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NASA NTRS2010

Australian Soil Moisture Field Experiments in Support of Soil Moisture Satellite Observations

Large-scale field campaigns provide the critical fink between our understanding retrieval algorithms developed at the point scale, and algorithms suitable for satellite applications at vastly larger pixel scales. Retrievals of land parameters must deal with the substantial sub-pixel heterogeneity that is present in most regions. This is particularly the case for soil moisture remote sensing, because of the long microwave wavelengths (L-band) that are optimal. Yet, airborne L-band imagers have generally been large, heavy, and required heavy-lift aircraft resources that are expensive and difficult to schedule. Indeed, US soil moisture campaigns, have been constrained by these factors, and European campaigns have used non-imagers due to instrument and aircraft size constraints. Despite these factors, these campaigns established that large-scale soil moisture remote sensing was possible, laying the groundwork for satellite missions. Starting in 2005, a series of airborne field campaigns have been conducted in Australia: to improve our understanding of soil moisture remote sensing at large scales over heterogeneous areas. These field data have been used to test and refine retrieval algorithms for soil moisture satellite missions, and most recently with the launch of the European Space Agency's Soil Moisture Ocean Salinity (SMOS) mission, to provide validation measurements over a multi-pixel area. The campaigns to date have included a preparatory campaign in 2005, two National Airborne Field Experiments (NAFE), (2005 and 2006), two campaigns to the Simpson Desert (2008 and 2009), and one Australian Airborne Cal/val Experiment for SMOS (AACES), just concluded in the austral spring of 2010. The primary airborne sensor for each campaign has been the Polarimetric L-band Microwave Radiometer (PLMR), a 6-beam pushbroom imager that is small enough to be compatible with light aircraft, greatly facilitating the execution of the series of campaigns, and a key to their success. An L-band imaging radar is being added to the complement to provide simultaneous active-passive L-band observations, for algorithm development activities in support of NASA's upcoming Soil Moisture Active Passive (.S"M) mission. This paper will describe the campaigns, their objectives, their datasets, and some of the unique advantages of working with small/light sensors and aircraft. We will also review the main scientific findings, including improvements to the SMOS retrieval algorithm enabled by NAFE observations and the evaluation of the Simpson Desert as a calibration target for L-band satellite missions. Plans for upcoming campaigns will also be discussed.

Kim, Edward↗

NASA NTRS2026

Reliability Models and Demonstration of a Fault-Tolerant Motor Concept for Vertical Takeoff and Landing Vehicles

This report documents the completion of the Revolutionary Vertical Lift Technology Project Annual Performance Indicator 24-3.2.4.1: “Apply and document reliability prediction for high reliability motor concept.” Two modeling tools were completed for calculation of reliability of fault-tolerant (FT) motors, and key FT operations of a modular FT motor were demonstrated experimentally. The two models are complementary tools for the stakeholder and user community. Both models employ Markov chain theory. The first model is a time-homogeneous Markov chain model, and the second is a time-inhomogeneous Markov-Weibull model. This report’s main sections are as follows: 1.0 Introduction, 2.0 Theory, 3.0 Motor Reliability Models, 4.0 Validation of FT Operation by Hardware Demonstration, and 5.0 Concluding Remarks. Novel contributions to the field include development of a modular FT motor concept for electrified vertical takeoff and landing (eVTOL) application, solution methods to solve the reliability calculations, development of figures of merit, and the introduction of “linked chains” to formulate a building-block approach for time-inhomogeneous Markov-Weibull modeling of motor reliability. Example case studies have been completed, and results are provided and discussed herein. A four-module FT motor concept was developed to a preliminary-design level of detail. This eVTOL FT motor concept was designed for galvanic, magnetic, and thermal isolation of stator winding faults. The reliability of the concept motor was calculated using a time-inhomogeneous Markov chain model. Employing average failure rate as a metric, 570 times greater reliability was achieved as compared to a baseline motor without fault tolerance. A demonstrator motor was built and tested. The testing demonstrated the key features of FT operation and validated the essential premises of the FT motor concepts presented herein. The experiments included successful demonstration of the feasibility of the following four key FT features: (1) terminal open-circuit operation, (2) thermal isolation after fault, (3) terminal short-circuit operation, and (4) internal short-circuit operation. These works indicate that FT modular motor drives offer promise for addressing the daunting reliability gap that electric aircraft propulsor drives are facing relative to the best conventional motor drive technology that is available today.

Electric Motor↗

NASA NTRS2016

Evaluation of the Validated Soil Moisture Product from the SMAP Radiometer

NASA's Soil Moisture Active Passive (SMAP) mission launched on January 31, 2015 into a sun-synchronous 6 am/6 pm orbit with an objective to produce global mapping of high-resolution soil moisture and freeze-thaw state every 2-3 days using an L-band (active) radar and an L-band (passive) radiometer. The SMAP radiometer began acquiring routine science data on March 31, 2015 and continues to operate nominally. SMAP's radiometer-derived soil moisture product (L2_SM_P) provides soil moisture estimates posted on a 36 km fixed Earth grid using brightness temperature observations from descending (6 am) passes and ancillary data. A beta quality version of L2_SM_P was released to the public in September, 2015, with the fully validated L2_SM_P soil moisture data expected to be released in May, 2016. Additional improvements (including optimization of retrieval algorithm parameters and upscaling approaches) and methodology expansions (including increasing the number of core sites, model-based intercomparisons, and results from several intensive field campaigns) are anticipated in moving from accuracy assessment of the beta quality data to an evaluation of the fully validated L2_SM_P data product.

Ocean Salinity↗

DOE OSTI2026

Toward Trustworthy Autonomous Science: A Two-Year Community Roadmap

One year ago, the AISLE roadmap argued that autonomous laboratories operated as isolated islands and proposed a grassroots network organized around five critical dimensions. The field has since moved faster than that roadmap anticipated: multi-agent systems have produced experimentally validated hypotheses, self-driving laboratories have grown more interoperable and orchestrated, reasoning-trained and domain foundation models have raised the capability ceiling, and the Genesis Mission has placed autonomous experimentation at the center of U.S. federal science strategy, with industry emerging as a primary actor. Progress has met a sobering counter-current, including a corrected flagship discovery result, benchmarks showing that agents which rival experts on closed-ended questions still complete only a fraction of open-ended research, and fabricated citations surfacing at leading venues. We read this as the defining tension of the field: producing a candidate discovery is no longer the hard part, but verifying it is, and this asymmetry now limits autonomous science more than raw model capability. Accordingly, we update the roadmap around seven dimensions, revisiting the original five and elevating two former cross-cutting concerns, trust, verification, and reproducibility, and safety, security, and governance, to first-class status. We assess the original milestones (M1 through M14) as achieved, partially achieved, reframed, or open, add four new milestones (M15 through M18) for the elevated dimensions, and scope the path forward to a two-year horizon, with the first year concentrating on interfaces, protocol adoption, and the scaffolding of verification, and the second targeting federation, zero-trust coordination, and governance. Throughout, we position the grassroots network as the interoperability fabric that lets national programs, international initiatives, and commercial platforms connect rather than re-silo.

99 GENERAL AND MISCELLANEOUS↗

DOE OSTI2024

Uranium measurements in the field using high-resolution cadmium zinc telluride detectors

A new generation of cadmium zinc telluride (CZT) detectors has become available and is being evaluated by the International Atomic Energy Agency (IAEA) for safeguards verifications in the field. The new CZT detector, model M400, is a room temperature spectrometer manufactured by H3D, Inc. The M400 demonstrates superior energy resolution, effective isotope identification capabilities, and convenient usability features when tested in a controlled laboratory environment. These characteristics define the M400 as a potential platform for IAEA field detection applications, which could become suitable for nuclear material characterization (e.g., enrichment verification) and nuclear safeguards missions. The capabilities of gamma spectrometry codes including Fixed energy, Response function Analysis with Multiple efficiencies (FRAM) from Los Alamos National Laboratory, CZT for Uranium (CZTU) from Lawrence Livermore National Laboratory, and Gamma Detector Response and Analysis Software (GADRAS) from Sandia National Laboratories were adapted for M400 spectra, and the performance of the codes has been validated. This was reported in a prior work. To further validate the performance of the high-energy resolution CZT detector and the isotopic analysis codes, a field measurement campaign consisting of uranium hexafluoride (UF 6 ) cylinder measurements was conducted at a fuel fabrication facility. A total of 34 Type 30B cylinders containing UF6 were measured using three different M400 CZT detectors. Each detector was outfitted with a custom rectangular collimator and shield made out T-Flex®, a tungsten-impregnated polymer. Measurements were performed at three different locations of the cylinder, ensuring that the measurement geometry satisfied the infinite thickness criterion. The spectra from the M400 CZT were analyzed using the code General Enrichment Meter (GEM). For analyzing the gamma-ray spectra from UF 6 cylinder, the GEM code is the appropriate tool since it relies only on the gamma-ray emissions from 235 U and not from other isotopes. Results from the spectral analysis were compared with the known abundance of 235 U in the cylinders, as well as with the International Target Values 2020 (ITV2020). The suitability of the different underlying techniques used by the various codes for UF 6 analysis is discussed. The challenges of measuring UF 6 contained in cylinders and mitigation strategies are highlighted.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

NASA NTRS2022

Multiple Scattering Effects of Trees on L-band Microwave Using a Hybrid Method

The multiple scattering of electromagnetic waves in forests is studied using a two-step hybrid method. First, the T-matrix of a single tree is calculated based on its far-field computed with the full-wave simulations of the FEKO software. The T-matrix captures the multiple scattering caused by the tree structure. Second, the the interactions among different trees are considered using the T-matrices of the individual trees and the Foldy-Lax equations. The result of the two-step hybrid method is validated with FEKO by solving scattering from two trees directly. The multiple scattering effects are illustrated by the field solutions.

Yueh, Simon↗

DOE OSTI2025

Predicted thresholds for RMP ELM suppression access in double-null configurations

Modeling of DIII-D plasmas spanning shapes from single to double-null (DN) reveals new insights into the nature of resonant magnetic perturbation (RMP) conditions necessary for edge-localized mode (ELM) suppression. The suppression of ELMs with RMPs has proven difficult in DN configurations, where no device has thus far reported any hints of suppression. Modeling using the GPEC code finds a reduced high-field side response closer to DN shaping. The resulting synthetic diagnostic measurements are consistent with what has been observed in experiments on DIII-D, validating the plasma response model in this regime. While common metrics for suppression do not illustrate a clear distinction between single-null (SN) and DN cases, the pedestal top resonant field does show a ∼20% decrease at DN shaping in modeling. Field penetration is assessed using linear tearing theory, which demonstrates a lack of sufficient pedestal top resonant flux in the DN shape, requiring at least 1.5 × greater RMP coil currents than what was used in experiment. Analysis from drift kinetic simulations further indicate up to 2 × larger critical island widths are required at the pedestal top for tearing mode growth compared to SN cases. Effective island widths inferred from 3D ideal MHD are also analyzed, where maximum widths in lab coordinates indicate a threshold of ∼18–24× the ion gyroradius for sufficient profile flattening for ELM suppression. These results suggest that ELM suppression may be possible in DN with sufficiently large RMP coil amplitude. Future prospects of achieving RMP ELM suppression in the DN configuration may involve going to lower triangularity, which is also highlighted in this work.

RMP ELM suppression↗

DOE OSTI2023

Magnetic frame-dragging correction to the electromagnetic solution of a compact neutron star

ABSTRACT Neutron stars are usually modelled as spherical, rotating perfect conductors with a predominant intrinsic dipolar magnetic field anchored to their stellar crust. Due to their compactness, General Relativity corrections must be accounted for in Maxwell’s equations, leading to modified interior and exterior electromagnetic solutions. We present analytical solutions for slowly rotating magnetized neutron stars, taking into account the magnetic frame-dragging correction. For typical compactness values, i.e. Rs ∼ 0.5 [R*], we show that the new terms lead to a per cent order correction in the magnetic field orientation and strength compared to the case, with no magnetic frame-dragging correction. Also, we obtain a self-consistent redistribution of the surface azimuthal current. We verify the validity of the derived solution through two-dimensional particle-in-cell simulations of an isolated neutron star. Defining the azimuthal electric and magnetic field amplitudes during the transient phase as observables, we prove that the magnetic frame-dragging correction reduces the transient wave amplitude, as expected from the analytical solution. We show that simulations are more accurate and stable, when we include all first-order terms. The increased accuracy at lower spatiotemporal resolutions translates into a reduction in simulation runtimes.

Torres, R. (ORCID:0000000291820228)↗

NASA NTRS2002

Hawaii Ocean Mixing Experiment: Program Summary

It is becoming apparent that insufficient mixing occurs in the pelagic ocean to maintain the large scale thermohaline circulation. Observed mixing rates fall a factor of ten short of classical indices such as Munk's "Abyssal Recipe." The growing suspicion is that most of the mixing in the sea occurs near topography. Exciting recent observations by Polzin et al., among others, fuel this speculation. If topographic mixing is indeed important, it must be acknowledged that its geographic distribution, both laterally and vertically, is presently unknown. The vertical distribution of mixing plays a critical role in the Stommel Arons model of the ocean interior circulation. In recent numerical studies, Samelson demonstrates the extreme sensitivity of flow in the abyssal ocean to the spatial distribution of mixing. We propose to study the topographic mixing problem through an integrated program of modeling and observation. We focus on tidally forced mixing as the global energetics of this process have received (and are receiving) considerable study. Also, the well defined frequency of the forcing and the unique geometry of tidal scattering serve to focus the experiment design. The Hawaiian Ridge is selected as a study site. Strong interaction between the barotropic tide and the Ridge is known to take place. The goals of the Hawaiian Ocean Mixing Experiment (HOME) are to quantify the rate of tidal energy loss to mixing at the Ridge and to identify the mechanisms by which energy is lost and mixing generated. We are challenged to develop a sufficiently comprehensive picture that results can be generalized from Hawaii to the global ocean. To achieve these goals, investigators from five institutions have designed HOME, a program of historic data analysis, modeling and field observation. The Analysis and Modeling efforts support the design of the field experiments. As the program progresses, a global model of the barotropic (depth independent) tide, and two models of the baroclinic (depth varying) tide, all validated with near-Ridge data, will be applied, to reveal the mechanisms of tidal energy conversion along the Ridge, and allow spatial and temporal integration of the rate of conversion. Field experiments include a survey to identify "hot spots" of enhanced mixing and barotropic to baroclinic conversion, a Nearfield study identifying the dominant mechanisms responsible for topographic mixing, and a Farfield program which quantifies the barotropic energy flux convergence at the Ridge and the flux divergence associated with low mode baroclinic waves radiation. The difference is a measure of the tidal power available for mixing at the Ridge. Field work is planned from years 2000 through 2002, with analysis and modeling efforts extending through early 2006. If successful, HOME will yield an understanding of the dominant topographic mixing processes applicable throughout the global ocean. It will advance understanding of two central problems in ocean science, the maintenance of the abyssal stratification, and the dissipation of the tides. HOME data will be used to improve the parameterization of dissipation in models which presently assimilate TOPEX-POSEIDON observations. The improved understanding of the dynamics and spatial distribution of mixing processes will benefit future long-term programs such as CLIVAR.

Ray, Richard D.↗

NASA NTRS2008

Desert Research and Technology Studies (RATS) 2007 Field Campaign Objectives and Results

Desert "RATS" (Research and Technology Studies) is a combined, multi-discipline group of inter-NASA center scientists and engineers, net-working and collaborating with representatives of industry and academia, for the purpose of conducting planetary surface exploration-focused remote field exercises. These integrated testing exercises conducted under representative analog Lunar and Mars surface terrain conditions, provide NASA the capability to validate experimental prototype hardware and software systems as well as to evaluate and develop mission operational techniques in order to identify and establish technical requirements and identify potential technology "gaps" applicable for future planetary human exploration. The 2007 D-RATS field campaign test activities were initiated based on the major themes and objectives of a notional 5-year plan developed for conducting relative analog test activities in support of the engineering evaluation and assessment of various system architectural requirements, conceptual prototype support equipment and selected technologies necessary for the establishment of a lunar outpost. Specifically, the major objectives included measuring task efficiency during robot, human, and human-robot interactive tasks associated with lunar outpost site surveying and reconnaissance activities and deployment of a representative solar panel power and distribution system. In addition, technology demonstrations were conducted with a new Lithium-ion battery and autonomous software to coordinate multiple robot activities. Secondary objectives were evaluating airlock concept mockups and prototype removable space suit over-garment elements for dust mitigation, and upgrades to the prototype extravehicular activities (EVA) communication and information system. Dry run test activities, prior to testing at a designated remote field site location, were initially conducted at the Johnson Space Center (JSC) Remote Field Demonstration Test Site. This is a multi-acre external test site located at JSC and has detailed representative terrain features simulating both Lunar and Mars surface characteristics. Both the local JSC and remote field test sites have terrain conditions that are representative and characteristic of both the Moon and Mars, such as strewn rock and volcanic ash fields, craters, rolling plains, hills, gullies, slopes, and outcrops. The D-RATS 2007 field campaign, representing the completion of its tenth year of analog testing, was conducted at the large Cinder Lake volcanic ash bed area adjacent to Flagstaff, Arizona.

Kosmo, Joseph↗

DOE OSTI2024

Wind Loading on CSP Collectors

The project significantly enhanced the community's understanding of the fundamental physics drivers underlying the wind-loading experienced by concentrating solar power (CSP) collector structures (i.e., parabolic troughs and heliostats) as well as their support structures. This project had two overarching objectives: (1) detailed measurements to characterize the prevailing wind conditions and resulting operational loads on collector structures, and (2) development and validation of a computationally efficient, high-fidelity modeling tool capable of predicting wind-loading in deep-array installations. Over three years, we conducted comprehensive at-scale field measurements of the atmospheric turbulent wind conditions, and the resulting wind loads on parabolic troughs and heliostats. Two at-scale measurement campaigns yielded first-of-its-kind, high-resolution, long-term datasets that are used to characterize the complex flow field and wind loading on parabolic-troughs and heliostats in operational power plants. The high-resolution measurements collected during these campaigns were used to validate the high-fidelity computational models developed at NREL. These open-source computationally efficient models were shown to be accurate in predicting wind-driven loads on collectors without the need for a large supercomputer.

14 SOLAR ENERGY↗

NASA NTRSDate not supplied

Preparations for Quesst Acoustics Validation

- Acoustic Validation Goals & Objectives - Overview and Concept of Operations - New Ground Systems Development - State-of-the sonic boom ground recording system - Unattended recording system trigger - X-59 sonic boom flight path planning tool - Real-time sonic boom prediction display - New Airborne Systems Development - Airborne near field probing system - In-flight, full-scale shockwave imagery systems - Real-time relative position pilot display - Acoustic Validation Test Approach

Larry J. Cliatt, II↗

DOE OSTI2021

On the study of hydrodynamic instabilities in the presence of background magnetic fields in high-energy-density plasmas

Blast-wave-driven hydrodynamic instabilities are studied in the presence of a background B-field through experiments and simulations in the high-energy-density (HED) physics regime. In experiments conducted at the Laboratoire pour l’utilisation des lasers intenses (LULI), a laser-driven shock-tube platform was used to generate a hydrodynamically unstable interface with a prescribed sinusoidal surface perturbation, and short-pulse x-ray radiography was used to characterize the instability growth with and without a 10-T B-field. The LULI experiments were modeled in FLASH using resistive and ideal magnetohydrodynamics (MHD), and comparing the experiments and simulations suggests that the Spitzer model implemented in FLASH is necessary and sufficient for modeling these planar systems. These results suggest insufficient amplification of the seed B-field, due to resistive diffusion, to alter the hydrodynamic behavior. Although the ideal-MHD simulations did not represent the experiments accurately, they suggest that similar HED systems with dynamic plasma-β (=2μ0ρv2/B2) values of less than ∼100 can reduce the growth of blast-wave-driven Rayleigh–Taylor instabilities. These findings validate the resistive-MHD FLASH modeling that is being used to design future experiments for studying B-field effects in HED plasmas.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2023

Virtual sensing of wind turbine hub loads and drivetrain fatigue damage, Virtuelle Sensoren für die Messung von Hauptwellenlasten und Ermüdungsschäden im Antriebstrang von Windenergieanlagen

Abstract: This paper presents a Digital Twin for virtual sensing of wind turbine aerodynamic hub loads, as well as monitoring the accumulated fatigue damage and remaining useful life in drivetrain bearings based on measurements of the Supervisory Control and Data Acquisition (SCADA) and the drivetrain condition monitoring system (CMS). The aerodynamic load estimation is realized with data-driven regression models, while the estimation of local bearing loads and damage is conducted with physics-based, analytical models. Field measurements of the DOE 1.5 research turbine are used for model training and validation. The results show low errors of 6.4% and 1.1% in the predicted damage at the main and the generator side high-speed bearing respectively. Zusammenfassung: In diesem Aufsatz wird ein digitaler Zwilling für Windenergieanlagen vorgestellt, welcher die virtuelle Erfassung der Hauptwellenlasten und die Zustandsüberwachung von Ermüdungschäden und der verbleibende Nutzungsdauer der Antriebsstranglager ermöglicht. Der digital Zwilling nutzt Messdaten des Supervisory Control and Data Acquisition (SCADA) Systems und des Zustandsüberwachungssystems des Antriebsstranges (CMS). Die Berechnung der Hauptwellenlasten ist mit datenbasierten Regressionsmodellen umgesetzt, während die Berechnung der Lagerkräfte und der Ermüdungsschaden mit physikbasierten Modelle durchgeführt wird. Für die Modellentwicklung und -validierung werden Feldmessdaten der DOE 1.5MW Turbine eingesetzt. Die Abweichungen in den Ermüdungsschäden am Hauptwellenlager und am Generatorwellenlager betragen lediglich 6,4% beziehungsweise 1,1%.

17 WIND ENERGY↗

DOE OSTI2023

Insights of Boundary Layer Turbulence Over the Complex Terrain of Central Himalaya from GVAX Field Campaign

Limited observations hinder understanding of turbulent characteristics in mountainous terrain resulting from heating or cooling of slopes, wind, vertical motions, and heat or moisture advection, which disperse aerosols and other pollutants over the region. In this study, the 1290 MHz radar wind profiler data are utilized to compute the boundary layer height (BLH), the refractive index structure constant (C n 2 ), and the energy dissipation rate (ε) over the central Himalayan site for the period of November 2011 to March 2012, from the intense Ganges Valley Aerosol Experiment (GVAX) field measurements. The radar wind profiler (RWP) based estimation of BLH and ε is validated against the radiosonde, representing the effectiveness of the datasets for further investigation. The strong seasonal variation of log C n 2 and log ε, with average values of ≈ -12 m -2/3 and -2 m 2 s -3 , respectively, is associated with the mountain-induced local circulations and stability in the atmospheric boundary layer. The weak stratification during weak flow is found to be responsible for deep mixing, particularly in the nocturnal boundary layer in spring. Furthermore, the level of cloud cover significantly impacts the strength of turbulence, with the highest cloud cover resulting in a substantial increase in log C n 2 (approximately -11 m -2/3 ) due to intense updraft and downdraft motions compared to clear skies. Additionally, the distribution of aerosol loading across the site, coupled with the behavior of BLH, atmospheric stability, and orographic-induced circulations, implies distinctive seasonal mechanisms for transporting aerosols toward the mountains. This study offers valuable insights into the diurnal and seasonal patterns of turbulent mixing and the mechanisms behind the transport of pollutants through boundary layer processes over the region.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2026

Enhanced accuracy through ensembling of randomly initialized auto-regressive models for dynamical systems

Computational mechanics simulations using traditional finite element methods (FEM) require prohibitively expensive computational resources for real-time engineering applications, design optimization, and digital twin implementations. While machine learning (ML) surrogate models offer significant computational speedups, autoregressive ML models for time-dependent mechanical systems suffer from error accumulation that compromises long-term prediction reliability - a critical concern for engineering applications where accuracy over extended time horizons is essential for safety and performance assessments. Here, we propose a deep ensemble framework specifically designed to address this challenge in computational mechanics applications, where multiple ML surrogate models with random weight initializations are trained in parallel and their predictions aggregated during inference. This approach leverages statistical diversity to maximize information gain from a fixed set of training data and to mitigate error propagation, while maintaining the computational efficiency that makes ML surrogates attractive for engineering practice. We validate the framework on three representative problems spanning critical areas of computational mechanics: stress field evolution in heterogeneous microstructures under complex loading (relevant to advanced materials design and composite analysis), planetary-scale shallow water dynamics (applicable to environmental and geotechnical engineering), and Gray-Scott reaction-diffusion systems (relevant to mass transport and chemical process engineering). Across all test cases, the ensemble approach demonstrates consistent error reduction of 15-33% compared to individual models. The codes for this work are available on GitHub (https://github.com/Graham-Brady-Research-Group/AutoregressiveEnsemble_SpatioTemporal_Evolution).

autoregressive prediction↗

DOE OSTI2023

Development, calibration, and validation of a novel gray-box energy model for residential split air conditioners

Energy models for vapor compression refrigeration in residential air conditioners have been developed through white-box, gray-box, and black-box methods in decades. However, existing white-box and gray-box models require complicated equations with detailed geometries while black-box models require substantial experimental data. Further, this paper aims to develop and validate a simple gray-box steady-state energy model without the need for detailed geometries, which can accurately predict the cooling capacity and electrical power input based on outdoor and indoor air conditions, and supply airflow rates. First three state variables, including the evaporation and condensation temperatures, and refrigerant mass flowrate, are applied to develop the energy model and are solved by three physical equations, including the energy conservations at the evaporator and condenser, and the refrigerant volume-mass flow correlation of the compressor. Secondly, seven performance property functions related to three state variables and three physical equations are identified and calibrated by simple temperature and power measurements. Finally, field experiments are conducted on a residential air conditioner to calibrate these performance property functions and validate the developed model. The validated results reveal the model can accurately predict the cooling capacity and electrical power input, with the normalized root mean square errors of 2.3% and 0.87% respectively.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

DOE OSTI2020

Protein Surface Printer for Exploring Protein Domains

The surface of proteins is vital in determining protein functions. Herein, a program, Protein Surface Printer (PSP), is built that performs multiple functions in quantifying protein surface domains. Two proteins, PETase and cytochrome P450, are used to validate that the program supports atomistic simulations with different combinations of programs and force fields. A case study is conducted on the structural analysis of the spike proteins of SARS-CoV-2 and SARS-CoV and the human cell receptor ACE2. Although the surface domains of both spike proteins are highly similar, their receptor-binding domains (RBDs) and the O-linked glycan domains are structurally different. The O-linked glycan domain of SARS-CoV-2 is highly positively charged, which may promote binding to negatively charged human cells.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗