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DOE OSTI2021

SPECs Early-Stage Decision Model: User Manual

The SPECs Early-Stage Decision (ESD) model is central to the SPECs procurement solutions toolkit. The ESD model is an Excel-based spreadsheet model, which provides information about the economic and strategic value of a proposed battery-storage project or solar-plus-storage (solar-plus) project. The model can be used to explore combinations of storage-related project value streams in order to define a potential project, while educating co-op decision-makers about project benefits and costs. A sensitivity analysis function speeds the development of "what-if" scenarios. A gap analysis function solves for top-priority metrics and supports the inclusion of hard-to-monetize strategic values, such as the value of storage to defer costly system upgrades in light of increasing distributed solar and other distributed energy resources (DERs). Model outputs include the utility data, assumptions, and use-case scenarios that are recommended content for the requests for proposals (RFPs). The model may also provide an initial "sanity check" for RFP responses, supporting further discussions among utility staff, vendors and stakeholders. The ESD is not a "finance-grade" modeling tool, and users are cautioned to be mindful of its limitations, but the model has been reviewed by users, who recommend it as a way to drive faster and better project design and planning, as well as to facilitate better communications with vendors, grid partners, and stakeholders.

14 SOLAR ENERGY↗

NASA NTRS1994

The magnetosheath of Neptune: Models and observations

This paper gives a complete overview of the plasma and magnetic field in the magnetosheath of Neptune. A more sophisticated method is used to reanalyze the plasma data. This method provides better values of plasma density, velocity, and temperature in the magnetosheath both inbound and outbound from the planet than published previously. The data are compared to results obtained from a gasdynamic model of low around a planetary magnetosphere. Agreement of theory and data is good for some parameters and poor for others. We show that some discrepancies between the model predictions and observations may be due to changes in the solar wind parameters. The model results and data are used to check the hypothesis that Voyager encountered the high-latitude plasma mantle downstream from Neptune. The deviations of the data from the model results in this region are consistent with those expected for a mantle crossing, with the exception of the plasma temperature which decreases in one crossing and increases in the other. This may indicate that our knowledge of the nature of the mantle-magnetosheath boundary is not complete.

Richardson, John D.↗

DOE OSTI2025

A Bayesian approach to time-domain photonic Doppler velocimetry analysis

Photonic Doppler velocimetry (PDV) is an established technique for measuring the velocities of fast-moving surfaces in high-energy-density experiments. In the standard approach to PDV analysis, the short-time Fourier transform (STFT) is used to generate a spectrogram from which the velocity history of the target is inferred. The user chooses the form, duration, and separation of the window function. Here, in this study, we present a Bayesian approach to infer the velocity directly from the PDV oscilloscope trace, without using the spectrogram for analysis. This is clearly a difficult inference problem due to the highly periodic nature of the data, but we find that with carefully chosen prior distributions for the model parameters, we can accurately recover the injected velocity from synthetic data. We validate this method using PDV data collected at the STAR two-stage light gas gun at Sandia National Laboratories, recovering shock-front velocities in quartz that are consistent with those inferred using the STFT-based approach and are interpolated across regions of low signal-to-noise data. Although this method does not rely on the same user choices as the STFT, we caution that it can be prone to misspecification if the chosen model is not sufficient to capture the velocity behavior. Analysis using posterior predictive checks can be used to establish whether a better model is required, although more complex models come with additional computational cost, often taking more than several hours to converge when sampling the Bayesian posterior. We, therefore, recommend it be viewed as a complementary method to that of the STFT-based approach.

Allison, James R. [First Light Fusion Ltd., Yarnto↗

DOE OSTI2016

In Situ Data Infrastructure for Scientific Unit Testing Platform

Testing is a significant software development process for the management of software systems and scientific code. However, as the complexity of scientific codes increases, extra checks are needed to monitor impacts to dependent models and to verify system constraints. The software complexity also impedes the efforts of module developers and software engineers to rapidly develop and extend their code. Recently, we have developed an automatic methodology and prototype platform to facilitate scientific verification of individual functions within complex scientific codes. With this system, the scientific module builders are able to track variables conveniently in one module or track variables’ changes among different modules. In this paper, we present a procedure for automatic unit testing generation. For the interest of a general audience of this conference, we are emphasizing the technical details of integrating the In Situ data infrastructure into our platform. At the end of this paper, we have included an implementation of unit testing for the ACME Land Model (ALM) to demonstrate the usefulness and correctness of the platform. We have also used single- and multipoint checks to demonstrate the efficient variable tracking capability of this platform.

97 MATHEMATICS AND COMPUTING↗

NASA NTRS2004

Automatic Generation of Algorithms for the Statistical Analysis of Planetary Nebulae Images

Analyzing data sets collected in experiments or by observations is a Core scientific activity. Typically, experimentd and observational data are &aught with uncertainty, and the analysis is based on a statistical model of the conjectured underlying processes, The large data volumes collected by modern instruments make computer support indispensible for this. Consequently, scientists spend significant amounts of their time with the development and refinement of the data analysis programs. AutoBayes [GF+02, FS03] is a fully automatic synthesis system for generating statistical data analysis programs. Externally, it looks like a compiler: it takes an abstract problem specification and translates it into executable code. Its input is a concise description of a data analysis problem in the form of a statistical model as shown in Figure 1; its output is optimized and fully documented C/C++ code which can be linked dynamically into the Matlab and Octave environments. Internally, however, it is quite different: AutoBayes derives a customized algorithm implementing the given model using a schema-based process, and then further refines and optimizes the algorithm into code. A schema is a parameterized code template with associated semantic constraints which define and restrict the template s applicability. The schema parameters are instantiated in a problem-specific way during synthesis as AutoBayes checks the constraints against the original model or, recursively, against emerging sub-problems. AutoBayes schema library contains problem decomposition operators (which are justified by theorems in a formal logic in the domain of Bayesian networks) as well as machine learning algorithms (e.g., EM, k-Means) and nu- meric optimization methods (e.g., Nelder-Mead simplex, conjugate gradient). AutoBayes augments this schema-based approach by symbolic computation to derive closed-form solutions whenever possible. This is a major advantage over other statistical data analysis systems which use numerical approximations even in cases where closed-form solutions exist. AutoBayes is implemented in Prolog and comprises approximately 75.000 lines of code. In this paper, we take one typical scientific data analysis problem-analyzing planetary nebulae images taken by the Hubble Space Telescope-and show how AutoBayes can be used to automate the implementation of the necessary anal- ysis programs. We initially follow the analysis described by Knuth and Hajian [KHO2] and use AutoBayes to derive code for the published models. We show the details of the code derivation process, including the symbolic computations and automatic integration of library procedures, and compare the results of the automatically generated and manually implemented code. We then go beyond the original analysis and use AutoBayes to derive code for a simple image segmentation procedure based on a mixture model which can be used to automate a manual preproceesing step. Finally, we combine the original approach with the simple segmentation which yields a more detailed analysis. This also demonstrates that AutoBayes makes it easy to combine different aspects of data analysis.

Fischer, Bernd↗

NASA NTRS2007

Angle Measurement System (AMS) for Establishing Model Pitch and Roll Zero, and Performing Single Axis Angle Comparisons

The angle measurement system (AMS) developed at NASA Langley Research Center (LaRC) is a system for many uses. It was originally developed to check taper fits in the wind tunnel model support system. The system was further developed to measure simultaneous pitch and roll angles using 3 orthogonally mounted accelerometers (3-axis). This 3-axis arrangement is used as a transfer standard from the calibration standard to the wind tunnel facility. It is generally used to establish model pitch and roll zero and performs the in-situ calibration on model attitude devices. The AMS originally used a laptop computer running DOS based software but has recently been upgraded to operate in a windows environment. Other improvements have also been made to the software to enhance its accuracy and add features. This paper will discuss the accuracy and calibration methodologies used in this system and some of the features that have contributed to its popularity.

Crawford, Bradley L.↗

DOE OSTI2020

Activity Characterization for Modeling Behavioral-driven Human Mobility in Platial Networks

The population is increasingly becoming tractable as more and more people carry handheld devices as part of their everyday activities. Recent studies have shown that handheld devices' generated traffic share is now more than 50% of total global online traffic. This has created an unprecedented opportunity for modeling human mobility behavior. For example, aggregate check-ins and dwell time can reveal building level occupancies. However, there are clear limits to accurate modeling (e.g. reproducible, repeatable, and realistic), unless we decipher the underlying reason causing typical mobility patterns. We know that human behavior is a reflection of a set of activities, such as going to the gym or work, and which can be seen as a catalyst for humans to move from one location to another. This work envisions the use of activity characterization for modeling human mobility by introducing a context that maps activities to certain mobility patterns. In the end, we highlight the efficacy of the proposed approach by analyzing the impact of public policies surrounding stay at home order on human mobility.

Thakur, Gautam Malviya↗

NASA NTRS1993

Modelling early failures in Space Station Freedom

A major problem encountered in planning for Space Station Freedom is the amount of maintenance that will be required. To predict the failure rates of components and systems aboard Space Station Freedom, the logical approach is to use data obtained from previously flown spacecraft. In order to determine the mechanisms that are driving the failures, models can be proposed, and then checked to see if they adequately fit the observed failure data obtained from a large variety of satellites. For this particular study, failure data and truncation times were available for satellites launched between 1976 and 1984; no data past 1984 was available. The study was limited to electrical subsystems and assemblies, which were studied to determine if they followed a model resulting from a mixture of exponential distributions.

Navard, Sharon E.↗

DOE OSTI2016

MO-FG-CAMPUS-TeP1-03: Pre-Treatment Surface Imaging Based Collision Detection

Purpose: Modern radiotherapy increasingly employs large immobilization devices, gantry attachments, and couch rotations for treatments. All of which raise the risk of collisions between the patient and the gantry / couch. Collision detection is often achieved by manually checking each couch position in the treatment room and sometimes results in extraneous imaging if collisions are detected after image based setup has begun. In the interest of improving efficiency and avoiding extra imaging, we explore the use of a surface imaging based collision detection model. Methods: Surfaces acquired from AlignRT (VisionRT, London, UK) were transferred in wavefront format to a custom Matlab (Mathworks, Natick, MA) software package (CCHECK). Computed tomography (CT) scans acquired at the same time were sent to CCHECK in DICOM format. In CCHECK, binary maps of the surfaces were created and overlaid on the CT images based on the fixed relationship of the AlignRT and CT coordinate systems. Isocenters were added through a graphical user interface (GUI). CCHECK then compares the inputted surfaces to a model of the linear accelerator (linac) to check for collisions at defined gantry and couch positions. Note, CCHECK may be used with or without a CT. Results: The nominal surface image field of view is 650 mm × 900 mm, with variance based on patient position and size. The accuracy of collision detections is primarily based on the linac model and the surface mapping process. The current linac model and mapping process yield detection accuracies on the order of 5 mm, assuming no change in patient posture between surface acquisition and treatment. Conclusions: CCHECK provides a non-ionizing method to check for collisions without the patient in the treatment room. Collision detection accuracy may be improved with more robust linac modeling. Additional gantry attachments (e.g. conical collimators) can be easily added to the model.

60 APPLIED LIFE SCIENCES↗

NASA NTRS1986

Mutual coupling effects in antenna arrays, volume 1

Mutual coupling between rectangular apertures in a finite antenna array, in an infinite ground plane, is analyzed using the vector potential approach. The method of moments is used to solve the equations that result from setting the tangential magnetic fields across each aperture equal. The approximation uses a set of vector potential model functions to solve for equivalent magnetic currents. A computer program was written to carry out this analysis and the resulting currents were used to determine the co- and cross-polarized far zone radiation patterns. Numerical results for various arrays using several modes in the approximation are presented. Results for one and two aperture arrays are compared against published data to check on the agreement of this model with previous work. Computer derived results are also compared against experimental results to test the accuracy of the model. These tests of the accuracy of the program showed that it yields valid data.

Collin, R. E.↗

DOE OSTI2020

Crossing symmetry, transcendentality and the Regge behaviour of 1d CFTs

We develop the technology for Polyakov-Mellin (PM) bootstrap in one- dimensional conformal field theories (CFT 1 ). By adding appropriate contact terms, we bootstrap various effective field theories in AdS 2 and analytically compute the CFT data to one loop. The computation can be extended to higher orders in perturbation theory, if we ignore mixing, for any external dimension. We develop PM bootstrap for O(N) theories and derive the necessary contact terms for such theories (which also involves a new higher gradient contact term absent for N = 1). We perform cross-checks which include considering the diagonal limit of the 2d Ising model in terms of the 1d PM blocks. As an independent check of the validity of the results obtained with PM bootstrap, we propose a suitable basis of transcendental functions, which allows to fix the four-point correlators of identical scalar primaries completely, up to a finite number of ambiguities related to the number of contact terms in the PM basis. We perform this analysis both at tree level (with and without exchanges) and at one loop. We also derive expressions for the corresponding CFT data in terms of harmonic sums. Finally, we consider the Regge limit of one-dimensional correlators and derive a precise connection between the latter and the large-twist limit of CFT data. Exploiting this result, we study the crossing equation in the three OPE limits and derive some universal constraints for the large-twist limit of CFT data in Regge-bounded theories with a finite number of exchanges.

1/N expansion↗

DOE OSTI2016

Implementation of a Portable HPGe for Field Contamination Assay

In this work, using MCNP to construct a detector model based initially on x-ray images of a portable high purity germanium (HPGe) detector followed by normalizing covering material values to also agree with check source responses, a validation of the model was attained. By calibrating the detector parameters using large count spectra, rigorous reproducibility is attained for high activity measurements but does not prevent deviations from normality in error distributions at the very low count events where spectral peaks are not always identifiable. The resulting model was created to allow operational assay of contamination over large areal distributions that could not otherwise be measured, such as the exhaust shaft at the Waste Isolation Pilot Plant (WIPP). Results indicate that contamination levels of activity in the exhaust shaft can be assayed to within a factor of 2. Lastly, detection limits are evaluated to be well below the contamination levels, which would constitute a legal environmental release if unfiltered ventilation of the underground facility were used.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

DOE OSTI2014

Modeling Results For the ITER Cryogenic Fore Pump (Final Report)

A numerical model characterizing the operation of a cryogenic fore-pump (CFP) for ITER has been developed at the University of Wisconsin – Madison during the period from March 15, 2011 through June 30, 2014. The purpose of the ITER-CFP is to separate hydrogen isotopes from helium gas, both making up the exhaust components from the ITER reactor. The model explicitly determines the amount of hydrogen that is captured by the supercritical-helium-cooled pump as a function of the inlet temperature of the supercritical helium, its flow rate, and the inlet conditions of the hydrogen gas flow. Furthermore the model computes the location and amount of hydrogen captured in the pump as a function of time. Throughout the model’s development, and as a calibration check for its results, it has been extensively compared with the measurements of a CFP prototype tested at Oak Ridge National Lab. The results of the model demonstrate that the quantity of captured hydrogen is very sensitive to the inlet temperature of the helium coolant on the outside of the cryopump. Furthermore, the model can be utilized to refine those tests, and suggests methods that could be incorporated in the testing to enhance the usefulness of the measured data.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2022

Broadband impedance modeling and single bunch instabilities estimations of the advanced light source upgrade project

We report the Advanced Light Source Upgrade (ALS-U) is a 4th generation diffraction-limited soft x-ray radiation source, consisting of a new accumulator ring (AR) and a new storage ring (SR). In both rings coupling-impedance driven instabilities need careful evaluation to ensure meeting the machine’s high-performance goals. This paper presents the workflow followed in building the impedance models and the beam-stability analysis based on those models. We follow the commonly accepted approach of separating the resistive-wall and the geometric parts of the impedance; the former is obtained by analytical formulas, the latter by numerical electro-magnetic codes (primarily CST Studio software) with perfectly-conducting boundary conditions. Impedance budgets are established and pseudo-Green functions calculated to be used in beam dynamics studies. We also present various ways to cross-check simulation results for reliable impedance modeling. Finally, the crucial single-bunch instability current thresholds for various operation modes are determined and discussed.

07 ISOTOPE AND RADIATION SOURCES↗

NASA NTRS2012

Experimental Behavior of Sulfur Under Primitive Planetary Differentiation Processes, the Sulfide Formations in Enstatite Meteorites and Implications for Mercury.

Enstatite meteorites are the most reduced naturally-occuring materials of the solar system. The cubic monosulfide series with the general formula (Mg,Mn,Ca,Fe)S are common phases in these meteorite groups. The importance of such minerals, their formation, composition and textural relationships for understanding the genesis of enstatite chondrites (EC) and aubrites, has long been recognized (e.g. [1]). However, the mechanisms of formation of these sulfides is still not well constrained certainly because of possible multiple ways to produce them. We propose to simulate different models of formation in order to check their mineralogical, chemical and textural relevancies. The solubility of sulfur in silicate melts is of primary interest for planetary mantles, particularly for the Earth and Mercury. Indeed, these two planets could have formed, at least partly, from EC materials (e.g. [2, 3, 4]). The sulfur content in silicate melts depends on the melt composition but also on pressure (P), temperature (T) and oxygen fugacity fO2. Unfortunately, there is no model of general validity in a wide range of P-T-fO2-composition which describes precisely the evolution of sulfur content in silicate melts, even if the main trends are now known. The second goal of this study is to constrain the sulfur content in silicate melts under reducing conditions and different temperatures.

Malavergne, V.↗

DOE OSTI2015

Reexamination of the evidence for entanglement in a quantum annealer

A recent experiment claimed to provide evidence of up to eight-qubit entanglement in a D-Wave quantum annealing device. However, entanglement was measured using qubit tunneling spectroscopy, a technique that provides indirect access to the state of the system at intermediate times during the anneal by performing measurements at the end of the anneal with a probe qubit. In addition, an underlying assumption was that the quantum transverse-field Ising Hamiltonian, whose ground states are already highly entangled, is an appropriate model of the device and not some other (possibly classical) model. This begs the question of whether alternative classical or semiclassical models would be equally effective at predicting the observed spectrum and thermal state populations. To check this, we consider a recently proposed classical rotor model with classical Monte Carlo updates, which has been successfully employed in describing features of earlier experiments involving the device. Further, we consider simulated quantum annealing with quantum Monte Carlo updates, an algorithm that samples from the instantaneous Gibbs state of the device Hamiltonian. Finally, we use the quantum adiabatic master equation, which cannot be efficiently simulated classically and which has previously been used to successfully capture the open-system quantum dynamics of the device. We find that only the master equation is able to reproduce the features of the tunneling spectroscopy experiment, while both the classical rotor model and simulated quantum annealing fail to reproduce the experimental results. We argue that this bolsters the evidence for the reported entanglement.

74 ATOMIC AND MOLECULAR PHYSICS↗

DOE OSTI2015

Use of Combined Biogeochemical Model Approaches and Empirical Data to Assess Critical Loads of Nitrogen

Empirical and dynamic biogeochemical modelling are complementary approaches for determining the critical load (CL) of atmospheric nitrogen (N) or other constituent deposition that an ecosystem can tolerate without causing ecological harm. The greatest benefits are obtained when these approaches are used in combination. Confounding environmental factors can complicate the determination of empirical CLs across depositional gradients, while the experimental application of N amendments for estimating the CL does not realistically mimic the effects of chronic atmospheric N deposition. Biogeochemical and vegetation simulation models can provide CL estimates and valuable ecosystem response information, allowing for past and future scenario testing with various combinations of environmental factors, pollutants, pollutant control options, land management, and ecosystem response parameters. Even so, models are fundamentally gross simplifications of the real ecosystems they attempt to simulate. Empirical approaches are vital as a check on simulations and CL estimates, to parameterize models, and to elucidate mechanisms and responses under real world conditions. In this chapter, we provide examples of empirical and modelled N CL approaches in ecosystems from three regions of the United States: mixed conifer forest, desert scrub and pinyon- juniper woodland in California; alpine catchments in the Rocky Mountains; and lakes in the Adirondack region of New York state.

Fenn, Mark E.↗

NASA NTRS1982

Application of the regular associated solution model to the Cd-Te and Hg-Te binary systems

The regular associated solution model is used to treat the phase diagrams of the binary II-VI semiconductor alloy systems Hg-Te and Cd-Te. The equations for the species activity coefficients are used without approximations regarding the magnitudes of the various binary interchange energies or the functional dependence on component mol fraction. The values of the four-adjustable parameters required for description of each system are fixed by fitting liquidus data, and the resulting activity coefficients are used to calculate component partial pressures, which are compared with experimental values as an indpendent check of the validity of the model. The results show that the regular associated solution model provides a usefully accurate, but not complete, description for both the Hg-Te and Cd-Te systems. The relationship of this work to previous investigations is discussed.

Kelley, J. D.↗