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At least 1,027 records · Page 57

BETO 2021 Peer Review - Analytical Development & Support WBS 2.5.1.101

The objective of the Analytical Development and Support (ADS) Project is to produce and maintain the critical analytical methods and tools that enable evaluation of emerging biofuels R&D at NREL and in the broader biofuels research community. Our project is divided into two tasks: one task to develop novel analytical techniques and improve existing methods and one task to maintain existing analytical capabilities at NREL and provide outreach to the wider community. The ADS Project is world-recognized for our Laboratory Analytical Procedures (LAPS) which provide detailed procedures for compositional analysis of biomass and have been adopted as the de facto standards within the biofuels community largely due to the transparency of the methods and the high reputation of NREL's research. Our dialog with stakeholders allows us to provide robust, precise, accurate, and publicly available analytical procedures for better valuation of scientific tools such as our recent accomplishment in developing a cellulose assay to support the EPA and industry in calculation of converted cellulose during starch ethanol production. We continue to develop analytical capabilities to support BETO's directives to research cost advantaged fuels such as animal wastes and novel bioproducts like 2,3-Butane-diol.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗

AGP-based unitary coupled cluster theory for quantum computers

Electronic structure methods typically benefit from symmetry breaking and restoration, specially in the strong correlation regime. Here, the same goes for ansätze on a quantum computer. We develop a unitary coupled cluster method based on the antisymmetrized geminal power (AGP)—a state formally equivalent to the number-projected Bardeen–Cooper–Schrieffer wavefunction. We demonstrate our method for the single-band Fermi–Hubbard Hamiltonian in one and two dimensions. We also explore post-selection as a state preparation step to obtain correlated AGP and prove that it scales no worse than O(√M) in the number of measurements, thereby making it a less expensive alternative to gauge integration to restore particle number symmetry.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Investigating Formal Methods Tools and their Applicability for Hardware Vulnerability Remediation

Formal methods use mathematical logic and equations to prove that a system or code is secure. In this poster, I examine existing formal methods tools and their application for projects working to remediate vulnerabilities in hardware and hardware description language. This poster is focused on the tools ReWire and AutoGenILA and I hope to evaluate their benefits and weaknesses with the intention of creating an internal report on the application and weaknesses of existing formal methods tools and identifying gaps for future formal methods tool creation.

97 - MATHEMATICS AND COMPUTING↗

Ultrasonic Measurements of Temperature Profile and Heat Fluxes in Coal-Fired Power Plants (Final Report)

Many industrial processes are inaccessible or inhospitable to characterization by traditional temperature measurement methods, such as thermocouples, especially over prolonged exposure to harsh environments. Ultrasound is an established characterization technology with diverse applications ranging from medical imaging to therapies to flaw detection to nondestructive evaluation. Ultrasound may characterize solid materials and components noninvasively as a nondestructive evaluation modality and obtain internal measurements of material properties. For example, the speed of ultrasound propagation changes with Young’s modulus and Poisson’s ratio, which can be found from its measurements. Traditional ultrasonic characterization assumes all material properties remain constant with the position. When this assumption holds, a property of interest may be measured by relating it to the speed of ultrasound propagation (or a speed of sound, SOS) and measuring the SOS by timing the ultrasound propagation through a known distance. However, when a property of interest is spatially distributed, the propagation time depends on the SOS changing with the position along the ultrasound propagation path. The multiple temperature distributions may lead to an identical time of flight (TOF). Temperature is one property that impacts the speed of ultrasound and often cannot be assumed to remain constant with the position. Previously, in the context of temperature, we addressed the challenge of ultrasonic characterization of spatially distributed properties by developing a method for measuring segmental temperature distributions (MSTD). This method divides the ultrasonic propagation into segments bound by echogenic features. These features provide ultrasonic interfaces where some energy is reflected toward the receiving transducer, and the rest continues through the medium. The time-of-flight between the echoes reflected from echogenic features characterizes the spatial distribution in the properties of interest in the corresponding segment of the ultrasonic propagation path. This project demonstrated the application of the MSTD method in industrial conditions of the coal-fired power plant. We implemented the MSTD using metals and alloys waveguides, which may be the existing structure for which the temperature distribution is characterized or purposefully designed waveguides added to the structure by welding or other means specifically to quantify thermal properties using the MSTD method. Previous iterations of the MSTD method used ceramic and cementitious waveguides, which significantly attenuate ultrasound. On the other hand, low attenuation in metallic waveguides creates interactions between echogenic features which compilates the signal analysis in the segmental TOF measurements. We have established the WG design principles that minimize the interferences between trailing and primary echoes and, in some cases, eliminate them. The waveguides in which echoes do not interfere improve the timing accuracy and the robustness of ultrasonic measurements of the spatial distributions in material properties. Our emphasis remained on the estimation of the temperature distributions. We have developed general recommendations for designing ultrasonically segmented waveguides with the reduced influence of trailing echoes. Two of our waveguide designs were tested in the industry. The first waveguide was designed for insertion into a combustion zone of the utility-scale coal-fired power plant boiler. The second design allows the characterization of temperature distribution in the direction normal to the boiler’s water wall, a large heat exchanger converting the chemical energy released during combustion to the steam driving the electrical power generation turbines. These waveguides were designed to operate within a restrictive space of thermally insulated water wall and incorporate densely located echogenic features while combatting the influence of trailing echoes. The project has successfully demonstrated the feasibility of using the developed method for accurate, continuous, and robust temperature measurements in extreme environments of power generation and other industrial processes. It, therefore, has achieved its overarching goal of advancing the technology readiness level of the novel Ultrasound Measurements of Segmental Temperature Distribution (US-MSTD) method for real-time measurements of the temperature distribution and heat fluxes closer to commercial availability, developing a prototype multipoint measurement system, and validating its performance on coal-fired utility boilers. The success of this project was achieved in collaboration with the power generator, Rocky Mountain Power, and set the stage for the transfer of this technology from the laboratory to the industry.

01 COAL, LIGNITE, AND PEAT↗

NPCC4: New York City Climate Risk Information 2022—Observations and Projections

New York City (NYC) faces many challenges in the coming decades due to climate change and its interactions with social vulnerabilities and uneven urban development patterns and processes. This New York City Panel on Climate Change (NPCC) report contributes to the Panel’s mandate to advise the city on climate change and provide timely climate risk information that can inform flexible and equitable adaptation pathways that enhance resilience to climate change. This report presents up-to-date scientific information as well as updated sea level rise projections of record. We also present a new methodology related to climate extremes and describe new methods for developing the next generation of climate projections for the New York metropolitan region. Future work by the Panel should compare the temperature and precipitation projections presented in this report with a subset of models to determine the potential impact and relevance of the “hot model” problem. NPCC4 expects to establish new projections-of-record for precipitation and temperature in 2024 based on this comparison and additional analysis. Nevertheless, the temperature and precipitation projections presented in this report may be useful for NYC stakeholders in the interim as they rely on the newest generation of global climate models.

NPCC4↗

Collaborative Research: Polymer Macrocycles: A novel topology to control dynamics of rubbery materials

Understanding the dynamics of polymers of different topologies is an important field of study and one of the most important unanswered questions in this field is "how do circular polymers move," particularly in the melt state. New information suggests that molecular topology, specifically circular rings, impacts the response of materials in nanometer- scale confinement. The work performed here tackles these subjects through a collaboration in which specialists in polymer synthesis, polymer rheology and scattering methods, and in the physics of nanoconfinement work together to investigate the thermophysical behavior of circular macromolecules. The project goals are to use a novel synthesis method of "green" oxidative polymerization to produce high purity macrocycles and to investigate their linear viscoelastic behavior in order to fully characterize the dynamics of circular macromolecules to sizes that correspond to linear molecule entanglement densities higher than previously obtainable with synthetic polymers. Chemical chain end characterization and critical edge fractionation coupled with direct visualization of the prepared polymers through the use of polymer amplification methods are proposed in order to quantify the numbers of circular and linear molecules in each sample. The study of the linear viscoelastic response of blends of linear and circular molecules is also to be undertaken in the project. Nonlinear viscoelastic measurements, including extensional viscosity, are to be made. Strong differences in behavior between linear chains and circular ones also provides an important opportunity for new technology to break the "magic triangle" for tires: it is believed that improving one of the three key attributes - traction, wear, rolling resistance - necessarily sacrifices at least one of the others. Rubber made from cyclic polymers has the potential to break out of this triangle by reducing the so-called Payne effect in reinforced rubbers because circular macromolecules are less sensitive to nanoconfinement than their linear counterparts. The work has as one objective to characterize the impact of nanoconfinement on the behavior of large circular macromolecules. In addition, the dynamics of carbon black filled circular macromolecules are to be studied to test the hypothesis that the resulting rubbery materials will exhibit a reduced Payne effect.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

Ground Plane and Near-Surface Thermal Analysis for NASA's Constellation Program

Most spacecraft thermal analysis tools assume that the spacecraft is in orbit around a planet and are designed to calculate solar and planetary fluxes, as well as radiation to space. On NASA Constellation projects, thermal analysts are also building models of vehicles in their pre-launch condition on the surface of a planet. This process entails making some modifications in the building and execution of a thermal model such that the radiation from the planet, both reflected albedo and infrared, is calculated correctly. Also important in the calculation of pre-launch vehicle temperatures are the natural environments at the vehicle site, including air and ground temperatures, sky radiative background temperature, solar flux, and optical properties of the ground around the vehicle. A group of Constellation projects have collaborated on developing a cohesive, integrated set of natural environments that accurately capture worst-case thermal scenarios for the pre-launch and launch phases of these vehicles. The paper will discuss the standardization of methods for local planet modeling across Constellation projects, as well as the collection and consolidation of natural environments for launch sites. Methods for Earth as well as lunar sites will be discussed.

Gasbarre, Joseph F.↗

Development and Field Testing Novel Natural Gas Surface Process Equipment for Replacement of Water as Primary Hydraulic Fracturing Fluid (Final Report)

Southwest Research Institute® (SwRI ® ), Schlumberger Technology Corporation (SLB), and Chevron Corporation ® (Chevron) developed a novel, optimized, and lightweight process for natural gas (NG) to replace water as a low-cost fracturing medium with a low environmental impact. Hydraulic fracturing is used to increase oil and NG production by injecting high-pressure fluid, primarily water, into a rock formation, which fractures the rock and releases trapped oil and NG. This method was developed to increase yield and make feasible production areas that would not otherwise be viable for large-scale oil and NG extraction using traditional drilling technologies. Since the fracturing fluid is composed of approximately 90% water, one of the principal drawbacks to hydraulic fracturing is its excessive water use and associated large environmental footprint. According to recent data collected at fracture sites within the United States, fracturing applications in North America can consume as much as 9 million gallons of water per well. During the fracturing process, some of the fracturing fluid is permanently lost and the portion that is recovered is contaminated by both fracturing chemicals and dissolved solids from the formation. The recovered water or flow-back represents a significant environmental challenge, as it must be treated before it can be reintroduced into the natural water system. Although there is some recycling for future fracturing, the majority of the flow-back water is hauled from the well site to a treatment facility or to an injection well for permanent underground disposal. To mitigate these issues, an optimized, lightweight and modular surface process using NG to replace a majority of the water was developed as a cost-effective and environmentally clean fracturing fluid. Using NG will result in significantly less consumption since the gas that is injected as a fracturing fluid will be mixed with the formation gas and extracted as if it were from the formation itself. This process will minimize the collection, waste, and treatment of large amounts of water and will reduce the environmental impact of transporting and storing the fracturing fluid. There are two major steps involved in utilizing NG as the primary fracturing medium: (1) increasing the supply pressure of NG to wellhead pressures suitable for fracturing and (2) mixing the required chemicals and proppant needed for the fracturing process at these elevated pressures. The second step (NG-proppant mixing at elevated pressures) still requires demonstration; but very similar processes have been demonstrated in the field with other gases such as nitrogen (N 2 ) and carbon dioxide (CO 2 ). However, the first step (a compact, on-site unit for generating high-pressure NG at costs feasible for fracturing) has not been developed and is currently not commercially available. Due to the inherent compressibility of NG, more energy is required to compress the gas than what is required to pump water (or other incompressible liquids) to the very high pressure required for downhole injection. This project aimed to develop a novel, hybrid method to overcome this challenge. The project accomplishments and findings are discussed in this report. Ultimately, the research and development efforts described herein demonstrate that fracturing with NG foam is a feasible alternative to using water.

02 PETROLEUM↗

Hybrid Al Casting + AM Components for Automotive Applications

Although casting Aluminum (Al) alloys is widely used for automotive application, the conventional casting process is showing limitations for modern vehicle production. A hybrid manufacturing method that is capable of fabricating automotive structures with tailored functionality and tuned attributes at a high production rate is proposed in this project, utilizing the merits of conventional casting methods and additive manufacturing (AM) methods. Ford is interested in supplementing conventional casting processes (e.g., shape casting, high pressure die casting) with local modifications to geometry and microstructure using additive manufacturing techniques. Two additive manufacturing methods, wire-arc and laser hot-wire directed energy deposition AM process, were evaluated by deposition of 4043 filler wire onto high-pressure die cast and permanent mold cast Al-Si alloys. The feasibility of this hybrid manufacturing method was determined through trial deposition and evaluation of defects, microstructure, and mechanical properties. Laser hot-wire deposition was found to be beneficial for this application with low porosity, a refined microstructure, and mechanical properties similar to those reported in the literature for 4043. The mechanical properties of the interface between the A356 casting and deposited 4043 were found to be controlled by the weaker deposit material.

36 MATERIALS SCIENCE↗

Algorithms and file structures to enhance software workflows for ion mobility mass spectrometry (IM-MS): CRADA 410 (Final Report)

This document is the final report for CRADA 410 (Project No. 72496). The purpose of this project was supporting customizations of algorithms and raw data file structures to enhance software workflows for liquid chromatography (LC), mass spectrometry (MS) and ion mobility mass spectrometry (IM-MS)-based metabolite characterization. PNNL worked with Agilent to evaluate and improve the integration of ion mobility into existing MS data analysis methods of Agilent software tools. The project augmented PNNL’s capabilities to analyze complex omics samples. These capabilities are directly beneficial to DOE and PNNL efforts to characterize and analyze compounds in microbial and plant communities. The project assisted Agilent in further developing improved instrument-software solutions combining ion mobility with mass spectrometry for widespread applications in life sciences and other fields.

97 MATHEMATICS AND COMPUTING↗

Managing Ada development

The Ada programming language was developed under the sponsorship of the Department of Defense to address the soaring costs associated with software development and maintenance. Ada is powerful, and yet to take full advantage of its power, it is sufficiently complex and different from current programming approaches that there is considerable risk associated with committing a program to be done in Ada. There are also few programs of any substantial size that have been implemented using Ada that may be studied to determine those management methods that resulted in a successful Ada project. The items presented are the author's opinions which have been formed as a result of going through an experience software development. The difficulties faced, risks assumed, management methods applied, and lessons learned, and most importantly, the techniques that were successful are all valuable sources of management information for those managers ready to assume major Ada developments projects.

Green, James R.↗

Core Mass Estimates in Strong Lensing Galaxy Clusters Using a Single-halo Lens Model

The core mass of galaxy clusters is an important probe of structure formation. Here we evaluate the use of a single-halo model (SHM) as an efficient method to estimate the strong lensing cluster core mass, testing it with ray-traced images from the Outer Rim simulation. Unlike detailed lens models, the SHM represents the cluster mass distribution with a single halo and can be automatically generated from the measured lensing constraints. In this work we find that the projected core mass estimated with this method, $M_{\text{SHM}}$, has a scatter of 8.52% and a bias of 0.90% compared to the "true" mass within the same aperture. Our analysis shows no systematic correlation between the scatter or bias and the lens-source system properties. The bias and scatter can be reduced to 3.26% and 0.34%, respectively, by excluding models that fail a visual inspection test. We find that the SHM success depends on the lensing geometry, with single giant arc configurations accounting for most of the failed cases due to their limiting constraining power. When excluding such cases, we measure a scatter and bias of 3.88% and 0.84%, respectively. Finally, we find that when the source redshift is unknown, the model-predicted redshifts are overestimated, and the $M_{\text{SHM}}$ is underestimated by a few percent, highlighting the importance of securing spectroscopic redshifts of background sources. Our analysis provides a quantitative characterization of $M_{\text{SHM}}$, enabling its efficient use as a tool to estimate the strong lensing cluster core masses in the large samples, expected from current and future surveys.

79 ASTRONOMY AND ASTROPHYSICS↗

Second Generation RLV Space Vehicle Concept

NASA has a long history of conducting development programs and projects in a consistent fashion. Systems Engineering within those programs and projects has also followed a given method outlined by such documents as the NASA Systems Engineering Handbook. The relatively new NASA Space Launch Initiative (SLI) is taking a new approach to developing a space vehicle, with innovative management methods as well as new Systems Engineering processes. With the program less than a year into its life cycle, the efficacy of these new processes has yet to be proven or disproven. At $776M for phase 1, SLI represents a major portion of the NASA focus; however, the new processes being incorporated are not reflected in the training provided by NASA to its engineers. The NASA Academy of Program and Project Leadership (APPL) offers core classes in program and project management and systems engineering to NASA employees with the purpose of creating a "knowledge community where ideas, skills, and experiences are exchanged to increase each other's capacity for strong leadership". The SLI program is, in one sense, a combination of a conceptual design program and a technology program. The program as a whole doesn't map into the generic systems engineering project cycle as currently, and for some time, taught. For example, the NASA APPL Systems Engineering training course teaches that the "first step in developing an architecture is to define the external boundaries of the system", which will require definition of the interfaces with other systems and the next step will be to "define all the components that make up the next lower level of the system hierarchy" where fundamental requirements are allocated to each component. Whereas, the SLI technology risk reduction approach develops architecture subsystem technologies prior to developing architectures. The higher level architecture requirements are not allowed to fully develop and undergo decomposition and allocation down to the subsystems before the subsystems must develop allocated requirements based on the highest level of requirements. In the vernacular of the project cycles prior to the mid 1990's, the architecture definition portion of the program appears to be at a generic Phase A stage, while the subsystems are operating at Phase B. Even the management structure of the SLI program is innovative in its approach to Systems Engineering and is not reflected in the APPL training modules. The SLI program has established a Systems Engineering office as an office separate from the architecture development or the subsystem technology development, while that office does have representatives within these other offices. The distributed resources of the Systems Engineering Office are co-located with the respective Project Offices. This template is intended to provide systems engineering as an integrated function at the Program Level. the program management of SLI and the MAT agree that "program/project managers and the systems engineering team must work closely together towards the single objective of delivering quality products that meet the customer needs". This paper will explore the differences between the methods being taught by NASA, which represent decades of ideas, and those currently in practice in SLI. Time will tell if the innovation employed by SLI will prove to be the model of the future. For now, it is suggested that the training of the present exercise the flexibility of recognizing the new processes employed by a major new NASA program.

Bailey, Michelle↗

Simulating the Clamped Tapered Beam Specimen Under Quasi-Static and Fatigue Loading Using Floating Node Method

As part of the NASA Advanced Composites Project (ACP), a sub-element has been designed to provide validation data for progressive damage analysis models. The clamped tapered beam is a cross-ply laminated composite specimen designed to validate the simulation of the onset of matrix cracks and their interaction with delaminations, including delamination migration. A tapered geometry was used to localize the first damage occurrence in the tapered region, without prescribing an initial crack. The boundary and loading conditions were chosen to favor delamination growth and subsequent migration after the first damage occurrence. The typical sequence of events consists of a matrix crack located at the tapered region, leading to delamination onset, followed by delamination growth and subsequent delamination migration to a different interface via a dominant matrix crack. The Clamped Tapered Beam (CTB) was tested in both quasi-static and fatigue regimes. The results obtained are used in this study to assess and validate a methodology based on the Floating Node Method (FNM) implemented as an Extended Interface Element. In this methodology, quasi-static and fatigue damage formation and development are modeled by combining FNM to represent crack networks, with Directional Cohesive Zone Elements (DCZE) and Virtual Crack Closure Technique (VCCT), respectively. Qualitatively, the methodology is capable of predicting the sequence of events and overall failure morphology. Quantitatively, the simulation results generally bound the experimental data, based on the range of the characterization data used. In this paper, the results from quasi static and fatigue simulations are compared and correlated with experimental data.

Seshadri, B. R.↗

Climate-driven deterioration of future ozone pollution in Asia predicted by machine learning with multi-source data

Ozone (O 3 ) is a secondary pollutant in the atmosphere formed by photochemical reactions that endangers human health and ecosystems. O 3 has aggravated in Asia in recent decades and will vary in the future. In this study, to quantify the impacts of future climate change on O 3 pollution, near-surface O 3 concentrations over Asia in 2020–2100 are projected using a machine learning (ML) method along with multi-source data. The ML model is trained with combined O 3 data from a global atmospheric chemical transport model and real-time observations. The ML model is then used to estimate future O 3 with meteorological fields from multi-model simulations under various climate scenarios. The near-surface O 3 concentrations are projected to increase by 5 %–20 % over South China, Southeast Asia, and South India and less than 10 % over North China and the Gangetic Plains under the high-forcing scenarios in the last decade of 21st century, compared to the first decade of 2020–2100. The O 3 increases are primarily owing to the favorable meteorological conditions for O 3 photochemical formation in most Asian regions. We also find that the summertime O 3 pollution over eastern China will expand from North China to South China and extend into the cold season in a warmer future. Our results demonstrate the important role of a climate change penalty on Asian O 3 in the future, which provides implications for environmental and climate strategies of adaptation and mitigation.

54 ENVIRONMENTAL SCIENCES↗

Data Quality of Salt Property Measurements

Data quality is a key element to assessing technical uncertainties in property values of salt mixtures that are pivotal in molten salt reactor (MSR) design and safety assessments under both normal operating conditions and accident scenarios. Key properties for the salt mixtures being evaluated for use in MSRs have not been measured and the few values for relevant salt compositions available in the literature are inconsistent and not suitable for use in licensing. The applications of established techniques commonly used for property measurements to molten salts are still experimental in nature and vetted consensus standards are not yet available. Work is in progress to develop and standardize methods through DOE and commercially funded projects. The quality of measured property values limits the current ability to reliably design equipment and model normal MSR operation and the effects of operational upsets. Insights from experimental measurements pertinent to reducing technical uncertainty for regulatory development are summarized in this report. Quality controls are recommended for key properties based on the mathematical calculations used to derive property values and methods used to measure experimental values and salt produced for use in the measurements.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

Perturbative Quantum Monte Carlo Method for Nuclear Physics

While first order perturbation theory is routinely used in quantum Monte Carlo (QMC) calculations, higher-order terms present significant numerical challenges. We present a new approach for computing perturbative corrections in projection QMC calculations. Here we demonstrate the method by computing nuclear ground state energies up to second order for a realistic chiral interaction. We calculate the binding energies of several light nuclei up to 16 O by expanding the Hamiltonian around the Wigner SU(4) limit and find good agreement with data. In contrast to the natural ordering of the perturbative series, we find remarkably large second-order energy corrections. This occurs because the perturbing interactions break the symmetries of the unperturbed Hamiltonian. Our method is free from the sign problem and can be applied to QMC calculations for many-body systems in nuclear physics, condensed matter physics, ultracold atoms, and quantum chemistry.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Communications Related to Weather Information Handling and Dissemination

This report summarizes the tasking contained in the Statement of Work and describes the results of the project. In addition, it addresses the principles, procedures, and methods of application that would be generally applicable to using the results of the project. NASA Glenn Research Center (GRC) is involved in the Aviation Weather Information (AWIN) Program, which has a goal of reducing the aircraft accident rate, by a factor of five within 10 years and by a factor of 10 within 20 years. GRC's effort concentrates on the communications means needed to disseminate effective weather data. GRC's focus in on developing new technologies and techniques to support the digital communication of weather information between airborne and ground-based users.

Dhas, Chris↗