocks. Mineral surfaces primarily affected SOM stocks by adsorbing enzymes, thereby limiting depolymerization. Synergies among processes led to stronger impacts of parameters when evaluated together versus separately (i.e., most parameters had greater indirect than direct effects). For example, due to interactions of microbial necromass with mineral surface adsorption, the indirect effect of the maximum microbial mortality rate was 33% larger than its direct effect on SOM stock. Thus, microbial and enzyme dynamics and their interactions with mineral surfaces play critical roles in SOM cycling. Tackling the challenges of microbe-explicit models will advance understanding and modeling of SOM dynamics.

Tao, Jing [Lawrence Berkeley National Laboratory (↗

Data and Code for Understanding Generative AI Content with Embedding Models

This repository contains code for the experiments in the paper "Understanding Generative AI Content with Embedding Models". Constructing high-quality features is critical to any quantitative data analysis. While feature engineering was historically addressed by carefully hand-crafting data representations based on domain expertise, deep neural networks (DNNs) now offer a radically different approach. DNNs implicitly engineer features by transforming their input data into hidden feature vectors called embeddings. For embedding vectors produced by foundation models -- which are trained to be useful across many contexts -- we demonstrate that simple and well-studied dimensionality-reduction techniques such as Principal Component Analysis uncover inherent heterogeneity in input data concordant with human-understandable explanations. Of the many applications for this framework, we find empirical evidence that there is intrinsic separability between real samples and those generated by artificial intelligence (AI).

Vargas, Max [Pacific Northwest National Laboratory↗

Verification of Numerical Programs: From Real Numbers to Floating Point Numbers

Numerical algorithms lie at the heart of many safety-critical aerospace systems. The complexity and hybrid nature of these systems often requires the use of interactive theorem provers to verify that these algorithms are logically correct. Usually, proofs involving numerical computations are conducted in the infinitely precise realm of the field of real numbers. However, numerical computations in these algorithms are often implemented using floating point numbers. The use of a finite representation of real numbers introduces uncertainties as to whether the properties veri ed in the theoretical setting hold in practice. This short paper describes work in progress aimed at addressing these concerns. Given a formally proven algorithm, written in the Program Verification System (PVS), the Frama-C suite of tools is used to identify sufficient conditions and verify that under such conditions the rounding errors arising in a C implementation of the algorithm do not affect its correctness. The technique is illustrated using an algorithm for detecting loss of separation among aircraft.

Goodloe, Alwyn E.↗

Measurement of Phased Array Point Spread Functions for Use with Beamforming

Microphone arrays can be used to localize and estimate the strengths of acoustic sources present in a region of interest. However, the array measurement of a region, or beam map, is not an accurate representation of the acoustic field in that region. The true acoustic field is convolved with the array s sampling response, or point spread function (PSF). Many techniques exist to remove the PSF's effect on the beam map via deconvolution. Currently these methods use a theoretical estimate of the array point spread function and perhaps account for installation offsets via determination of the microphone locations. This methodology fails to account for any reflections or scattering in the measurement setup and still requires both microphone magnitude and phase calibration, as well as a separate shear layer correction in an open-jet facility. The research presented seeks to investigate direct measurement of the array's PSF using a non-intrusive acoustic point source generated by a pulsed laser system. Experimental PSFs of the array are computed for different conditions to evaluate features such as shift-invariance, shear layers and model presence. Results show that experimental measurements trend with theory with regard to source offset. The source shows expected behavior due to shear layer refraction when observed in a flow, and application of a measured PSF to NACA 0012 aeroacoustic trailing-edge noise data shows a promising alternative to a classic shear layer correction method.

Bahr, Chris↗

Deep Learning Approaches for Predicting the Surface Tension of Ionic Liquids

Ionic liquids (ILs) are a novel class of solvents that have attracted significant attention due to their unique and tunable properties. Among their physiochemical characteristics, surface tension plays a critical role in various industrial applications including electrolytes, heat transfer fluids, and separation processes. However, because of the exploratory nature of IL design and the vast combinatorial space of possible anion–cation pairs, the experimental determination of these properties is often impractical, being both time-consuming and costly. To overcome these challenges, computational approaches are increasingly employed to develop accurate predictive models that can accelerate IL discovery and design. In this study, we present two deep learning (DL) models for predicting the surface tension of ILs across a broad temperature range at a constant pressure. The models use simplified molecular input line entry system, SMILES, representations of ILs to extract molecular features as inputs. Both DL models demonstrate excellent agreement with experimental data, achieving an R 2 value of 0.990 and a root-mean-square error of 0.792 mN/m. In conclusion, these results offer valuable insights for the rapid screening and rational design of ILs with tailored surface tension values.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Environmental controls on the light use efficiency of terrestrial gross primary production

Abstract Gross primary production (GPP) by terrestrial ecosystems is a key quantity in the global carbon cycle. The instantaneous controls of leaf‐level photosynthesis are well established, but there is still no consensus on the mechanisms by which canopy‐level GPP depends on spatial and temporal variation in the environment. The standard model of photosynthesis provides a robust mechanistic representation for C 3 species; however, additional assumptions are required to “scale up” from leaf to canopy. As a consequence, competing models make inconsistent predictions about how GPP will respond to continuing environmental change. This problem is addressed here by means of an empirical analysis of the light use efficiency (LUE) of GPP inferred from eddy covariance carbon dioxide flux measurements, in situ measurements of photosynthetically active radiation (PAR), and remotely sensed estimates of the fraction of PAR (fAPAR) absorbed by the vegetation canopy. Focusing on LUE allows potential drivers of GPP to be separated from its overriding dependence on light. GPP data from over 100 sites, collated over 20 years and located in a range of biomes and climate zones, were extracted from the FLUXNET2015 database and combined with remotely sensed fAPAR data to estimate daily LUE. Daytime air temperature, vapor pressure deficit, diffuse fraction of solar radiation, and soil moisture were shown to be salient predictors of LUE in a generalized linear mixed‐effects model. The same model design was fitted to site‐based LUE estimates generated by 16 terrestrial ecosystem models. The published models showed wide variation in the shape, the strength, and even the sign of the environmental effects on modeled LUE. These findings highlight important model deficiencies and suggest a need to progress beyond simple “goodness of fit” comparisons of inferred and predicted carbon fluxes toward an approach focused on the functional responses of the underlying dependencies.

54 ENVIRONMENTAL SCIENCES↗

Adaptive Methods for Radial Basis Functions

Radial basis functions (RBFs) are a powerful tool for constructing high-order accurate reduced representations of scattered data in arbitrary dimension and on manifolds. We present a method of constructing data approximations in which we utilize a functional tail to capture a global background profile and a RBF neural network (NN) to capture the smaller-scale features. In the RBF NN the RBF centers, matrix shape parameters were selected adaptively for each RBF. We also utilized a geodesic notion of distance on the manifold on which the data lies, e.g., the spherical geodesic for data on the sphere. Although each of these ideas have been been investigated separately in previous works, their combination into a single algorithm is novel. We defined a machine learning problem in which these properties are learned to minimize the data reduction error. We demonstrate the algorithm for applications of scattered data reduction in the plane and on the sphere.

97 MATHEMATICS AND COMPUTING↗

A m-ary linear feedback shift register with binary logic

A family of m-ary linear feedback shift registers with binary logic is disclosed. Each m-ary linear feedback shift register with binary logic generates a binary representation of a nonbinary recurring sequence, producible with a m-ary linear feedback shift register without binary logic in which m is greater than 2. The state table of a m-ary linear feedback shift register without binary logic, utilizing sum modulo m feedback, is first tubulated for a given initial state. The entries in the state table are coded in binary and the binary entries are used to set the initial states of the stages of a plurality of binary shift registers. A single feedback logic unit is employed which provides a separate feedback binary digit to each binary register as a function of the states of corresponding stages of the binary registers.

Perlman, M.↗

Curved grating fabrication techniques for concentric-circle grating, surface-emitting semiconductor lasers

We describe the fabrication and operational characteristics of a novel, surface-emitting semiconductor laser that makes use of a concentric-circle grating to both define its resonant cavity and to provide surface emission. A properly fabricated circular grating causes the laser to operate in radially inward- and outward-going circular waves in the waveguide, thus, introducing the circular symmetry needed for the laser to emit a beam with a circular cross-section. The basic circular-grating-resonator concept can be implemented in any materials system; an AlGaAs/GaAs graded-index, separate confinement heterostructure (GRINSCH), single-quantum-well (SQW) semiconductor laser, grown by molecular beam epitaxy (MBE), was used for the experiments discussed here. Each concentric-circle grating was fabricated on the surface of the AlGaAs/GaAs semiconductor laser. The circular pattern was first defined by electron-beam (e-beam) lithography in a layer of polymethylmethacrylate (PMMA) and subsequently etched into the semiconductor surface using chemically-assisted (chlorine) ion-beam etching (CAIBE). We consider issues that affect the fabrication and quality of the gratings. These issues include grating design requirements, data representation of the grating pattern, and e-beam scan method. We provide examples of how these techniques can be implemented and their impact on the resulting laser performance. A comparison is made of the results obtained using two fundamentally different electron-beam writing systems. Circular gratings with period lambda = 0.25 microns and overall diameters ranging from 80 microns to 500 microns were fabricated. We also report our successful demonstration of an optically pumped, concentric-circle grating, semiconductor laser that emits a beam with a far-field divergence angle that is less than one degree. The emission spectrum is quite narrow (less than 0.1 nm) and is centered at wavelength lambda = 0.8175 microns.

Jordan, Rebecca H.↗

Computational design of metamaterials with self contact

Inverse homogenization in combination with contact modeling, topology optimization and shape optimization is used to design metamaterials with optimized macroscopic response. The homogenization assumes length scale separation which allows the non-linear macroscopic behavior to be obtained by analyzing a single unit cell in a lattice structure. Self contact in the unit cell, which is modeled using a third medium contact method, is leveraged to obtain a complex homogenized response. The inverse homogenization problem is initially formulated as a topology optimization problem, where the macroscopic stress–strain behavior is tuned to our liking. However, it is well known that boundary phenomena are difficult to model in topology optimization and that interface modeling is crucial to accurately analyze contact. For that reason, the boundary representation of the topology optimized design is extracted and used as initial design in a subsequent shape optimization. The behaviors of our designs are verified by performing rigorous post-processing analyzes using conforming meshes and conventional contact formulations.

42 ENGINEERING↗

Automated Metadata Extraction: Challenges and Opportunities

Proper application of the FAIR data principles is what separates a vibrant data ecosystem, in which research data are frequently shared and reused, from a lifeless data graveyard. Automated metadata extraction systems have been proposed as a means of bolstering the findability, interoperability, and reusabil- ity of data repositories with little or no human intervention. These extraction systems mine metadata by crawling a repository and applying lightweight extractors that, for various types of file (e.g., image, CSV file), extract or synthesize relevant attributes. In practice, however, the automated creation of generally useful metadata is fraught with challenges. Data consumers may have different perspectives as to what metadata representations are useful, the standards for recording metadata tend to change over time, and the software model for processing updates can introduce unnecessary human and computational effort. Thus, generalizing extraction for a broad audience of data consumers is a difficult and relatively unsolved problem.In this work, we explore these challenges faced by extraction systems in the context of constructing our own extraction system for science data. We first define the metadata extraction problem and provide context to the issues faced in generalizing metadata. Additionally, we identify potential research directions to help alleviate many of these challenges for all automated extraction systems. Ultimately, this work represents a first step in designing ubiquitous metadata extraction systems that can maximize the value of research data while minimizing the human efforts required in doing so.

Skluzacek, Tyler↗

Choosing Meteorological Input for the Global Modeling Initiative Assessment of High Speed Aircraft

The Global Modeling Initiative (GMI) science team is developing a three dimensional chemistry and transport model (CTM) to be used in assessment of the atmospheric effects of aviation. Requirements are that this model be documented, be validated against observations, use a realistic atmospheric circulation, and contain numerical transport and photochemical modules representing atmospheric processes. The model must also retain computational efficiency to be tractable to use for multiple scenarios and sensitivity studies. To meet these requirements, a facility model concept was developed in which the different components of the CTM are evaluated separately. The first use of the GMI model will be to evaluate the impact of the exhaust of supersonic aircraft on the stratosphere. The assessment calculations will depend strongly on the wind and temperature fields used by the CTM. Three meteorological data sets for the stratosphere are available to GMI: the National Center for Atmospheric Research Community Climate Model (CCM2), the Goddard Earth Observing System Data Assimilation System (GEOS DAS), and the Goddard Institute for Space Studies general circulation model (GISS). Objective criteria were established by the GMI team to identify the data set which provides the best representation of the stratosphere. Simulations of gases with simple chemical control were chosen to test various aspects of model transport. The three meteorological data sets were evaluated and graded based on their ability to simulate these aspects of stratospheric measurements. This paper describes the criteria used in grading the meteorological fields. The meteorological data set which has the highest score and therefore was selected for GMI is CCM2. This type of objective model evaluation establishes a physical basis for interpretation of differences between models and observations. Further, the method provides a quantitative basis for defining model errors, for discriminating between different models, and for ready re-evaluation of improved models. These in turn will lead to a higher level of confidence in assessment calculations.

Douglas, A. R.↗

Choosing Meteorological Input for the Global Modeling Initiative Assessment of High Speed Aircraft

The Global Modeling Initiative (GMI) science team is developing a three dimensional chemistry and transport model (CTM) to be used in assessment of the atmospheric effects of aviation. Requirements are that this model be documented be validated against observations, use a realistic atmospheric circulation, and contain numerical transport and photochemical modules representing atmospheric processes. The model must also retain computational efficiency to be tractable to use for multiple scenarios and sensitivity studies. To meet these requirements, a facility model concept was developed in which the different components of the CTM are evaluated separately. The first use of the GMI model will be to evaluate the impact of the exhaust of supersonic aircraft on the stratosphere. The assessment calculations will depend strongly on the wind and temperature fields used by the CTM. Three meteorological data sets for the stratosphere are available to GMI: the National Center for Atmospheric Research Community Climate Model (CCM2), the Goddard Earth Observing System Data Assimilation System (GEOS DAS), and the Goddard Institute for Space Studies general circulation model (GISS). Objective criteria were established by the GMI team to identify the data set which provides the best representation of the stratosphere. Simulations of gases with simple chemical control were chosen to test various aspects of model transport. The three meteorological data sets were evaluated and graded based on their ability to simulate these aspects of stratospheric measurements. This paper describes the criteria used in grading the meteorological fields. The meteorological data set which has the highest score and therefore was selected for GMI is CCM2. This type of objective model evaluation establishes a physical basis for interpretation of differences between models and observations. Further, the method provides a quantitative basis for defining model errors, for discriminating between different models, and for ready re-evaluation of improved models. These in turn will lead to a higher level of confidence in assessment calculations.

Douglass, A. R.↗

NASA Tech Briefs, November 2006

Topics include: Simulator for Testing Spacecraft Separation Devices; Apparatus for Hot Impact Testing of Material Specimens; Instrument for Aircraft-Icing and Cloud-Physics Measurements; Advances in Measurement of Skin Friction in Airflow; Improved Apparatus for Testing Monoball Bearings; High-Speed Laser Scanner Maps a Surface in Three Dimensions; Electro-Optical Imaging Fourier-Transform Spectrometer; Infrared Instrument for Detecting Hydrogen Fires; Modified Coaxial Probe Feeds for Layered Antennas; Detecting Negative Obstacles by Use of Radar; Cryogenic Pound Circuits for Cryogenic Sapphire Oscillators; PixelLearn; New Software for Predicting Charging of Spacecraft; Conversion Between Osculating and Mean Orbital Elements; Generating a 2D Representation of a Complex Data Structure; Making Activated Carbon by Wet Pressurized Pyrolysis; Composite Solid Electrolyte Containing Li+- Conducting Fibers; Electrically Conductive Anodized Aluminum Surfaces; Rapid-Chill Cryogenic Coaxial Direct-Acting Solenoid Valve; Variable-Tension-Cord Suspension/Vibration- Isolation System; Techniques for Connecting Superconducting Thin Films; Versatile Friction Stir Welding/Friction Plug Welding System; Thermal Spore Exposure Vessels; Enumerating Spore-Forming Bacteria Airborne with Particles; Miniature Oxidizer Ionizer for a Fuel Cell; Miniature Ion-Array Spectrometer; Promoted-Combustion Chamber with Induction Heating Coil; Miniature Ion-Mobility Spectrometer; Mixed-Salt/Ester Electrolytes for Low-Temperature Li+ Cells; Miniature Free-Space Electrostatic Ion Thrusters; Miniature Bipolar Electrostatic Ion Thruster; Holographic Plossl Retroreflectors; Miniature Electrostatic Ion Thruster With Magnet; Using Apex To Construct CPM-GOMS Models; Sequence Detection for PPM Optical Communication With ISI; Algorithm for Rapid Searching Among Star-Catalog Entries; Expectation-Based Control of Noise and Chaos; Radio Heating of Lunar Soil to Release Gases; Using Electrostriction to Manipulate Ullage in Microgravity; Equations for Scoring Rules When Data Are Missing; Insulating Material for Next-Generation Spacecraft; and Pseudorandom Switching for Adding Radar to the AFF Sensor.

Source record↗

Displaying Composite and Archived Soundings in the Advanced Weather Interactive Processing System

In a previous task, the Applied Meteorology Unit (AMU) developed spatial and temporal climatologies of lightning occurrence based on eight atmospheric flow regimes. The AMU created climatological, or composite, soundings of wind speed and direction, temperature, and dew point temperature at four rawinsonde observation stations at Jacksonville, Tampa, Miami, and Cape Canaveral Air Force Station, for each of the eight flow regimes. The composite soundings were delivered to the National Weather Service (NWS) Melbourne (MLB) office for display using the National version of the Skew-T Hodograph analysis and Research Program (NSHARP) software program. The NWS MLB requested the AMU make the composite soundings available for display in the Advanced Weather Interactive Processing System (AWIPS), so they could be overlaid on current observed soundings. This will allow the forecasters to compare the current state of the atmosphere with climatology. This presentation describes how the AMU converted the composite soundings from NSHARP Archive format to Network Common Data Form (NetCDF) format, so that the soundings could be displayed in AWl PS. The NetCDF is a set of data formats, programming interfaces, and software libraries used to read and write scientific data files. In AWIPS, each meteorological data type, such as soundings or surface observations, has a unique NetCDF format. Each format is described by a NetCDF template file. Although NetCDF files are in binary format, they can be converted to a text format called network Common data form Description Language (CDL). A software utility called ncgen is used to create a NetCDF file from a CDL file, while the ncdump utility is used to create a CDL file from a NetCDF file. An AWIPS receives soundings in Binary Universal Form for the Representation of Meteorological data (BUFR) format (http://dss.ucar.edu/docs/formats/bufr/), and then decodes them into NetCDF format. Only two sounding files are generated in AWIPS per day. One file contains all of the soundings received worldwide between 0000 UTC and 1200 UTC, and the other includes all soundings between 1200 UTC and 0000 UTC. In order to add the composite soundings into AWIPS, a procedure was created to configure, or localize, AWIPS. This involved modifying and creating several configuration text files. A unique fourcharacter site identifier was created for each of the 32 soundings so each could be viewed separately. The first three characters were based on the site identifier of the observed sounding, while the last character was based on the flow regime. While researching the localization process for soundings, the AMU discovered a method of archiving soundings so old soundings would not get purged automatically by AWl PS. This method could provide an alternative way of localizing AWl PS for composite soundings. In addition, this would allow forecasters to use archived soundings in AWIPS for case studies. A test sounding file in NetCDF format was written in order to verify the correct format for soundings in AWIPS. After the file was viewed successfully in AWIPS, the AMU wrote a software program in the Tool Command Language/Tool Kit (Tcl/Tk) language to convert the 32 composite soundings from NSHARP Archive to CDL format. The ncgen utility was then used to convert the CDL file to a NetCDF file. The NetCDF file could then be read and displayed in AWIPS.

Barrett, Joe H., III↗

Electronic Procedures for Medical Operations

Electronic procedures are replacing text-based documents for recording the steps in performing medical operations aboard the International Space Station. S&K Aerospace, LLC, has developed a content-based electronic system-based on the Extensible Markup Language (XML) standard-that separates text from formatting standards and tags items contained in procedures so they can be recognized by other electronic systems. For example, to change a standard format, electronic procedures are changed in a single batch process, and the entire body of procedures will have the new format. Procedures can be quickly searched to determine which are affected by software and hardware changes. Similarly, procedures are easily shared with other electronic systems. The system also enables real-time data capture and automatic bookmarking of current procedure steps. In Phase II of the project, S&K Aerospace developed a Procedure Representation Language (PRL) and tools to support the creation and maintenance of electronic procedures for medical operations. The goal is to develop these tools in such a way that new advances can be inserted easily, leading to an eventual medical decision support system.

Source record↗

Comparison of Machine Learning Approaches for Prediction of the Equivalent Alkane Carbon Number for Microemulsions Based on Molecular Properties

The chemical properties of oils are vital in the design of microemulsion systems. The hydrophilic–lipophilic difference equation used to predict microemulsions’ phase behavior expresses the oils’ physiochemical properties as the equivalent alkane carbon number (EACN). The experimental determination of EACN requires knowledge of the temperature dependence of the microemulsion system and the effects of different surfactant concentrations. Thus, the experimental determination is time-intensive and tedious, requiring days to months for proper separations. Furthermore, the experiments require high purity of chemicals because microemulsions are sensitive to impurities. Our work focuses on the quick and reliable predictions of the EACN with machine learning (ML) models. Due to the immaturity of ML chemical predictions, we compare three graph neural networks (GNNs) and a gradient-boosted tree algorithm, known as XGBoost. The GNNs use the molecular structures represented as simplified molecular-input line-entry system (SMILES) codes for the initial input, which allows us to assess whether geometry optimization is necessary for reliable results. The XGBoost model also begins with the SMILES representations of the molecules but uses molecular descriptors instead of geometry optimizations. As a result, the best model tested (crystal graph convolutional neural network with Merck molecular force field-94) has an error of 1.15 EACN units of the true EACN for unknown data with the errors skewed toward zero and an R² score of 0.9

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Excitations of elementary fermions in gauge Higgs theories

Static quark-antiquark states in QCD, at finite quark separation, have a spectrum of metastable states corresponding to string-like excitations of the gauge field. In this article I suggest that there may also exist an excitation spectrum of heavy fermions in some gauge Higgs theories deep in the Higgs phase. In this situation there are no color electric flux tubes connecting quarks with antiquarks. There may, nonetheless, exist stable excitations of the bosonic fields surrounding an isolated fermion, below the particle production threshold. I present numerical evidence indicating the existence of such excitations in an SU(3) gauge Higgs theory, with the scalar field in the fundamental representation of the gauge group.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗