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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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124 records · Page 7
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

High-Level Synthesis of Parallel Specifications Coupling Static and Dynamic Controllers

The increased need for efficient ways to implement domain-specific accelerators is driving design methodologies towards the use of abstractions higher than the Register Transfer Level (RTL). In this scenario, High Level Synthesis (HLS) plays a significant role by enabling the automatic generation of custom hardware accelerators starting from high level descriptions (e.g., C code). Conventional HLS tools exploit parallelism mostly at the Instruction Level (ILP). They statically schedule the input specifications, and build centralized Finite State Machine (FSM) controllers. However, aggressive exploitation of ILP in many applications has diminishing returns and, usually, centralized approaches do not efficiently exploit coarser parallelism because FSMs are inherently serial. In this paper we present a HLS framework able to synthesize applications that, beside ILP, also expose Task Level Parallelism (TLP). An application can expose TLP through annotations that identify the parallel functions (i.e., tasks). To generate accelerators that efficiently execute concur- rent tasks, we need to solve several issues: devise a mechanism to support concurrent execution flows, exploit memory parallelism, and manage synchronization. To support concurrent execution flows, we introduce a novel adaptive controller. The adaptive controller is composed of a set of interacting control elements that independently manage the execution of a single operation or function call. These control elements check dependencies and resource constraints at runtime, enabling as soon as possible execution. To support parallel access to shared memories and synchronization, we introduce a novel Hierarchical Memory Interface (HMI). With respect to previous solutions, the proposed interface supports multi-ported memories and atomic memory operations, which commonly occur in parallel programming. Our framework can generate the hardware implementation of C functions by employing two different approaches, depending on its characteristics. If a function exposes TLP, then the framework generates hardware implementations based on the adaptive controller. Otherwise, the framework implements the function by exploiting a more conventional FSM approach, which is optimized for ILP exploitation. We evaluate our framework on a set of parallel applications, and show substantial performance improvements (average speedup of 4.7) with limited area over- heads (average area increase of 5.48 times).

Castellana, Vito G.↗
DOE OSTI2025

The HalfDome multi-survey cosmological simulations: N-body simulations

Upcoming cosmological surveys have the potential to reach groundbreaking discoveries on multiple fronts, including the neutrino mass, dark energy, and inflation. Most of the key science goals require the joint analysis of datasets from multiple surveys to break parameter degeneracies and calibrate systematics. To realize such analyses, a large set of mock simulations that realistically model correlated observables is required. In this paper we present the N-body component of the HalfDome cosmological simulations, designed for the joint analysis of Stage-IV cosmological surveys, such as Rubin LSST, Euclid, SPHEREx, Roman, DESI, PFS, Simons Observatory, CMB-S4, and LiteBIRD. Our 300TB initial data release includes full-sky lightcones and halo catalogs between z = 0–4 for 11 fixed cosmology realizations, as well as an additional run with local primordial non-Gaussianity (f NL = 20). The simulations evolve 61443 particles in a 3.75 h -1 Gpc box, reaching a minimum halo mass of ∼6 × 1012 h -1 M ⊙ and maximum scale of k ∼ h Mpc-1. Our data is publicly available: instructions to access the data and plans for future data releases can be found at https://halfdomesims.github.io.

Bayer, Adrian E↗
DOE OSTI2020

Effect of Al substitution on the magnetocaloric properties of Ni-Co-Mn-Sn multifunctional alloys

Ni-Mn-based metamagnetic shape memory alloys have been extensively studied due to their multifunctional properties including magnetocaloric effect (MCE), magnetoresistance effect, and magnetic-field-induced strain. However, the large intrinsic thermal hysteresis of these alloys sets a limit on further development for practical applications. Here, with a few atomic percent Al substitution, we greatly reduced the thermal hysteresis and transformation temperature interval while maintaining the large magnetization difference (ΔM) between austenite and martensite. The simultaneous achievement of a large ΔM and low thermal hysteresis leads to a remarkable enhancement in MCE upon Al substitution, and a maximum magnetic entropy change of 31.6 J/kg K is achieved under a field of 5 T in Ni 39 Co 11 Mn 40 Sn 8 Al 2 . Furthermore, our in situ high-energy X-ray diffraction experiments show that the Ni 39 Co 11 Mn 40 Sn 8 Al 2 has good geometric compatibility between austenite and martensite, which accounts for the reduced thermal hysteresis in this alloy. This study is instructive for the development of high-performance magnetocaloric materials in the metamagnetic shape memory alloys.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Raman spectroscopy coupled with ambient ionization mass spectrometry: A forensic laboratory investigation into rapid and simple dual instrumental analysis techniques

We present a laboratory experiment, developed around a pair of instrumental analysis techniques, Raman spectroscopy and ambient ionization mass spectrometry (MS), conducted by senior chemistry undergraduate students for bulk analysis of over-the-counter drugs using benchtop versions of the two instruments, as well as trace analysis of illicit drugs utilizing the corresponding portable instruments. The identification and confirmation of seized drugs is a routine operation in forensic laboratories that can be simplified using these two instrumental techniques in tandem. Bulk samples are readily analyzed using conventional Raman spectroscopy followed by paper cone spray ionization (PCSI) MS, while trace analysis is allowed by a simple single-substrate dual-analyzer method using surface enhanced Raman spectroscopy (SERS) from paper followed by paper spray ionization (PSI) MS. The introduction of these novel strategies to the students exposed them to potential career paths in forensic science by means of a hands-on experience that provided fundamental knowledge about this set of analytical methods, including intercomparisons of their performance, as well as practical issues like costs, regulations and databases. The use of portable instrumentation represents an additional learning experience for the students, considering that it is cutting-edge technology that is just now being transferred from academic to industrial labs and that it allows a valuable discussion of the advantages and disadvantages of bringing the laboratory to the field.

47 OTHER INSTRUMENTATION↗
DOE OSTI2023

An automated and portable method for selecting an optimal GPU frequency

Power consumption poses a significant challenge in current and emerging graphics processing unit (GPU) enabled high-performance computing systems. In modern GPUs, dynamic voltage frequency scaling (DVFS) appears to be a reliable control to regulate power consumption and performance. However, the DVFS design space is large - hence, brute-force approaches are infeasible to select the optimal frequency. Furthermore, no single frequency can be universally optimal for applications with varying computational intensities. Thus, the application's complexity and the availability of a wide range of frequency settings are a challenge in selecting the optimal frequency configuration for a given GPU workload. To that end, this paper proposes a systematic approach that consists of three steps. The feature characterization study identifies the fine-grain GPU utilization metrics that influence the power consumption and execution time of a given workload. To understand the performance, power, and energy consumption behaviors of a workload across GPU's DVFS design space, we derived analytical power and performance models using the identified fine-grain features. Here, it is shown that the same set of GPU utilization metrics can estimate both the power consumption and execution time while being agnostic of changes to frequency and input sizes. Applying a power control with the single objective of reducing power may cause performance degradation, leading to more energy consumption. A multi-objective approach is proposed to select the optimal GPU DVFS configuration for a workload that reduces power consumption with negligible degradation in performance. The evaluation was conducted using SPEC ACCEL benchmarks and three real applications - NAMD LAMMPS, and LSTM on NVIDIA GV100, GA100, and AMD MI210 GPUs. On average, real applications showed 29.6% energy savings with a performance loss of 5.2% on GA100 and 22.6% energy savings with a performance loss of 4.7% on GV100. Moreover, the proposed models are portable to real applications, GPU architectures, and vendors, and require metric collection at only the default frequency rather than all supported DVFS configurations. Additionally, we conducted a comparison between our models and the GPU assembly instructions (PTX)-based static models. The results revealed a significant reduction in the average error rates, with a decrease from 19.7% to 3.1% for power models and from 29.4% to 5.2% for performance models.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2021

MACCS (MELCOR Accident Consequence Code System) User Guide

The MELCOR Accident Consequence Code System (MACCS) is used by Nuclear Regulatory Commission (NRC) and various national and international organizations for probabilistic consequence analysis of nuclear power accidents. This User Guide is intended to assist analysts in understanding the MACCS/WinMACCS model and to provide information regarding the code. This user guide version describes MACCS Version 3.10.0. Features that have been added to MACCS in subsequent versions are described in separate documentation. This User Guide provides a brief description of the model history, explains how to set up and execute a problem, and informs the user of the definition of various input parameters and any constraints placed on those parameters. This report is part of a series of reports documenting MACCS. Other reports include the MACCS Theory Manual, MACCS Verification Report, Technical Bases for Consequence Analyses Using MACCS, as well as documentation for preprocessor codes including SecPop, MelMACCS, and COMIDA2. PAPERWORK REDUCTION ACT STATEMENT The NUREG does not contain information collection requirements and, therefore, is not subject to the requirements of the Paperwork Reduction Act of 1995 (44 USC 3501, et seq.). PUBLIC PROTECTION NOTIFICATION The NRC may not conduct or sponsor, and a person is not required to respond to, a request for information or an information collection requirement unless the requesting document displays a currently valid OMB control number. ACKNOWLEDGEMENTS Contributions to this User Guide were received from NRC and Sandia National Laboratories (SNL) project managers, technical experts, and code authors dedicated to the production of a valuable resource for the MACCS user community. Instructions and guidance included herein were developed over many years and include advancements in the code that provide users the ability to develop complex consequence modeling scenarios. WinMACCS and many of the early MACCS developments were due to vision of an earlier Project Manager, Jocelyn Mitchell. Jonathan Barr and AJ Nosek also contributed to the development of this report. The current NRC Project Manager, Salman Haq, provided the leadership to ensure this document was completed. Several other NRC and Sandia staff provided insights supporting development of the MACCS code and of this document.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗
DOE OSTI2026

2005 Tahoe Regional Household Travel Survey

The 2005 Tahoe Regional Household Travel Survey is a comprehensive survey of the travel patterns of households in the Tahoe Basin region of California and Nevada. The survey was conducted for the Tahoe Regional Planning Agency over a four-month period, from June through September 2005. This collection contains two sets of travel data: 1) a survey of 1,220 permanent households within the Tahoe Basin region and 2) a subset survey of 125 seasonal households within the same area. The permanent resident dataset contains information about 2,732 household members, 2,471 vehicles, and 11,048 trips made during a 24-hour period. The seasonal resident subset features 726 trip observations and information about 229 household members and 185 vehicles. The survey relied on the willingness of study area residents to 1) provide demographic information about their household, its members, and its vehicles and 2) document all travel for each household member, regardless of age, over an assigned 24-hour period. During the recruitment phase, respondents were asked to provide detailed household information, including permanent or seasonal resident status, number of household occupants, type of dwelling unit, number of vehicles available to household members, as well as the year, body type, and fuel type of each vehicle. Survey participants received mailed travel logs to aid in documenting travel information for the 24-hour assessment period. Respondents were instructed to record their mode of transportation, trip purpose, number of passengers, departure and arrival times, activities at each trip destination, ride fare, and parking costs. Demographic information for this study includes age, gender, income, education, and employment status.

1Hz data↗
DOE OSTI2023

A Case Study of Tunable White LED Lighting with Networked Lighting Controls (Emory University Cognitive Empowerment Program)

Emory University and Georgia Institute of Technology (Georgia Tech) partnered to create the Charlie and Harriet Schaffer Cognitive Empowerment Program (CEP) facility in northeast Atlanta. Together with the funders they are building a program to help individuals experiencing mild cognitive impairment (MCI) to maintain their physical and cognitive health, and independence as long as possible. In addition to applying effective strategies and therapies, the two research groups are investigating the responses of the MCI members to treatments that involve acoustical conditions, exercise and movement, and lighting changes that may support retention or relearning of skills. Care partners and family members receive support and instruction to improve home and work life, promoting joy, purpose, and wellness in the family groups. The lighting system uses tunable-white LEDs, employing luminaires with both warm and cool-color emitters that can be dimmed separately to produce any white correlated color temperature (CCT) between 2700 K and 6500 K. All luminaires were dimmable to achieve subdued or lively surroundings for different treatments, time-of-day, and mood. A central networked digital control system was employed to allow tuning of multiple spaces together (for example, bright, cool morning light could be programmed for extra stimulation, or lighting in all spaces at the end of the day could be reduced in both light output and CCT to promote relaxation and not interfere with the melatonin cycle of occupants). Almost all spaces were equipped with individual room control of dimming and color temperature with touch screens to allow users to tune the lighting as desired, but each room’s controls could also be specially programmed through the server in case the research staff were investigating lighting settings on learning, for example. The server incorporates a timeclock, and it is able to send signals to switch off all lighting after occupancy hours, or enable occupancy sensors to control the lighting. The bulk of the construction work was completed in January 2020. It was clear from an initial walk-through that although the lighting system produced the expected high light level with low-glare qualities of light, that there were issues and inconsistencies to be resolved. These were noted in an initial punchlist visit and expected to be resolved when the tech representatives from the agency visited with the electrical contractor in the following few weeks. What followed was 2.5 years of identifying unexpected lighting performance in terms of light output, color, scheduling, and occupancy. This report documents the issues encountered in the effort to get the lighting and controls systems to operate as intended. It concludes with guidance for design professionals and manufacturers to help avoid problematic complexity in future projects.

42 ENGINEERING↗
DOE OSTI2026

Sensitivity Analysis of Drivers Water Shortage in the Los Angeles Region During Drought

The code and detailed step-by-step instructions for generating the model output data, processing results, and analysis and plotting are provided at https://github.com/IMMM-SFA/Ferencz_et_al_2026_ER_Water. The PyArtes model is a python adaptation of the Artes model. PyArtes uses many of the same input data and optimization model architecture as Artes. Documentation for the PyArtes model is provided in the Supplement to the paper. The primary data product are simulated monthly water shortages for indoor and outdoor demand under a large ensemble of drought scenarios (>13,000). The droughts are hypothetical and are not based on historical time series data of supply sources - though historical data did help inform ranges explored for supply parameters. Demands are informed by recent 2017-2021 water supply data. Demands used for the model can be accessed at https://github.com/IMMM-SFA/Ferencz_et_al_2026_ER_Water. Simulations resolve demand for over 90 water providers in the study region. The results report 36 months of water shortage data for each indoor and outdoor demand node. The study also developed a multilayer perceptron (MLP) neural network trained on a subset of the simulated shortage ensemble to emulate worst annual water shortage for a given set of parameter multipliers -- provided the parameter values fall within the ranges sampled in the ensemble. Emulated water shortages for synthetic ensembles are in the MLP-generated shortages folder. The MLP model was used to generate larger ensembles to support Sobol analysis that would have been extremely computationally expensive to simulate. Datasets provided in this repository*: Simulated shortages. These results are used for the analysis for Figures 5, 8, and 9 in the paper, and also to train the MLP emulator. .zip file containing outputs for the 13,312 scenario ensemble. Separate .csv files for indoor and outdoor shortage for each scenario. Rows = demand ids (~100), Columns = months (36) Units = acre-feet/month of shortage (shortage = monthly demand - supply). 1 acft = 1233.48 m^3 .csv files of aggregated shortages derived from the 13,312 ensemble Rows = scenarios (13,312), Columns = demand ids (~100) Units = acre-feet/year (either worst annual shortage or total shortage over the 3-year drought) .csv file of the parameter multipliers scenarios for the ensemble .csv file of the parameter ranges and baseline values the multipliers were applied to MLP-generated shortages. These results are used for Figures 4, 6, and 7 in the paper. mwd higher folder: scenario ensembles, emulated worst year total shortages (acft), and Sobol results Emulated shortages. Rows = scenarios, columns = demand ids, units acft Sobol results. Rows = demand ids, columns Sobol (S1, ST, or 95% confidence interval) value for each parameter mwd lower folder: scenario ensembles, emulated worst year total shortages (acft), and Sobol results same organization as mwd higher MLP performance: performance metrics (R^2, RMSE, BIAS, MAPE) for the testing subset (20% or 2,662 scenarios) and simulated vs emulated worst year shortage (acre-feet/year) for every demand node, MWD wholesale regions, and the entire study region (LAC). Supporting data for figures. Figure plotting scripts in the associated GitHub repo. These files support analysis and visualization. Geospatial Data used for plotting simulated water shortages and Sobol results. Dictionary of full names for demand nodes in the model and estimates of water supply by source type informed by Artes input files and California Urban Water Management Planning data: https://water.ca.gov/Programs/Water-Use-And-Efficiency/Urban-Water-Use-Efficiency/Urban-Water-Management-Plans *Readme files provided for each folder.

drought↗
DOE OSTI2022

NRAP-Open-IAM: NRAP Open Source Integrated Assessment Model

Note: This is the last version (a2.6.1) of NRAP-Open-IAM released during NRAP Phase II in 2022. The latest version of NRAP-Open-IAM is available here: https://edx.netl.doe.gov/dataset/phase-iii-nrap-open-iam NRAP-Open-IAM is an open-source software product that enables quantification of containment effectiveness and leakage risk at storage sites in the context of system uncertainties and variability. NRAP-Open-IAM represents the next-generation in a line of systems-based computational models developed for quantitative geological carbon storage (GCS) risk assessment. The model comprises a set of reduced-order and analytical models of various components of the GCS system, potential leakage pathways, receptors of concern including impact to groundwater resources and the atmosphere, a framework to support stochastic simulation, time stepping, uncertainty quantification, other analytical functionality for scenario and risk-performance evaluation, and a basic graphical user interface to support scenario development, data input simulation definition, and basic post-processing and results display. As the NRAP Open-IAM functionality continues to evolve, we continue to add to its capability to develop quantitative, probabilistic, and time-dependent profiles of the evolution of risk at a GCS site and evaluate the influence of uncertain parameters on uncertainty in predicted risk. It can be used to quantify the dynamics of reservoir saturation plume and pressure-affected area, for evaluation of the area of potential groundwater impact (i.e., Area of Review) and monitoring requirements to support cost and regulatory analysis, and for consideration of different post-injection site care and closure scenarios. This submission contains the current version of NRAP-Open-IAM available for evaluation and testing. To use the NRAP-Open-IAM, download the source code (https://edx.netl.doe.gov/dataset/08f396c8-bc5f-44ad-a028-6e98a6ea6d70/resource/4c24a3da-3b40-4ffe-9892-c807ae9f8760) then open the NRAP-Open-IAM user's guide (https://edx.netl.doe.gov/dataset/08f396c8-bc5f-44ad-a028-6e98a6ea6d70/resource/8b27335a-343c-4836-b8a3-3ad0bdc9e669) to read more about the tool. Installation instructions for Windows, Mac, and Linux can be found in the "installers" folder of the extracted NRAP-Open-IAM folder and describe setup of environment (e.g., Python libraries) needed for proper work of the tool. Test of installation can be done by running "python openiam_setup_tests.py" in the "setup" folder. The installation test also runs a test suite to see if the NRAP-Open-IAM has been installed correctly. To run the test suite separately, run "python iam_test.py" in the "test" folder. User's guide: https://edx.netl.doe.gov/dataset/08f396c8-bc5f-44ad-a028-6e98a6ea6d70/resource/8b27335a-343c-4836-b8a3-3ad0bdc9e669 Developer's guide: https://edx.netl.doe.gov/dataset/08f396c8-bc5f-44ad-a028-6e98a6ea6d70/resource/3bc6ee7d-609d-4eb6-80ba-fa6130ee0313 Reservoir simulation data used in some examples distributed with NRAP-Open-IAM: - Kimberlina: https://edx.netl.doe.gov/dataset/08f396c8-bc5f-44ad-a028-6e98a6ea6d70/resource/eb62cece-61b2-4037-9b6d-32407dde2ab8 - Kimberlina (compartmentalized): https://edx.netl.doe.gov/dataset/08f396c8-bc5f-44ad-a028-6e98a6ea6d70/resource/366f9530-3b32-4b84-affe-ab2df1d9a8b5 - FutureGen 2.0: https://edx.netl.doe.gov/dataset/futuregen-2-0-1008-simulation-reservoir-lookup-table NRAP-Open-IAM GitLab repository: https://gitlab.com/NRAP/OpenIAM Related publications: - Bacon, D., Yonkofski, C., Brown, C., Demirkanli, D. and Whiting, J., 2019. Risk-based post injection site care and monitoring for commercial-scale carbon storage: Reevaluation of the FutureGen 2.0 site using NRAP-Open-IAM and DREAM. International Journal of Greenhouse Gas Control 90: 102784. - Bacon, D. Demirkanli, D., and White, S., 2020. Probabilistic risk-based Area of Review (AoR) determination for a deep-saline carbon storage site. International Journal of Greenhouse Gas Control 102: 103153. - Harp, D., Oldenburg, C., and Pawar, R., 2019. A metric for evaluating conformance robustness during geologic CO2 sequestration operations. International Journal of Greenhouse Gas Control 85: 100-108. - Lackey, G., Vasylkivska, V., Huerta, N., King, S., and Dilmore, R., 2019. Managing well leakage risks at a geologic carbon storage site with many wells, International Journal of Greenhouse Gas Control, 88 :182-194. - Vasylkivska, V., Dilmore, R., Lackey, G., Zhang, Y., King, S., Bacon, D., Chen, B., Mansoor, K., and Harp, D., 2021. NRAP-Open-IAM: A flexible open-source integrated assessment model for geologic carbon storage risk assessment and management, Environmental Modelling & Software, 143: 105114. Presentations: - Chen, B., Harp, D., and Pawar, R., A data assimilation approach (ES-MDA) coupling with NRAP-Open-IAM for quantifying uncertainty reduction in geological CO2 sequestration. AGUFM 2019: T44A-02. - Chen, B., and Harp, D., Improving risk analysis precision for geologic CO2 sequestration by quantifying the uncertainty reduction before and after acquiring monitoring data. 14th Greenhouse Gas Control Technologies Conference, Melbourne, Australia, 2018, pp. 21-26. - Harp, D., National Risk Assessment Partnership Task 2: Containment Assurance. No. LA-UR-19-28654, Los Alamos National Laboratory (LANL), Los Alamos, NM (United States), 2019. - Vasylkivska, V., King, S., Bacon, D., Harp, D., Chen, B., Mansoor, K., Onishi, T., Yang, Y., Zhang, Y., and Keating, E., NRAP-Open-IAM: An open-source integrated assessment model, poster, Mastering the Subsurface Through Technology Innovation, Partnerships and Collaboration: Carbon Storage and Oil and Natural Gas Technologies Review Meeting, Pittsburgh, PA, August 13-16, 2018. - Vasylkivska, V., Lackey, G., King, S., Wentworth, A., Huerta, N., Creason, C., DiGiulio, J., Yang, Y., and Dilmore, R., Long-term risk analysis of a geologic CO2 storage project during the post-injection period, SIAM Conference on Computational Science and Engineering, Spokane, WA, February 25-March 1, 2019. - Vasylkivska, V., Overview of the NRAP-Open-IAM tool for carbon storage (beta release), 2019 Annual NRAP Tool Users Meeting, Pittsburgh, PA, August 27, 2019. - Vasylkivska, V., Bacon, D., Chen, B., Dilmore, R., Harp, D., King, S., Lackey, G., Lindner, E., Liu, G., Mansoor, K. and Zhang, Y., NRAP-Open-IAM: A new, open-source code for integrated assessment of geologic carbon storage containment effectiveness and leakage risk, poster, American Geophysical Union Fall Meeting 2020 (virtual meeting), December 2020. - Vasylkivska, V., NRAP open-source integrated assessment model and relevant application, oral presentation, NRAP workshop "NRAP Tools for Geologic Carbon Storage Risk-Based Decision Making" held in conjunction with Groundwater Protection Council (GWPC) 2021 Annual Forum (virtual meeting), Salt Lake City, UT, September 2021. - Vasylkivska, V., NRAP-Open-IAM: open-source integrated assessment model, digital poster/demonstration, software demonstration session, 2022 Carbon Management Project Review Meeting, August 16, 2022

AoR↗
DOE OSTI2026

ARM Data-Oriented Metrics and Diagnostics Package for Climate Model Evaluation

A Python-based metrics and diagnostics package is currently being developed by the U.S. Department of Energy (DOE) Atmospheric Radiation Measurement (ARM) Infrastructure Team at Lawrence Livermore National Laboratory (LLNL) to facilitate the use of long-term, high-frequency measurements from the ARM Facility in evaluating the regional climate simulation of clouds, radiation, and precipitation. This metrics and diagnostics package computes climatological means of targeted climate model simulation and generates tables and plots for comparing the model simulation with ARM observational data. The Coupled Model Intercomparison Project (CMIP) model data sets are also included in the package to enable model intercomparison as demonstrated in Zhang et al. (2017). The mean of the CMIP model can serve as a reference for individual models. Basic performance metrics are computed to measure the accuracy of mean state and variability of climate models. The evaluated physical quantities include cloud fraction, temperature, relative humidity, cloud liquid water path, total column water vapor, precipitation, sensible and latent heat fluxes, and radiative fluxes, with plan to extend to more fields, such as aerosol and microphysics properties. Process-oriented diagnostics focusing on individual cloud- and precipitation-related phenomena are also being developed for the evaluation and development of specific model physical parameterizations. The version 1.0 package is designed based on data collected at ARM’s Southern Great Plains (SGP) Research Facility, with the plan to extend to other ARM sites. The metrics and diagnostics package is currently built upon standard Python libraries and additional Python packages developed by DOE (such as CDMS and CDAT). The ARM metrics and diagnostic package is available publicly with the hope that it can serve as an easy entry point for climate modelers to compare their models with ARM data. In this report, we first present the input data, which constitutes the core content of the metrics and diagnostics package in section 2, and a user's guide documenting the workflow/structure of the version 1.0 codes, and including step-by-step instruction for running the package in section 3.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2020

Galaxy and Mass Assembly: A Comparison between Galaxy–Galaxy Lens Searches in KiDS/GAMA

Strong gravitational lenses are a rare and instructive type of astronomical object. Identification has long relied on serendipity, but different strategies—such as mixed spectroscopy of multiple galaxies along the line of sight, machine-learning algorithms, and citizen science—have been employed to identify these objects as new imaging surveys become available. We report on the comparison between spectroscopic, machine-learning, and citizen-science identification of galaxy–galaxy lens candidates from independently constructed lens catalogs in the common survey area of the equatorial fields of the Galaxy and Mass Assembly survey. In these, we have the opportunity to compare high completeness spectroscopic identifications against high-fidelity imaging from the Kilo Degree Survey used for both machine-learning and citizen-science lens searches. We find that the three methods—spectroscopy, machine learning, and citizen science—identify 47, 47, and 13 candidates, respectively, in the 180 square degrees surveyed. These identifications barely overlap, with only two identified by both citizen science and machine learning. We have traced this discrepancy to inherent differences in the selection functions of each of the three methods, either within their parent samples (i.e., citizen science focuses on low redshift) or inherent to the method (i.e., machine learning is limited by its training sample and prefers well-separated features, while spectroscopy requires sufficient flux from lensed features to lie within the fiber). These differences manifest as separate samples in estimated Einstein radius, lens stellar mass, and lens redshift. The combined sample implies a lens candidate sky density of ∼0.59 deg{sup −2} and can inform the construction of a training set spanning a wider mass–redshift space. A combined approach and refinement of automated searches would result in a more complete sample of galaxy–galaxy lens candidates for future surveys.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2022

ARM data-oriented metrics and diagnostics package for climate model evaluation (ARM-DIAGS-V3) version 3

A Python-based metrics and diagnostics package is currently being developed by the ARM Infrastructure Team at Lawrence Livermore National Laboratory to facilitate the use of long-term high frequency measurements from the ARM program in evaluating the regional climate simulation of clouds, radiation, precipitation, and aerosols. This metrics and diagnostics package computes climatological means of targeted climate model simulation and generates tables and plots for comparing the model simulation with ARM observational data. The CMIP model data sets are also included in the package to enable model inter-comparison as demonstrated in Zhang et al. (2018) and Zhang et al. (2020). The mean of the CMIP model can be served as a reference for individual models. Basic performance metrics are computed to measure the accuracy of mean state and variability of climate models. The evaluated physical quantities include cloud fraction, temperature, relative humidity, cloud liquid water path, total column water vapor, precipitation, sensible and latent heat fluxes, aerosol optical depth, and radiative fluxes, with plan to extend to more fields, such as the evaluation of model simulated aerosol physicochemical properties and cloud microphysics properties. Process-oriented diagnostics focusing on aerosol, cloud, and precipitation-related phenomena are also being developed for the evaluation and development of specific model physical parameterizations. In addition to the Southern Great Plains (SGP), North Slope of Alaska (NSA) and Tropical Western Pacific (TWP) atmospheric observatories in the ARMDIAGS version 2.0, the version 3.0 package have extended to the data collected at the ARM Eastern North Atlantic (ENA) atmospheric observatory and the Observation and Modeling of the Green Ocean Amazon (GOAMAZON) field campaign. The metrics and diagnostics package are currently built upon standard Python libraries and additional Python packages developed by DOE (CDAT). The ARM metrics and diagnostic package is available publicly with the hope that it can serve as an easy entry point for climate modelers to compare their models with ARM data. In this report, we first provide an overview of major metrics in section 2. The input data, which constitutes the core content of the metrics and diagnostics package, is summarized in section 3. A user's guide documenting the workflow/structure of the version 3.0 codes and including step-by-step instruction for running the package is described in section 4.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2021

Distributed Inference with Sparse and Quantized Communication

Here, we consider the problem of distributed inference where agents in a network observe a stream of private signals generated by an unknown state, and aim to uniquely identify this state from a finite set of hypotheses. We focus on scenarios where communication between agents is costly, and takes place over channels with finite bandwidth. To reduce the frequency of communication, we develop a novel event-triggered distributed learning rule that is based on the principle of diffusing low beliefs on each false hypothesis. Building on this principle, we design a trigger condition under which an agent broadcasts only those components of its belief vector that have adequate innovation, to only those neighbors that require such information. We prove that our rule guarantees convergence to the true state exponentially fast almost surely despite sparse communication, and that it has the potential to significantly reduce information flow from uninformative agents to informative agents. Next, to deal with finite-precision communication channels, we propose a distributed learning rule that leverages the idea of adaptive quantization. We show that by sequentially refining the range of the quantizers, every agent can learn the truth exponentially fast almost surely, while using just 1 bit to encode its belief on each hypothesis. For both our proposed algorithms, we rigorously characterize the trade-offs between communication-efficiency and the learning rate.

42 ENGINEERING↗
DOE OSTI2021

Subsurface Characterization and Machine Learning Predictions at Brady Hot Springs Results

Geothermal power plants typically show decreasing heat and power production rates over time. Mitigation strategies include optimizing the management of existing wells - increasing or decreasing the fluid flow rates across the wells - and drilling new wells at appropriate locations. The latter is expensive, time-consuming, and subject to many engineering constraints, but the former is a viable mechanism for periodic adjustment of the available fluid allocations. Data and supporting literature from a study describing a new approach combining reservoir modeling and machine learning to produce models that enable strategies for the mitigation of decreased heat and power production rates over time for geothermal power plants. The computational approach used enables translation of sets of potential flow rates for the active wells into reservoir-wide estimates of produced energy and discovery of optimal flow allocations among the studied sets. In our computational experiments, we utilize collections of simulations for a specific reservoir (which capture subsurface characterization and realize history matching) along with machine learning models that predict temperature and pressure timeseries for production wells. We evaluate this approach using an "open-source" reservoir we have constructed that captures many of the characteristics of Brady Hot Springs, a commercially operational geothermal field in Nevada, USA. Selected results from a reservoir model of Brady Hot Springs itself are presented to show successful application to an existing system. In both cases, energy predictions prove to be highly accurate: all observed prediction errors do not exceed 3.68% for temperatures and 4.75% for pressures. In a cumulative energy estimation, we observe prediction errors that are less than 4.04%. A typical reservoir simulation for Brady Hot Springs completes in approximately 4 hours, whereas our machine learning models yield accurate 20-year predictions for temperatures, pressures, and produced energy in 0.9 seconds. This paper aims to demonstrate how the models and techniques from our study can be applied to achieve rapid exploration of controlled parameters and optimization of other geothermal reservoirs. Includes a synthetic, yet realistic, model of a geothermal reservoir, referred to as open-source reservoir (OSR). OSR is a 10-well (4 injection wells and 6 production wells) system that resembles Brady Hot Springs (a commercially operational geothermal field in Nevada, USA) at a high level but has a number of sufficiently modified characteristics (which renders any possible similarity between specific characteristics like temperatures and pressures as purely random). We study OSR through CMG simulations with a wide range of flow allocation scenarios. Includes a dataset with 101 simulated scenarios that cover the period of time between 2020 and 2040 and a link to the published paper about this project, where we focus on the Machine Learning work for predicting OSR's energy production based on the simulation data, as well as a link to the GitHub repository where we have published the code we have developed (please refer to the repository's readme file to see instructions on how to run the code). Additional links are included to associated work led by the USGS to identify geologic factors associated with well productivity in geothermal fields. Below are the high-level steps for applying the same modeling + ML process to other geothermal reservoirs: 1. Develop a geologic model of the geothermal field. The location of faults, upflow zones, aquifers, etc. need to be accounted for as accurately as possible 2. The geologic model needs to be converted to a reservoir model that can be used in a reservoir simulator, such as, for instance, CMG STARS, TETRAD, or FALCON 3. Using native state modeling, the initial temperature and pressure distributions are evaluated, and they become the initial conditions for dynamic reservoir simulations 4....

15 GEOTHERMAL ENERGY↗
DOE OSTI2020

LLNL Kimberlina 1.2 NUFT Simulations June 2018 (v2)

This dataset contains the output 6,000, 3-dimensional reactive multi-phase flow and transport aquifer simulations of brine and CO2 leakage into a protective aquiver in California’s San Joaquin Valley and input data files detailing the geologic mesh, aquifer physical properties and CO2 and brine injection rates. This data set was generated as an ongoing effort with the US DOE National Risk Assessment Partnership (NRAP) to evaluate the effectiveness of monitoring techniques to detect brine and CO2 leakage from legacy wells into underground sources of drinking water overlaying a CO2 storage reservoir. Each simulation contains a unique set of input parameters, generated stochastically. The outputs consist of these upper three geologic layers (from top): the Etchegoin, Macoma-Chanac, Santa Margarita-McLure formations. These simulations span the several distances (1, 3 and 6 km or wells W31-0.2, W31-0.5 and W31-1.0, respectively) from the CO2 injector, initiated from bottom hole pressure and saturation to calculate wellbore leakage from the storage reservoir, with low and high regional groundwater gradients and wellbore leakage into 5 leaky nodes. The dataset includes 1,000 unique simulations for each distance, which each contain a unique aquifer heterogeneity, aquifer and caprock permeability, and two model generations are included with a high permeability (prod07) and hybrid permeability (prod09). The range of permeability distributions is listed in Table 1. Each model generation consists of 3,000 simulations. Included in the dataset are the leakage rates determined from 2D wellbore models which utilize the pressure and CO2 saturation from LBL's reservoir simulations, NUFT mesh files with distributed lithology, NUFT rocktab files which describe the material properties for the geologic layers and the NUFT input files and post-processed output 'ntab' files. Each ntab file contains spatial (rows) and temporal (columns) model output tables for each model cell, the locations (x,y,z) and dimensions for each cells (dx, dy, dz). Table 1. Permeability distribution ranges for prod07 and prod09 model generations Geologic Layer: Permeability Range (log10 m^2) prod07 prod09 Etchegoin -12.92 to -10.92 -13.70 to -11.44 Macoma-Chanac -12.72 to -10.72 -13.50 to -11.24 Santa Margarita-McLure -12.70 to -10.70 -13.48 to -11.22 The input files used to generate the model include which are included in the dataset are: Time series of CO2 leakage input into the model (ex: Q_brn.W31-0.2.sim1000.layers123.tab) Time series of CO2 leakage input into the model (ex: Q_CO2.W31-0.2.sim1000.layers123.tab) Physical properties of the aquifer materials detailing the aquifer porosity, solid density, partitioning coefficients, permeabilities and van-Genuchten parameters detailed in a NUFT rocktab file: (ex: sim1000.usnt.rocktab) Numerical mesh and geologic data assigned to each model cell detailed in a NUFT genmsh format (ex: sim1000.mesh_k16.prod07.trans.genmsh) The primary output parameters are: pH (use absolute value) Change in TDS (mg/kg) Change in Pressure (Pa) Change CO2 gas saturation (fraction range 0.0-1.0) for example, the directory /p/lscratchh/mansoor1/nrap/kimberlina/prod09/mainfiles/sim1000/W31- 0.2 contains: sim1000.W31-0.2.trans.pH.red.ntab sim1000.W31-0.2.no_bg.trans.TDS.red.ntab sim1000.W31-0.2.usnt.P.deltabg.red.ntab sim1000.W31-0.2.usnt.CO2_sat.deltabg.red.ntab Each row in the NTAB files consist of model output per numerical grid cell. Each output file contains 33 columns (variables), including the information of numerical records, geologic location and sizes and the simulated parameter values over time. The first 13 variables are about numerical records and relative geologic information for a simulation grid: 1. index: simulation index 2. i: the ith grid of x-axis 3. j: the ith grid of y-axis 4. k: the ith grid of z-axis 5. element_ref: element reference 6. nuft_ind: nuft index 7. x: grid location in the x axis direction 8. y: grid location in the y axis direction 9. z: grid location in the z axis direction 10. dx: grid length in the x axis direction 11. dy: grid length in the y axis direction 12. dz: grid length in the z axis direction 13. volume: volume of the simulation grid The remainder (14, 15, 16...) variables are the simulated parameter values over time, take Pressure as an example, are: 14. 0.0y: initial pressure per cell. 15. 10.0y: simulated pressure at the end of the 10th year. 16. 20.0y: simulated pressure at the end of the 20th year. ... (repeated for every 10 years until 200 years)... The model extends 10,000 m, 5,000 m and 1,411 m in the x,y and z dimensions, respectively. The mesh consists of 164,832 cells with mesh dimensions of 101 x 51 x 32 (nx, ny, nz), with cell dimensions ranging from 100 m laterally (along x and y-axis) and model layers are as designated in the z-axis: Layer 1: atmosphere (1e-30 m thick) Layer 2: upper caprock (10 m thick) Layers 3-13: Etchegoin (536.23 m thck) Layers 14-27: Macoma-Chanac (679.04 m thick) Layers 28-32: Santa Margarita-McLure (185.94 m thick) The wellbore is placed along node i=51, j=26, and extends vertically along 5 nodes from the top to the bottom of the model. Special instructions when extracting files: Each Gzip archive (ex: prod07.sim1000-sim00099.tar.gz) contains 100 simulations. Gzip archives should be transferred into base directories (ie. In Linux: mkdir prod07; mv prod07.*.tar.gz prod07/.) before extracting, or files will be overwritten. Each sub-simulation tree should have the following file structure pattern (using the linux 'tree' command): |-- prod07 | |-- sim0001 | |-- W31-0.2 | | |-- Q_brn.W31-0.2.sim0001.layers123.tab | | |-- Q_co2.W31-0.2.sim0001.layers123.tab | | |-- sim0001.W31-0.2.no_bg.trans.TDS.red.ntab | | |-- sim0001.W31-0.2.trans.pH.red.ntab | | |-- sim0001.W31-0.2.usnt.CO2_sat.deltabg.red.ntab | | |-- sim0001.W31-0.2.usnt.P.deltabg.red.ntab | |-- W31-0.5 | | |-- Q_brn.W31-0.5.sim0001.layers123.tab | | |-- Q_co2.W31-0.5.sim0001.layers123.tab | | |-- sim0001.W31-0.5.no_bg.trans.TDS.red.ntab | | |-- sim0001.W31-0.5.trans.pH.red.ntab | | |-- sim0001.W31-0.5.usnt.CO2_sat.deltabg.red.ntab | | |-- sim0001.W31-0.5.usnt.P.deltabg.red.ntab | |-- W31-1.0 | | |-- Q_brn.W31-1.0.sim0001.layers123.tab | | |-- Q_co2.W31-1.0.sim0001.layers123.tab | | |-- sim0001.W31-1.0.no_bg.trans.TDS.red.ntab | | |-- sim0001.W31-1.0.trans.pH.red.ntab | | |-- sim0001.W31-1.0.usnt.CO2_sat.deltabg.red.ntab | | |-- sim0001.W31-1.0.usnt.P.deltabg.red.ntab | |-- sim0001.mesh_k16.prod07.trans.genmsh Disclaimer This document was prepared as an account of work sponsored by an agency of the United States government. Neither the United States government nor Lawrence Livermore National Security, LLC, nor any of their employees makes any warranty, expressed or implied, or assumes any legal liability or responsibility for the accuracy, completeness, or usefulness of any information, apparatus, product, or process disclosed, or represents that its use would not infringe privately owned rights. Reference herein to any specific commercial product, process, or service by trade name, trademark, manufacturer, or otherwise does not necessarily constitute or imply its endorsement, recommendation, or favoring by the United States government or Lawrence Livermore National Security, LLC. The views and opinions of authors expressed herein do not necessarily state or reflect those of the United States government or Lawrence Livermore National Security, LLC, and shall not be used for advertising or product endorsement purposes. Lawrence Livermore National Laboratory is operated by Lawrence Livermore National Security, LLC, for the U.S. Department of Energy, National Nuclear Security Administration under Contract DE-AC52-07NA27344. This report was reviewed and released as LLNL-MI-753464.

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