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All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

Improving GCM Representation of Convective Cloud Microphysics by Using ARM Raman Lidar and Cloud Radar Observations

The overall objective of this Department of Energy (DOE) Atmospheric System Research (ASR) funded project is to improve the representation of convective cloud microphysics in global climate models (GCMs) and check it by comparing the model simulations with observations. We have derived the cloud ice water content by synthesizing ARM Raman lidar (RL) and cloud radar observations at the Atmospheric Radiation Measurement (ARM) sites. Noting that the simulated anvil clouds in terms of their macro- and micro-physical properties are sensitive to the parameterization of convective microphysical processes, observed ice water content in anvil clouds provides a useful constraint on these parameterizations. We have improved the convective microphysics parameterization scheme by (1) considering sedimentation for cloud ice crystals that do not fall in the original scheme, (2) applying a new terminal velocity parameterization that depends on the environmental conditions for convective snow, (3) adding a new hydrometeor category, “rimed ice,” to the original four-class (cloud liquid, cloud ice, rain, and snow) scheme, and (4) allowing convective clouds to detrain snow particles into stratiform clouds. We have examined the impact of improved convective cloud microphysics parameterization on the simulated global climate from GCM simulations.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2022

Dimensional stability of low-cost thermoplastic composite molds

This report addresses a key question for using additively manufactured tooling from carbon fiber reinforced thermoplastic composites. How does the distortion of the molded part change with the print orientation used in the manufacture of tooling? The objective of this research was to discuss the distortion of parts molded with such tooling, in relation to the deflections in the tooling during the compression molding process. This was achieved through both model simulations and experimental molding runs. A vertical orientation was used in printing the mold with a distinctly non-planar surface: this orientation allowed for higher performance along the press closing direction -- higher thermal conductivity, higher stiffness, and lower coefficient of thermal expansion. Epoxy-carbon fiber twill weave fabric prepreg was then compression molded in this mold. The thermomechanical properties of the tooling material and the molded part were measured and used in simulation of mold deformation as well as part distortion. The thermomechanical anisotropy of the mold is quite different from that of the molded part because in the mold, the stiffest direction is the z-axis, while in the molded thermoset part, the z-axis is the weakest direction. The connection between mold deformation during the compression molding process and the final part distortion can be seen from the simulation results. The simulation results for the case where the mold was four times as stiff as the part along the press closing direction compared well with experiment. When the mold stiffness was lowered in relation to the part stiffness, the mold deformation during the compression molding increased; but this led to a smaller extent of part distortion.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Isolated Building Wake Experiment At Texas Tech University’s Wind Engineering Research Field Lab

Texas Tech University’s (TTU’s) Wind Engineering Research Field Lab (WERFL) building is an idealized rectangular building on the scale of a typical suburban house. It is surrounded almost entirely by unobstructed planes and is built on a turn table. WERFL is ideal for providing measurements of an idealized building under real-world conditions including atmospheric stability and variable relative wind angles. The intent of this data set is for verification and validation of computational fluid dynamics model simulations of flow around buildings. The primary focus of this dataset features 24 3D sonic anemometers (20 downwind and 4 upwind) and 10 2D sonic anemometers (9 downwind and 1 upwind) located in the immediate vicinity of the WERFL building. It also includes a variety of instruments intended to measure the ambient meteorological parameters and the undisturbed wind profile.

17 WIND ENERGY↗
DOE OSTI2021

Position Papers for the ASCR Workshop on Cybersecurity and Privacy for Scientific Computing Ecosystems

At the request of the Department of Energy's (DOE) Office of Advanced Scientific Computing Research (ASCR), this program committee has been tasked with organizing a workshop to identify basic research needs in cybersecurity and privacy to better support DOE's science and energy mission. As part of the process, the program committee is soliciting community input in the form of position papers to help identify significant use cases, facility issues, and other barriers to enabling verifiably trustworthy computational science while preserving data confidentiality as appropriate for scientific workflows of interest to DOE. The program committee will review these position papers and based on the fit of their area of expertise and interest, selected contributors will have the opportunity to participate in the workshop currently planned as a virtual event November 3-5th, 2021. The thrust areas that will be explored by this workshop are the following: (1) Algorithms for secure, scalable, privacy-enhancing technologies and frameworks, including: Federated AI/ML, Differential privacy, Randomized algorithms, Adversarial modeling & simulation, Graph algorithms, and Formal methods; (2) Platforms to support the entire scientific-computing ecosystem, including edge computing for large-scale experiments, focusing on heterogeneous systems and distributed systems, including: Heterogeneous computing systems, Distributed computing systems, and Secure data architectures; and (3) Data workflows to allow agile use of data while preserving integrity and privacy, making the important properties verifiable either at runtime or post-computation, including: Integrity and provenance and Data management infrastructure. Topics that are out-of-scope for the workshop include discussing specific proposed solutions or areas that are clearly out of DOE's fundamental and applied-sciences mission scope, e.g., cryptography, enterprise security, and general-operations technology.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2021

A-SST Initial Specification

The U.S. Army Research Office (ARO), in partnership with IARPA, are investigating innovative, efficient, and scalable computer architectures that are capable of executing next-generation large scale data-analytic applications. These applications are increasingly sparse, unstructured, non-local, and heterogeneous. Under the Advanced Graphic Intelligence Logical computing Environment (AGILE) program, Performer teams will be asked to design computer architectures to meet the future needs of the DoD and the Intelligence Community (IC). This design effort will require flexible, scalable, and detailed simulation to assess the performance, efficiency, and validity of their designs. To support AGILE, Sandia National Labs will be providing the AGILE-enhanced Structural Simulation Toolkit (A-SST). This toolkit is a computer architecture simulation framework designed to support fast, parallel, and multi-scale simulation of novel architectures. This document describes the A-SST framework, some of its library of simulation models, and how it may be used by AGILE Performers.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2022

Probing the solidification of quasicrystals via joint experiment and simulation (Final Report)

Quasicrystals (QCs) possess long-range positional order but non-crystallographic orientational order. Their classically ‘forbidden’ symmetry has long attracted the interest of scientists worldwide. Despite their frequent observation in both metal alloys and soft matter structures in the 35 years since their discovery, little is known about how QCs evolve from a liquid, amorphous, or crystalline precursor. In this project, we sought to resolve the enigma of QC self-assembly through a combined experimental and computational program. The Shahani group employed in situ electron and synchrotron X ray imaging to peer into the growth dynamics of QCs in a liquid, covering a broad range of length scales and solidification pathways. Glotzer's team developed new simulation models incorporating phasonic defects — which are unique to quasicrystals — and used this model to investigate two grains growing together, closely mimicking the experimental conditions. While QCs remain exceptional structures, most compounds in the realm of intermetallics adopt non-trivial geometries. In fact, only around 6% of phases are comprised of the simplest sphere packings that researchers so readily associate with metals. State-of-the-art knowledge of phase transformations at the outset of this collaborative project did not encompass the remaining 94% of intermetallic compounds that possess complex and aperiodic structure types. Therefore, we expect that outcomes from this project will have immediate and profound impact on synthesis and processing science: our efforts will be used to not only explain the growth dynamics of QCs but also complex intermetallics more broadly.

36 MATERIALS SCIENCE↗
DOE OSTI2022

California Energy Systems for the 21st Century (CES-21) Program, CRADA TC02200 (Final Report)

The following report representsthe culmination of a five-year Cybersecurity Research and Development (R&D) program performed by California’s Investor-Owned Utilities (IOUs) and Lawrence Livermore National Laboratory (LLNL) and funded by the IOUs’ electricity ratepayers as authorized by California Legislation and the California Public Utilities Commission (CPUC). The cybersecurity R&D, which was intensely technical in nature, was broken into three major workstreams: 1. The development of a modeling & simulation platform, to explore the potential effects of various threat and response scenarios at grid scale; 2. The establishment of a physical testbed with separate substation instances from each of the IOUs, to evaluate threats and responses on actual substation equipment; 3. The development of a research package consisting of several capabilities to support the industry’s evolution towards automated threat response and other next-generation cybersecurity techniques Throughout the program, there was extensive collaboration between the program team and national laboratories, federal departments, academic institutions and industry organizations. Several of the tools developed through the program have been made available to the open source community, to enable faster adoption and continued development of important cybersecurity capabilities. While this program began to develop much of the foundation for automated threat response, much work remains to be done, and this report recommends a series of next steps. While the Executive Summary below has been simplified as much as possible, the very technical nature of the subject matter would make further reduction difficult without causing meaning to be lost. Due to the sensitive nature of the research, some topics are intentionally covered at a high level to protect the research and therefore the electric grid and customers of California and the Nation. For further detail, clarification or questions we suggest discussion with the program team.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗
DOE OSTI2022

Impact of Mass Wood Walls on Building Energy Use, Peak Demand, and Thermal Comfort

Thermal mass moderates indoor temperatures, allowing the heating, ventilation, and air conditioning (HVAC) system to operate more efficiently during peak hours. Cross-Laminated Timber (CLT) and other mass wood products provide thermal mass to the building envelope in a lighter and more environmentally friendly form than concrete. However, the influence of CLTs on heating and cooling energy, peak energy demand, and the indoor climate is not well-known. This project was formed to find the energy efficiency benefits of mass timber structures. The objectives were to (1) test the thermal performance of insulated mass wall structures in controlled laboratory conditions, (2) validate simulation models to expand performance to natural climatic conditions, (3) isolate the impact of the thermal properties of wood (thermal mass, thermal conductivity, moisture storage) on heating and cooling energy use and peak energy demand, and to optimize the performance. Currently, the designs used for CLT buildings have focused on structural and fire issues, and they do not consider the thermal mass benefits. Therefore, the thermal performance is not necessarily optimized.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2022

Electric Vehicle Managed Charging: Forward-Looking Estimates of Bulk Power System Value

When and where electric vehicle charging occurs has significant implications for power systems supporting widespread electric vehicle deployment with high shares of wind and solar generation. Numerous studies have estimated the value of scheduling or otherwise managing electric vehicle charging in such power systems. This study improves on those earlier works by leveraging detailed simulation models for electric vehicle adoption, electric vehicle use, electric vehicle charging, and bulk power system operations; and linking them with methods for describing charging flexibility at both the individual vehicle and aggregate levels. This study closely analyzes electric vehicle managed charging (EVMC) performance along the dimensions of flexibility type (within-charging session or within-week scheduling), dispatch mechanism (direct load control or one of several price-based mechanisms), and participation rate, under the assumptions of ubiquitous chargers and all trips completed on time. The study is located in a passenger light-duty vehicle adoption scenario with 100% electric vehicle sales by 2035, and in an envisioned 2038 New England power system for which within-region generation is 84% clean.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗
DOE OSTI2023

FY22 Laboratory Directed Research and Development Annual Report

The Laboratory Directed Research and Development (LDRD) program yields foundational scientific research and development (R&D) essential to growing SRNL’s core competencies, in alignment with SRNL’s Strategic Plan to provide long-term benefits to the Department of Energy (DOE), the National Nuclear Security Administration (NNSA), and other customers and stakeholders. Five strategic goals are outlined in SRNL’s strategic plan: 1) Provide applied science and engineering for EM’s active clean-up sites and LM’s post closure management sites; 2) Provide science-based solutions for gaps identified in nonproliferation strategic vision and support the government in actives impacting national security; 3) Lead ST&E as the central technical authority for processing tritium loaded reservoirs and support production of plutonium pits; 4) Align science and energy security programs by focusing modern modeling, simulation, and data analytics tools on materials engineering and performance applications; 5) Build a workforce for the future.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2022

Development and Demonstration of a Fuel-Efficient, Class 8 Tractor & Trailer Engine System (SuperTruck II)

Navistar presents the SuperTruck II (ST II) Final Report to the Unites States Department of Energy (US DOE), which covers the five Budget Periods (BPs) from 10-1-2016 through 6-30-2022. For ST II, Navistar built on the achievements of the SuperTruck I (ST I) Program as a catalyst to continue critical research, design and development, testing, and operations to reach the ambitious goals of the ST II project. This approach allowed Navistar to continue contributing to the essential needs of our nation for safe, efficient, and cost-effective delivery of goods and services, as we reduced negative environmental effects and improved operational productivity. This document contains information specified in DOE F 4600.2, Final Scientific/Technical Report DOE F 241.3, B. SCIENTIFIC/TECHNICAL REPORTS, explaining how we met and exceeded program requirements. Throughout this Final Report, Navistar extracted information from documents prepared during the project that represent our management, design and development, building, and testing efforts to meet and exceed SuperTruck II project goals. Navistar followed Plan requirements to achieve / exceed Project Objectives: a) >100% improvement in vehicle freight efficiency (FE) (on ton-MPG basis) relative to 2009 baseline with stretch goal of 140% improvement [actual: 170%); b) >55% engine brake thermal efficiency (BTE) demonstrated in operational engine at a 65-mph cruise point on a dynamometer – ≥31% increase from 2009 baseline [actual: 55.20% of combined BTE) ; and c) development and implementation of commercially cost effective technologies (in terms of a simple payback). Technology selection / development path focused on developing technologies applicable for production within 3-year approach, while ensuring technology readiness and cost of ownership for end users. The Program was organized into five budget periods: Requirements / Technology Assessment and Initial Hardware Testing; Technology Development and Concept Readiness Demonstration; Technology Finalization and Validation Tractor / Trailer Fabrication, Integration and Commissioning Demonstration; and Fuel Economy (FE) and Brake Thermal Efficiency (BTE) and Program Completion. Leadership was provided by DOE, with tasks performed by laboratories (Argonne National Laboratory, Lawrence Livermore National Laboratory); partners at Bosch, TPI, Dana, and J.B. Hunt; , and support from University of Michigan and Clemson University. Navistar lead this team with Principal Investigator / Contracting Officer; Project Manager (PM); Vehicle, Engine, and Aftertreatment Engineers; Finance Manager, Technical Program Leads, and Legal/IP; and other key personnel. Work also included personnel in risk management; funding / budget / finance. Work involved analysis, development, testing, and down selection of individual/system engine, aftertreatment, and vehicle technologies, with integration of selected technologies into a prototype vehicle for demonstration of fuel-efficiency gain. Work also included component/integrated system level development of truck and trailer aerodynamics, base engine efficiency, advanced aftertreatment, combustion efficiency, waste heat recovery, hybrid powertrain, reduced rolling resistance, weight reduction, idle reduction, and driver feedback. As ST II progressed, Navistar performed computer-based modeling / simulations of technologies focused on the primary operational areas: Engine, Aftertreatment, and Vehicle. During the ST II Program, the COVID Virus outbreak unexpectedly challenged by the effects of, which affected staffing, scheduling, design, supplies, availability of materials, production procedures, and testing. The DOE responded by extending the program by three quarters to ensure that project tasks were completed for this vital project. Focus continued on analyzing, developing, testing, and down selecting individual-/system-level engine and vehicle technologies for integration of the final selected technologies into a prototype vehicle that would demonstrate fuel-efficiency gains made possible through these technologies. This included component/integrated system-level development of truck and trailer aerodynamics, base engine efficiency, advanced aftertreatment, combustion efficiency, waste heat recovery, solar power, distributed and intelligent vehicle power, hybrid powertrain, reduced rolling resistance, weight reduction, idle reduction, and driver feedback. Throughout the program, function, reliability, and performance at all levels were ensured through testing. Proof of this approach was demonstrated in multiple, on-road demonstrations: Scenario A (Flatland) Fuel Economy, Scenario B (Hilly) Fuel Economy, and City Cycle Tests. Other benefits derived from ST II included new/improved products, publications, patents, and next-step capabilities related to electric/hydrogen vehicles and autonomous driving.

Zukouski, Russ↗
DOE OSTI2023

First Ever Field Pilot on Alaska's North Slope to Validate the Use of Polymer Floods for Heavy Oil EOR a.k.a Alaska North Slope Field Laboratory (ANSFL)

Alaska’s high viscosity oil resources that range between 20–30+ billion barrels represent about a third of known North Slope original oil in place (OOIP). These resources are primarily concentrated in the Schrader Bluff formation (also called West Sak on the Western North Slope) and Ugnu reservoirs and are categorized as “viscous oils” and “heavy oils” owing to their in-situ viscosities between 5–10,000 cP and up to a million+ cP respectively. The viscous oil deposits are relatively deeper (2,000 – 5,000 ft), whereas the heavy oils are somewhat shallower (2,000 – 4,000 ft). The typically shallow depths and the proximity to the continuous permafrost results in relatively lower formation temperatures and pressures, and consequently higher viscosities. The vertical depth vs. viscosity delineated in Paskvan et al. (2016) differentiates the viscous and heavy oils. As depicted in Paskvan et al. (2016), currently the main focus (referred to as “developing”) is on the viscous oils in the Schrader Bluff formation in the Milne Point Unit (MPU). Notwithstanding this Alaska North Slope (ANS) specific categorization, we use the industry adopted, all-inclusive term “heavy oil” for all high viscosity oils. Resource characterization and additional details can be found in topical publications of Paskvan et al. (2016) and Targac et al. (2005). Despite the vast resource base, the development pace, vis-à-vis the production of heavy oils has been very slow and limited due to multiple factors such as cost, logistics, challenging arctic environment, poor waterflood sweep efficiency due to mobility contrasts, and significantly high minimum miscibility pressures (MMP). Most importantly, typical or standard thermal methods that are commonplace elsewhere (Canada, California) are inapplicable due to the continuous permafrost. As a consequence, cumulative production of heavy and viscous oils is a little over 1% of OOIP slope wide and currently, there is hardly any production from Ugnu. However, on a broader level, these unfavorable factors are outweighed by the fact that (1) these resources, within the established infrastructure, are too large to ignore because of their strategic importance to the Nation and the State of Alaska and (2) Prudhoe Bay type diluent crude oil is still available for heavy oil transport through the Trans Alaska Pipeline System (TAPS). Similarly, from a reservoir standpoint, the following factors also are important offsets: (1) favorable rock characteristics of Schrader Bluff; (2) the promise demonstrated by the initial scoping studies (Seright 2010, 2011) suggesting significant increase of heavy oil recovery using polymer flooding; (3) successful field implementation in Canada, China and elsewhere in the world, and (4) availability of the existing pairs of horizontal injector-producer in Schrader Bluff The foregoing was recognized as the best readily available opportunity for significant investment by the US Department of Energy and the field operator Hilcorp Alaska LLC to conduct the first ever field scale experiment to test the polymer flooding technology to unlock the vast heavy oil resources on ANS. With this primary goal in mind, the research team embarked on a ~4.5 years long project that focused on the field polymer pilot complemented by supporting laboratory and simulation studies. As documented in this final report, over the course of the project, many lessons have been learned and valuable field and supporting laboratory data has been collected, which also is complemented by numerical reservoir simulations. We have been able to establish the injectivity of polymer solution, evidence of significant reduction in the water cut of previously waterflooded pattern, effective propagation of a hydrolyzed polyacrylamide (HPAM), benefits of low salinity water, provide practical guidance on handling of produced fluids containing breakthrough polymer, fit-for-purpose forecast-worthy history matched simulation model, polymer EOR benefit of 700-1000 bopd over waterflood, and most importantly a low polymer utilization factor of ~1.7 lb/stb. In summary this project is deemed as a scientific, technical and economic success, having met all objectives, fulfilled deliverables and within budget, providing impetus to apply polymer EOR throughout the Milne Point Field paving the way for even heavier viscosity oils in the Ugnu area, eventually extending the economic life of TAPS.

02 PETROLEUM↗
DOE OSTI2023

Improving Momentum Transport Processes in E3SM (Final Progress Report)

This proposal aims to improve the representation of subgrid-scale momentum transport processes and reduce biases in surface wind stresses and precipitation patterns in E3SM by improving the parameterization of convective momentum transport within the deep convection scheme, and (b) improving the representation of the quasi-biennial oscillation (QBO) by modifying the source spectrum parameterization of convectively generated gravity waves. Weather Research and Forecasting (WRF) model simulations will be used to verify the momentum transport parameterizations.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2023

Integrated Research Infrastructure Architecture Blueprint Activity (Final Report 2023)

The complexity of scientific pursuits is increasing rapidly with aspects that require dynamic integration of experiment, observation, theory, modeling, simulation, visualization, machine learning (ML), artificial intelligence (AI), and analysis. Research projects across the Department of Energy (DOE) are increasingly data and compute intensive. Innovative research teams are accelerating the pace of discovery by using high-performance computational and data tools in their research workflows and leveraging multiple research infrastructures. Additionally, several recent high-level U.S. government reports underscore the necessity of a new advanced computing ecosystem for international competitiveness and national security. International competitors are moving forward with major research infrastructure integration efforts that seek to capture a competitive advantage in the global innovation race. Owing to its unparalleled constellation of world-class experimental and observational facilities and high-performance and extreme-scale computational, data, and networking infrastructure, DOE is positioned to be a global leader in this new era of integrated science. However, this new integration paradigm will demand continuing evolution to ensure the U.S. remains a global leader in research and innovation. The DOE Office of Science (SC) has seized on the strategic importance of integration and has adopted a vision for Integrated Research Infrastructure (IRI): To empower researchers to meld DOE’s world-class research tools, infrastructure, and user facilities seamlessly and securely in novel ways to radically accelerate discovery and innovation. To respond to the evolving computational requirements of research and the competitive international innovation landscape, experimental facilities could be connected with high performance computing resources for near real-time analysis, and resources should be provided for merging enormous and diverse data for AI/ML techniques and analysis.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2021

Long-duration Energy Storage Technology Analysis and Development

This project develops a new low-cost and flexible long-duration energy storage (LDES) technology based on simultaneous regeneration technology. In lieu of the technology development, the project team also conducts a complete cost analysis for LDES based on various currently available technologies, as well as grid economic and environmental benefits analysis for LDES. There are three tasks in this project: Task 1. Fe-H2 flow cell fabrication, testing, demonstration; Task 2. Dynamic modeling, simulation and control architecture of power system; Task 3. Cost and grid analysis.

25 ENERGY STORAGE↗
DOE OSTI2023

Cyber Physical Subsystems under Adverse Conditions

The United States power grid is built upon complex cyber-physical systems (CPS), including many distributed energy resources (DERs) and microgrid structures. Due to cross-disciplinary domains that govern the interplay between cyber and physical technologies that sustain DERs, it is difficult to confidently predict how these systems will react under adverse conditions such as faults and cyberattacks. This project utilized power hardware in the loop (PHiL) to gain system behavior knowledge and robust understanding through experimentation and observational science. It also produced a large volume of datasets to feed into other efforts to advance high-fidelity model simulations and to support the design of novel control approaches.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2023

Subsurface Hydrogen Assessment, Storage, and Technology Acceleration (SHASTA) - Hydrogen Estimator for Logistical Planning (HELP) User’s Manual

This user’s manual describes version 1.0 of the SHASTA-HELP (Subsurface Hydrogen Assessment, Storage, and Technology Acceleration (SHASTA) - Hydrogen Estimator for Logistical Planning (HELP)) tool and provides instructions for use. The purpose of the SHASTA-HELP tool is to integrate the suite of tools developed by the SHASTA research team in a web-based framework for ease of access and more advanced, integrated analysis. This tool contains functionality for estimating the storage potential of pure and blended natural gas-hydrogen mixtures in various subsurface formations and is intended to be used for pre-characterization or site screening purposes. Detailed storage analysis should be conducted by full reservoir simulation models.

08 HYDROGEN↗