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NASA NTRS1992

Operational seasonal and interannual predictions of ocean conditions

Dr. Leetmaa described current work at the U.S. National Meteorological Center (NMC) on coupled systems leading to a seasonal prediction system. He described the way in which ocean thermal data is quality controlled and used in a four dimensional data assimilation system. This consists of a statistical interpolation scheme, a primitive equation ocean general circulation model, and the atmospheric fluxes that are required to force this. This whole process generated dynamically consist thermohaline and velocity fields for the ocean. Currently routine weekly analyses are performed for the Atlantic and Pacific oceans. These analyses are used for ocean climate diagnostics and as initial conditions for coupled forecast models. Specific examples of output products were shown both in the Pacific and the Atlantic Ocean.

Leetmaa, Ants↗

NASA NTRS1993

Chronology, eruption duration, and atmospheric contribution of Apollinaris Patera, Mars

Geologic mapping from Viking image data of the Martian volcano Apollinaris Patera allowed identification of 6 major events that shaped its current morphology. Derivation of new topographic data allowed accurate estimates of the volume of erupted products from which estimates of an eruption duration are presented for the edifice and its corresponding atmospheric water contribution. Topographic data were acquired using stereophotogrammetric (Viking picnos 603A42, 639A92) techniques in both profiling and contouring modes (1 km contour). The profiling mode results in a more precise measurement than the contouring mode, but is limited in its areal coverage. The contour data are used in a more general sense to provide synoptic coverage for the volcano. These new stereophotogrammetric measurements constrain the topography to an accuracy of approximately 800 m vertically and approximately 1000 m horizontally. Conversion of the derived contour map to a raster based digital elevation model (DEM) was done by a growing contours interpolation. An ambiguity arises in this volume calculation due to an uncertainty regarding the actual base of the volcano relative to the pre-existing topography. Thus, the volume estimate was bracketed by using the 100 m and the 750 m elevations, which generally correspond to the lower and upper portions of the circumferential basal scarp, respectively. The resulting volumes are 103,000 cu km and 97,000 cu km; therefore the total volume of Apollinaris Patera is estimated to be approximately 100,000 cu km.

Robinson, M. S.↗

NASA NTRS2008

Issues in Data Fusion for Satellite Aerosol Measurements for Applications with GIOVANNI System at NASA GES DISC

We look at issues, barriers and approaches for Data Fusion of satellite aerosol data as available from the GES DISC GIOVANNI Web Service. Daily Global Maps of AOT from a single satellite sensor alone contain gaps that arise due to various sources (sun glint regions, clouds, orbital swath gaps at low latitudes, bright underlying surfaces etc.). The goal is to develop a fast, accurate and efficient method to improve the spatial coverage of the Daily AOT data to facilitate comparisons with Global Models. Data Fusion may be supplemented by Optimal Interpolation (OI) as needed.

Gopalan, Arun↗

NASA NTRS2018

Impact of GPM Rainrate Data Assimilation on Simulation of Hurricane Harvey (2017)

Built upon Tropical Rainfall Measuring Mission (TRMM) legacy for next-generation global observation of rain and snow. The GPM was launched in February 2014 with Dual-frequency Precipitation Radar (DPR) and GPM Microwave Imager (GMI) onboard. The GPM has a broad global coverage approximately 70deg S -70deg N with a swath of 245/125-km for the Ka (35.5 GHz)/Ku (13.6 GHz) band radar, and 850-km for the 13-channel GMI. GPM also features better retrievals for heavy, moderate, and light rain and snowfall To develop methodology to assimilate GPM surface precipitation data with Grid-point Statistical Interpolation (GSI) data assimilation system and WRF ARW model To investigate the potential and the value of utilizing GPM observation into NWP for operational environment The GPM rain rate data has been successfully assimilated using the GSI rain data assimilation package. Impacts of rain rate data have been found in temperature and moisture fields of initial conditions. 2.Assimilation of either GPM IMERG or GPROF rain product produces significant improvement in precipitation amount and structure for Hurricane Harvey (2017) forecast. Since IMERG data is available half-hourly, further forecast improvement is expected with continuous assimilation of IMERG data

Precipitation↗

NASA NTRSDate not supplied

BEAST: Expanding Sustainable Data Infrastructure for High-Enthalpy Facilities

Reproducible, data-driven thermal protection system (TPS) research requires that experimental records from high-enthalpy testing be consistently structured, traceable, and accessible across campaigns and institutions. In practice, however, arcjet and plasma facilities data remain largely fragmented: raw diagnostics are stored in ad hoc formats, material sample histories are disconnected from test conditions, and metadata standards are absent, precluding systematic cross-campaign analysis and long-term reuse. BEAST (Backend for Experiment Analysis, Storage, and Traceability) is an open-source, web-based platform that addresses these limitations by providing a unified, queryable infrastructure for high-enthalpy ground-test data [1]. First presented at the 15th Ablation Workshop [2], BEAST has since undergone significant development. The platform ingests and structures multi-channel time-series diagnostics, facility configurations, and material property records within a common provenance model, ensuring end-to-end traceability from raw sensor acquisition to reduced experimental quantities. A versioned material library links specimen identity and processing history to the specific runs in which each sample was tested. An integrated modeling workbench enables training and evaluation of regression models directly on archived experimental data, supporting condition interpolation and the construction of empirical material response databases. Beyond its original deployment at NASA Ames Research Center, BEAST has been designed to be facility-agnostic, with ongoing efforts to extend its adoption to other facilities. Its modular architecture accommodates heterogeneous diagnostic setups and facility types, and its future open-source distribution allows institutions to build on a common data standard rather than maintaining isolated, bespoke solutions. BEAST is further integrated within a broader ecosystem of companion tools: arcjetCV [3] extracts recession rates and shock standoff distances from high-speed video using computer vision, and miniSTARscan [4] provides sub-minute, portable photogrammetric surface reconstruction of test articles before and after exposure. All tools share a common data schema, enabling seamless ingestion of surface geometry, imagery, and time-series data into a single, coherent experimental record.

Database↗

NASA NTRSDate not supplied

BEAST: Expanding Sustainable Data Infrastructure for High-Enthalpy Facilities

Database↗

DOE OSTI2024

A Generalized approach to the operationalization of Software Quality Models

Comprehensive measures of quality are a research imperative, yet the development of software quality models is a wicked problem. Definitive solutions do not exist and quality is subjective at its most abstract. Definitional measures of quality are contingent on a domain, and even within a domain, the choice of representative characteristics to decompose quality is subjective. Thus, the operationalization of quality models brings even more challenges. A promising approach to quality modeling is the use of hierarchies to represent characteristics, where lower levels of the hierarchy represent concepts closer to real-world observations. Building upon prior hierarchical modeling approaches, we developed the Platform for Investigative software Quality Understanding and Evaluation (PIQUE). PIQUE surmounts several quality modeling challenges because it allows modelers to instantiate abstract hierarchical models in any domain by leveraging organizational tools tailored to their specific contexts. Here, we introduce PIQUE; exemplify its utility with two practical use cases; address challenges associated with parameterizing a PIQUE model; and describe algorithmic techniques that tackle normalization, aggregation, and interpolation of measurements.

Data aggregation↗

DOE OSTI2024

On the applicability of the Redlich-Kister framework for viscosity estimation of molten halide salt mixtures

For molten halide salt mixtures already being utilized or under consideration for carbon-free energy production systems, it is crucial that their viscosity is well understood so that system thermal hydraulics can be reliably assessed. Because of the difficulty in accurately measuring molten halide viscosity and the sheer size of the matrix of possible higher order salt mixtures that may be of interest to the energy industry, there are several gaps in the quantified understanding of molten halide viscosity across this matrix. As such, both first-principles and semi-empirical modeling techniques may be crucial for rapidly assessing this broad, complex compositional domain. Herein, the Redlich-Kister framework is applied to assess the feasibility of broadly interpolating and estimating the viscosity of several pseudobinary and pseudoternary molten halide salt systems that may be of key interest to the energy industry. The framework is based on the assumption that an ideal component and a nonideal component collectively describe the viscosity as a function of composition and temperature for a given molten halide system. Three different ideal models were considered for the ideal component, including Grunburg-Nissan, Katti-Chaudhri, and Gambill methods. Regarding the pseudobinary interpolations, the Redlich-Kister models with either the Grunburg-Nissan or Katti-Chaudhri models as the ideal component resulted in either highly (average error less than 5%) or reasonably (average error less than 15%) accurate interpolations of pseudobinary halide viscosity; BeF 2 - or UF 4 -bearing salts tended to result in reasonably accurate interpolations, whereas other pseudobinary mixtures tended to show high accuracy. Regarding the pseudoternary extrapolations, the Redlich-Kister framework shows reasonable success at estimating the extent to which a pseudoternary system may indicate deviations from ideal Grunburg-Nissan mixing, where discrepancies with comparative experimental data generally stay within 30%. Finally, the primary reasons identified for such discrepancies are (1) inaccuracy in the underlying experimental data, (2) different complexation behavior in the higher order systems compared to the pseudobinary subsystems, and (3) extrapolation into temperatures too far out of the domain, which is valid for the underlying experimental data feeding the Redlich-Kister model.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2025

Bayesian prior construction for uncertainty quantification in first-principles statistical mechanics

First-principles statistical mechanics enables the prediction of thermodynamic and kinetic properties of materials, but is computationally expensive. Many approaches require surrogate models to calculate energies within Monte Carlo or molecular dynamics simulations. Inexpensive surrogates such as cluster expansions enable otherwise intractable calculations by interpolating data from higher accuracy methods, such as Density Functional Theory (DFT). Surrogate models introduce uncertainty into downstream calculations, in addition to any uncertainty inherent to DFT calculations. Bayesian frameworks address this by quantifying uncertainty and incorporating expert knowledge through priors. However, constructing effective priors remains challenging. This work introduces and describes practical strategies for building Bayesian cluster expansions, focusing on basis truncation, hyperparameter selection, and ground state replication. We analyze multiple basis truncation schemes, compare cross-validation to the evidence-approximation for hyperparameter optimization, and provide methods to find and enforce ground-state-preserving models through priors. Additionally, we compare the uncertainties between different approximations to DFT (LDA, PBE, SCAN) against the uncertainty introduced with the use of cluster expansion surrogate models. These approaches are demonstrated on the BCC Li x Mg 1-x and Li x Al 1-x alloys, which are both of interest for solid-state Li batteries. Our results provide guidelines for constructing and utilizing Bayesian cluster expansions, thereby improving the transparency of materials modeling. Furthermore, the approaches and insights developed in this work can be transferred to a wide range of cluster expansion surrogate models, including the atomic cluster expansion and related machine-learned interatomic potential architectures.

Alloy theory↗

DOE OSTI2020

Gradient-based constrained optimization using a database of linear reduced-order models

A methodology grounded in model reduction is presented for accelerating the gradient-based solution of a family of linear or nonlinear constrained optimization problems where the constraints include at least one linear Partial Differential Equation (PDE). A key component of this methodology is the construction, during an offline phase, of a database of pointwise, linear, Projection-based Reduced-Order Models (PROM)s associated with a design parameter space and the linear PDE(s). A parameter sampling procedure based on an appropriate saturation assumption is proposed to maximize the efficiency of such a database of PROMs. A real-time method is also presented for interpolating at any queried but unsampled parameter vector in the design parameter space the relevant sensitivities of a PROM. The practical feasibility, computational advantages, and performance of the proposed methodology are demonstrated for several realistic, nonlinear, aerodynamic shape optimization problems governed by linear aeroelastic constraints.

97 MATHEMATICS AND COMPUTING↗

NASA NTRSDate not supplied

Understanding and Utilizing PBL Height Data from Multiple Observing Systems in the GEOS System

The accuracy of PBL height simulation is a key issue in many applications including forecasting near surface meteorology and air quality, however, it is a very challenging problem due to the lack of not only comprehensive, global Planetary Boundary Layer (PBL) observations but also a strategy and infrastructure to utilize PBL height data from a variety of sensors. Following the designation of PBL as an incubation class observable in the 2017 Decadal Survey, the PBL Incubation Study Team Report [14] made clear that “a future global PBL observing system requires modeling and data assimilation as essential components.” There is an urgent need for global modeling development in order to utilize Program of Record (POR) observations, assess their impacts, and identify gaps to be filled by future PBL missions. Our overall objective is to develop PBL data assimilation capabilities in the NASA Global Earth Observing System (GEOS), focusing on PBL height from multiple observing systems, to support the assessment and use of future PBL observations. The NASA GEOS system is composed of the GEOS global atmospheric general circulation model (AGCM) and the atmospheric data assimilation system (ADAS). The PBL parameterizations include the “Lock” K-profile scheme driven by surface and cloud-top buoyancy fluxes ([4]), and the “Louis” local scheme for stable conditions based on the Richardson number ([5]). Above the mixed layer defined by the Lock surface plume, shallow cumulus convection is represented by the mass flux scheme of [9]. Additional parameterizations are summarized in [1]. The ADAS employs the hybrid 4D Ensemble- Variational (EnVar) configuration ([15]), with the ensemble providing flow-dependent background error covariance information. The resultant analysis increments are fed back to the forecast model through the 4D incremental analysis update (IAU) approach ([11]). In this study, PBL height data are being or have been generated from radiosondes, GNSS RO, satellite (CATS, CALIPSO and ICESat-2) and ground-based (MPLNET) lidars, and wind profiler. Investigations have been conducted to specify quality marks for PBL height retrievals for the data assimilation purpose. These PBL height data have different strengths and weaknesses ([2], [3], [6], [7], [8], [10]), and the satellite PBL height data provide better global coverage and complement in-situ PBL height data. Radiosondes offer high accuracy and in situ measurement of temperature and humidity profiles, but with poor spatio-temporal sampling. The in-situ observing systems like MPLNET and wind profiler provide long history of PBL height records at each station. The GNSS RO based PBL height is retrieved based on the sharp gradients in refractivity profile that represent the fine vertical structure of temperature and moisture changes above the PBL. However, not all RO refractivity profiles reach the surface depending on location and regime, and RO refractivity retrievals can be negatively biased below 2km. The PBL height data from satellite lidars provide high resolution along track PBL height retrievals, but over land they are affected by previous day convective PBL aerosol and strongly associated with mixing layer and retrievals cannot be made below thick, attenuating clouds. A successful assimilation of PBL height data requires a thorough understanding of the observing method and the retrieval algorithm for each observing system in order to use the PBL height data from multiple observing systems properly. Due to the sensitivity of PBL height data to the observing method and choice of algorithm, it is important to use a model definition appropriate for each observation type to compute differences between PBL height data and model PBL height (OmFs). The GEOS model currently includes two PBL height definitions suitable for direct comparison with observed PBL height, and additional definitions are being added in this study. Evaluation of different model PBL height definitions is underway. Meanwhile, efforts have been made in the GEOS data assimilation system to develop PBL height data assimilation capability. PBL height data can be assimilated using two different approaches. The traditional approach is to construct an observation operator and its tangent linear and adjoint, which link control variables to PBL height data from each observing system. This observation operator can be very complicated, e.g., the lidar-based PBL height observation operator includes the backscatter lidar forward observation operator, the algorithm to derive PBL height from attenuated total backscatter, interpolation, and calculations handling the mismatch between observed and model scales. The other approach is to augment PBL height to the control variable vector, and it is adopted in this study. The latter approach was also used in previous studies, e.g., the assimilation of PBL height data from radiosonde and aircraft in the Real Time Mesoscale Analysis (RTMA) system for a dispersion modelling study ([13]); the PBL height assimilation study using lidar PBL height data at Greensburg, Kansas for a field campaign ([12]). The PBL height assimilation from multiple observing systems in this study allows us to take advantage of the diverse PBL height data that provide much better global coverage collectively under different meteorological conditions and with different temporal and spatial scales. As all the PBL heights are tightly coupled with the PBL thermodynamic variables, the strong correlations, which are provided by the 4D ensemble forecast, enable PBL height data from various sources to interact and combine coherently and provide additional information for PBL temperature and moisture fields. The results of comparisons among PBL height data from different sources and the evaluation of the model PBL height definitions with the PBL height data will be presented, and the PBL height data synergy strategies and preliminary results will also be discussed at the conference.

Y. Zhu↗

DOE OSTI2024

VpROM: a novel variational autoencoder-boosted reduced order model for the treatment of parametric dependencies in nonlinear systems

Reduced Order Models (ROMs) are of considerable importance in many areas of engineering in which computational time presents difficulties. Established approaches employ projection-based reduction, such as Proper Orthogonal Decomposition. The limitation of the linear nature of such operators is typically tackled via a library of local reduction subspaces, which requires the assembly of numerous local ROMs to address parametric dependencies. Our work attempts to define a more generalisable mapping between parametric inputs and reduced bases for the purpose of generative modeling. We propose the use of Variational Autoencoders (VAEs) in place of the typically utilised clustering or interpolation operations, for inferring the fundamental vectors, termed as modes, which approximate the manifold of the model response for any and each parametric input state. The derived ROM still relies on projection bases, built on the basis of full-order model simulations, thus retaining the imprinted physical connotation. However, it additionally exploits a matrix of coefficients that relates each local sample response and dynamics to the global phenomena across the parametric input domain. The VAE scheme is utilised for approximating these coefficients for any input state. This coupling leads to a high-precision low-order representation, which is particularly suited for problems where model dependencies or excitation traits cause the dynamic behavior to span multiple response regimes. Moreover, the probabilistic treatment of the VAE representation allows for uncertainty quantification on the reduction bases, which may then be propagated to the ROM response. The performance of the proposed approach is validated on an open-source simulation benchmark featuring hysteresis and multi-parametric dependencies, and on a large-scale wind turbine tower characterised by nonlinear material behavior and model uncertainty.

Conditional VAEs↗

DOE OSTI2023

Spin dynamics of the generalized quantum spin compass chain

Here we calculate the dynamical spin structure factor of the generalized spin-1/2 compass spin chain using the density matrix renormalization group. The model, also known as the twisted Kitaev spin chain, was recently proposed to be relevant for the description of the spin chain compound CoNb 2 O 6 . It features bond-dependent interactions and interpolates between an Ising chain and a one-dimensional variant of Kitaev's honeycomb spin model. The structure factor, in turn, is found to interpolate from gapped and nondispersive in the Ising limit to gapless with nontrivial continua in the Kitaev limit. In particular, the component of the structure factor perpendicular to the Ising directions changes abruptly at the Kitaev point into a dispersionless continuum due to the emergence of an extensive ground-state degeneracy. We show this continuum is consistent with analytical Jordan-Wigner results. We also discuss implications for future inelastic scattering experiments and applications to materials, particularly CoNb 2 O 6 .

1-dimensional spin chains↗

NASA NTRS1995

Technical report series on global modeling and data assimilation. Volume 4: Documentation of the Goddard Earth Observing System (GEOS) data assimilation system, version 1

This report describes the analysis component of the Goddard Earth Observing System, Data Assimilation System, Version 1 (GEOS-1 DAS). The general features of the data assimilation system are outlined, followed by a thorough description of the statistical interpolation algorithm, including specification of error covariances and quality control of observations. We conclude with a discussion of the current status of development of the GEOS data assimilation system. The main components of GEOS-1 DAS are an atmospheric general circulation model and an Optimal Interpolation algorithm. The system is cycled using the Incremental Analysis Update (IAU) technique in which analysis increments are introduced as time independent forcing terms in a forecast model integration. The system is capable of producing dynamically balanced states without the explicit use of initialization, as well as a time-continuous representation of non- observables such as precipitation and radiational fluxes. This version of the data assimilation system was used in the five-year reanalysis project completed in April 1994 by Goddard's Data Assimilation Office (DAO) Data from this reanalysis are available from the Goddard Distributed Active Center (DAAC), which is part of NASA's Earth Observing System Data and Information System (EOSDIS). For information on how to obtain these data sets, contact the Goddard DAAC at (301) 286-3209, EMAIL daac@gsfc.nasa.gov.

Suarez, Max J.↗

NASA NTRS2015

Assimilation of GPM GMI Rainfall Product with WRF GSI

The Global Precipitation Measurement (GPM) is an international mission to provide next-generation observations of rain and snow worldwide. The GPM built on Tropical Rainfall Measuring Mission (TRMM) legacy, while the core observatory will extend the observations to higher latitudes. The GPM observations can help advance our understanding of precipitation microphysics and storm structures. Launched on February 27th, 2014, the GPM core observatory is carrying advanced instruments that can be used to quantify when, where, and how much it rains or snows around the world. Therefore, the use of GPM data in numerical modeling work is a new area and will have a broad impact in both research and operational communities. The goal of this research is to examine the methodology of assimilation of the GPM retrieved products. The data assimilation system used in this study is the community Gridpoint Statistical Interpolation (GSI) system for the Weather Research and Forecasting (WRF) model developed by the Development Testbed Center (DTC). The community GSI system runs in independently environment, yet works functionally equivalent to operational centers. With collaboration with the NASA Short-term Prediction Research and Transition (SPoRT) Center, this research explores regional assimilation of the GPM products with case studies. Our presentation will highlight our recent effort on the assimilation of the GPM product 2AGPROFGMI, the retrieved Microwave Imager (GMI) rainfall rate data for initializing a real convective storm. WRF model simulations and storm scale data assimilation experiments will be examined, emphasizing both model initialization and short-term forecast of precipitation fields and processes. In addition, discussion will be provided on the development of enhanced assimilation procedures in the GSI system with respect to other GPM products. Further details of the methodology of data assimilation, preliminary result and test on the impact of GPM data and the influence on precipitation forecast will be presented at the conference.

Li, Xuanli↗

DOE OSTI2020

A continuum damage mechanics (CDM) based Wilshire model for creep deformation, damage, and rupture prediction

In this report, a new constitutive model is derived that combines the Wilshire equations with continuum damage mechanics (CDM) to enable the long-term prediction of creep deformation, damage, and rupture. The Wilshire equations have been demonstrated to accurately extrapolate the stress-rupture, minimum-creep-strain-rate, and time-to-strain of various alloys across decade of life. Recently, the time-to-creep-strain equation has been rearranged to predict creep deformation curves; however, the resulting equation is difficult to calibrate and does not track damage. The CDM-based Sinh constitutive model accurately predicts creep deformation, damage, and stress-rupture for a variety of alloys; however, it lacks an explicit description of stress and temperature co-dependence which limits interpolation and extrapolation ability. In this study, the Wilshire and the CDM-based Sinh equations are combined to create the “WCS” model. The WCS model combines the best features of each model while eliminating their deficiencies. Experimental data for alloy P91 is gathered and the WCS model is calibrated to the data. The WCS model accurately predicts the stress rupture, minimum-creep-strain-rate, creep deformation, and damage of alloy P91 across the experimental stress and temperature range as well as consistency in parametric simulations.

36 MATERIALS SCIENCE↗

NASA NTRS1981

Low-level circulations induced by an upper-level jet in a fine mesh numerical model

Attention is given to varying the initial conditions in the Penn State three-dimensional numerical model in the development of the low-level jet over the Ohio Valley during the 10 May 1973 severe weather event. The results of two forecasts are summarized: (1) the control forecast which interpolated the National Meteorological Center's operational analysis to the mesoscale model grid; and (2) modifying the control forecast by inserting artificial soundings and surface observations. Enhancements are made on the basis of subsynoptic scale analyses by Uccellini and surface data. The results indicate that the low-level jet was in part induced by pressure changes associated with deceleration and horizontal divergence of air in the exit region of the upper-level jet. The enhancement of the initial moisture field using surface reports of clouds and precipitation has a substantial effect on precipitation.

Burkhart, R. P.↗

DOE OSTI2024

Cosmological probes of Dark Radiation from Neutrino Mixing

Abstract Models of stepped dark radiation have recently been found to have an important impact on the anisotropies of the cosmic microwave background, aiding in easing the Hubble tension. In this work, we study models with a sector of dark radiation with a step in its abundance, which thermalizes after big bang nucleosynthesis by mixing with the standard model neutrinos. For this, we extend an earlier work which has focused on the background evolution only until the dark sector thermalizes by deriving the full background and perturbation equations of the model and implementing them in an Einstein-Boltzmann solving code. We expound on the behavior of this model, discussing the wide range of parameters that result in interesting and viable cosmologies that dynamically generate dark radiation during a range of epochs. We find that for the strongly self-coupled regime, there is no large cosmological impact for a tight prior on the mass, whereas larger mass ranges allow a smooth interpolation between a behavior close to the ΛCDM cosmological standard model and close to an additional component of strongly self-interacting dark radiation. In the weakly self-coupled regime we find that we can accommodate a parameter space relevant for the neutrino anomalies as well as one relevant to easing the Hubble tension.

Astronomy & Astrophysics↗