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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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At least 595 records · Page 33
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

Challenges and opportunities in verification and validation of low temperature plasma simulations and experiments

This paper describes the verification and validation (V&V) framework developed for the stochastic Particle-in-Cell, Direct Simulation Monte Carlo code Aleph. An ideal framework for V&V from the viewpoint of the authors is described where a physics problem is defined, and relevant physics models and parameters to the defined problem are assessed and captured in a Phenomena Identification and Ranking Table (PIRT). Furthermore, numerous V&V examples guided by the PIRT for a simple gas discharge are shown to demonstrate the V&V process applied to a real-world simulation tool with the overall goal to demonstrably increase the confidence in the results for the simulation tool and its predictive capability. Although many examples are provided here to demonstrate elements of the framework, the primary goal of this work is to introduce this framework and not to provide a fully complete implementation, which would be a much longer document. Comparisons and contrasts are made to more usual approaches to V&V, and techniques new to the low-temperature plasma community are introduced. Specific challenges relating to the sufficiency of available data (e.g., cross sections), the limits of ad hoc validation approaches, the additional difficulty of utilizing a stochastic simulation tool, and the extreme cost of formal validation are discussed.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2023

Mass Spectrometry–Based Proteogenomics: New Therapeutic Opportunities for Precision Medicine

Proteogenomics refers to the integration of comprehensive genomic, transcriptomic, and proteomic measurements from the same samples with the goal of fully understanding the regulatory processes converting genotypes to phenotypes, often with an emphasis on gaining a deeper understanding of disease processes. Although specific genetic mutations have long been known to drive the development of multiple cancers, gene mutations alone do not always predict prognosis or response to targeted therapy. The benefit of proteogenomics research is that information obtained from proteins and their corresponding pathways provides insight into therapeutic targets that can complement genomic information by providing an additional dimension regarding the underlying mechanisms and pathophysiology of tumors. This review describes the novel insights into tumor biology and drug resistance derived from proteogenomic analysis while highlighting the clinical potential of proteogenomic observations and advances in technique and analysis tools.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2020

Atmospheric Convection and Air–Sea Interactions over the Tropical Oceans: Scientific Progress, Challenges, and Opportunities

Over the past thirty years, the scientific community has made considerable progress in understanding and predicting tropical convection and air-sea interactions, thanks to sustained investments in extensive in-situ and remote sensing observations, targeted field experiments, advances in numerical modeling, and vastly improved computational resources and observing technologies. Those investments would not have been fruitful as isolated advancements without the collaborative effort of the atmospheric convection and air-sea interaction research communities. In this spirit, a U.S. and International CLIVAR-sponsored workshop on “Atmospheric convection and air-sea interactions over the tropical oceans” was held May 7-9, 2019 in Boulder, CO. The 90 participants were observational and modeling experts from the atmospheric convection and air-sea interactions communities with varying degrees of experience, from early-career researchers and students to senior scientists.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2025

Interregional Electricity Transmission in the United States: Realized Savings and Opportunities for Increased Value, 2014 to 2023

Interregional electricity trade in the United States reduces total energy costs, but falls short of maximizing the economic potential of existing transmission infrastructure. This analysis of thirty-two U.S. electricity system interfaces crossing grid or market seams finds an average achieved cost savings of at least $1,226 million per year. This positive impact is offset by an average annual cost of uneconomic interchange of $551 million. Additional value of at least $238 million per year could be enabled by increasing utilization. Notably, uneconomic flows and low utilization rates can persist even when the price spread between regions is large. These conclusions are derived from historical (2014–2023) data on the magnitude and direction of interregional price spreads, the magnitude and direction of net energy transfers, and how these variables coincide, but do not account for all system constraints. These findings motivate the development and deployment of solutions that improve interregional transmission operations, in parallel with robust transmission infrastructure planning. JEL Classification: Q40 Energy: General

Q40 Energy: General↗
DOE OSTI2020

Opportunities for and challenges to further reductions in the “specific power” rating of wind turbines installed in the United States

A wind turbine’s “specific power” rating relates its capacity to the swept area of its rotor in terms of Watt per square meter. For a given generator capacity, specific power declines as rotor size increases. In land-rich but capacity-constrained wind power markets, such as the United States, developers have an economic incentive to maximize megawatt-hours per constrained megawatt, and so have favored turbines with ever-lower specific power. To date, this trend toward lower specific power has pushed capacity factors higher while reducing the levelized cost of energy. We employ geospatial levelized cost of energy analysis across the United States to explore whether this trend is likely to continue. We find that under reasonable cost scenarios (i.e. presuming that logistical challenges from very large blades are surmountable), low-specific-power turbines could continue to be in demand going forward. Beyond levelized cost of energy, the boost in market value that low-specific-power turbines provide could become increasingly important as wind penetration grows.

geospatial modeling↗
DOE OSTI2025

Asynchronous-many-task systems: Challenges and opportunities - Scaling an AMR astrophysics code on exascale machines using Kokkos and HPX

Dynamic and adaptive mesh refinement is pivotal in high-resolution, multi-physics, multi-model simulations, necessitating precise physics resolution in localized areas across expansive domains. Today’s supercomputers’ extreme heterogeneity presents a significant challenge for dynamically adaptive codes, highlighting the importance of achieving performance portability at scale. Our research focuses on astrophysical simulations, particularly stellar mergers, to elucidate early universe dynamics. Here, we present Octo-Tiger, leveraging Kokkos, HPX, and SIMD for portable performance at scale in complex, massively parallel adaptive multi-physics simulations. Octo-Tiger supports diverse processors, accelerators, and network backends. Experiments demonstrate exceptional scalability across several heterogeneous supercomputers including Perlmutter, Frontier, and Fugaku, encompassing major GPU architectures and x86, ARM, and RISC-V CPUs. Parallel efficiency of 47.59% (110,080 cores and 6880 hybrid A100 GPUs) on a full-system run on Perlmutter (26% HPCG peak performance) and 51.37% (using 32,768 cores and 2048 MI250X) on Frontier are achieved.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2022

Techno-economic assessment for the production of algal fuels and value-added products: opportunities for high-protein microalgae conversion

Abstract Background Microalgae possess numerous advantages for use as a feedstock in producing renewable fuels and products, with techno-economic analysis (TEA) frequently used to highlight the economic potential and technical challenges of utilizing this biomass in a biorefinery context. However, many historical TEA studies have focused on the conversion of biomass with elevated levels of carbohydrates and lipids and lower levels of protein, incurring substantial burdens on the ability to achieve high cultivation productivity rates relative to nutrient-replete, high-protein biomass. Given a strong dependence of algal biomass production costs on cultivation productivity, further TEA assessment is needed to understand the economic potential for utilizing potentially lower-cost but lower-quality, high-protein microalgae for biorefinery conversion. Results In this work, we conduct rigorous TEA modeling to assess the economic viability of two conceptual technology pathways for processing proteinaceous algae into a suite of fuels and products. One approach, termed mild oxidative treatment and upgrading (MOTU), makes use of a series of thermo-catalytic operations to upgrade solubilized proteins and carbohydrates to hydrocarbon fuels, while another alternative focuses on the biological conversion of those substrates to oxygenated fuels in the form of mixed alcohols (MA). Both pathways rely on the production of polyurethanes from unsaturated fatty acids and valorization of unconverted solids for use as a material for synthesizing bioplastics. The assessment found similar, albeit slightly higher fuel yields and lower costs for the MA pathway, translating to a residual solids selling price of $899/ton for MA versus $1033/ton for MOTU as would be required to support a $2.50/gallon gasoline equivalent (GGE) fuel selling price. A variation of the MA pathway including subsequent upgrading of the mixed alcohols to hydrocarbon fuels (MAU) reflected a required solids selling price of $975/ton. Conclusion The slight advantages observed for the MA pathway are partially attributed to a boundary that stops at oxygenated fuels versus fungible drop-in hydrocarbon fuels through a more complex MOTU configuration, with more comparable results obtained for the MAU scenario. In either case, it was shown that an integrated algal biorefinery can be economical through optimal strategies to utilize and valorize all fractions of the biomass.

09 BIOMASS FUELS↗
DOE OSTI2022

Analyzing Stochastic Computer Models: A Review with Opportunities

In modern science, computer models are often used to understand complex phenomena and a thriving statistical community has grown around analyzing them. This review aims to bring a spotlight to the growing prevalence of stochastic computer models-providing a catalogue of statistical methods for practitioners, an introductory view for statisticians (whether familiar with deterministic computer models or not), and an emphasis on open questions of relevance to practitioners and statisticians. Gaussian process surrogate models take center stage in this review, and these, along with several extensions needed for stochastic settings, are explained. The basic issues of designing a stochastic computer experiment and calibrating a stochastic computer model are prominent in the discussion. Instructive examples, with data and code, are used to describe the implementation of, and results from, various methods.

agent based model↗
DOE OSTI2020

Building high throughput permissioned blockchain fabrics: challenges and opportunities

Since the introduction of Bitcoin---the first widespread application driven by blockchains---the interest in the design of blockchain-based applications has increased tremendously. At the core of these applications are consensus protocols that securely replicate client requests among all replicas, even if some replicas are Byzantine faulty. Unfortunately, these consensus protocols typically have low throughput, and this lack of performance is often cited as the reason for the slow wider adoption of blockchain technology. Consequently, many works focus on designing more efficient consensus protocols to increase throughput of consensus. We believe that this focus on consensus protocols only explains part of the story. To investigate this belief, we raise a simple question: Can a well-crafted system using a classical consensus protocol outperform systems using modern protocols? In this tutorial, we answer this question by diving deep into the design of blockchain systems. Further, we take an in-depth look at the theory behind consensus, which can help users select the protocol that best-fits their requirements. Finally, we share our vision of high-throughput blockchain systems that operate at large scales.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2022

The CALPHAD approach for HEAs: Challenges and opportunities

Phases are key microstructural features that determine material properties. The most intuitive way of representing phase stability in a material is by its phase diagram. The vastness of the composition space is the most compelling reason for investigating high-entropy alloys (HEAs), but it also creates major challenges in controlling phases and microstructures of HEAs due to lack of experimental phase diagrams in highly concentrated multicomponent space. The CALPHAD (Calculation of Phase Diagram) approach, although it needs improvements, is the only viable way to calculate multicomponent phase diagrams. The two major property databases in CALPHAD, Gibbs energy and mobility, when coupled, can provide not only the equilibrium phase information, but also information about diffusion and kinetics. In this article, we will review the use of the CALPHAD approach in understanding phase stability and diffusion in high-entropy alloys. Finally, we will discuss the notable trend of coupling the high-throughput CALPHAD approach with machine learning in HEA design.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Materials scarcity during the clean energy transition: Myths, challenges, and opportunities

Abstract Efforts to reach net zero targets by the second half of the century will have profound materials supply implications. The anticipated scale and speed of the energy transition in both transportation and energy storage raises the question of whether we risk running out of the essential critical materials needed to enable this transition. Early projections suggest that disruptions are likely to occur in the short term for select critical materials, but at the same time these shortages provide a powerful incentive for the market to respond in a variety of ways before supply-level stress becomes dire. In April 2023, the MRS Focus on Sustainability subcommittee sponsored a panel discussion on the role of innovation in materials science and engineering in supporting supply chains for clean energy technologies. Drawing on examples from the panel discussion, this perspective examines the myth of materials scarcity, explains the compelling need for innovation in materials in helping supply chains dynamically adapt over time, and illustrates how the Materials Research Society is facilitating engagement with industry to support materials innovation, now and in the future. Graphical Abstract Highlights In this commentary, we examine the myth of materials scarcity, explain the compelling need for innovation in materials in helping supply chains dynamically adapt over time, and show how the materials research community can effectively engage with industry, policymakers, and funding agencies to drive the needed innovation in critical areas. Discussion Demand for certain materials used in clean energy technologies is forecasted to increase by multiples of current production over the next decades. This has drawn attention to supply chain risks and has created a myth that we will “run out” out of certain materials during the energy transition. The reality is that markets have multiple mechanisms to adapt over the long-term, and near-term shortages or expectations of shortages provide a powerful incentive for action. In this commentary, we highlight different ways materials innovation can help solve these issues in the near term and long term, and how the materials research community can effectively engage with industry and policymakers.

Ku, Anthony Y. (ORCID:0000000337622914)↗
DOE OSTI2020

New Opportunities to Study Earthquake Precursors

The topic of earthquake prediction has a long history, littered with failed attempts. Part of the challenge is that possible precursory signals are usually reported after the event, and the systematic relationships between potential precursors and main events, should they exist, are unclear. Furthermore, several recent studies have shown the potential of new approaches to simultaneously detect earthquake foreshocks and slow-slip phenomena through ground deformation, seismic, and gravitational transients—weeks to months before large subduction zone earthquakes. The entire international community of earthquake researchers should be engaged in deploying instrumentation, sharing data in real time, and improving physical models to resolve the extent to which slow slip events and earthquake swarms enhance the likelihood (or not) for later, larger earthquakes.

58 GEOSCIENCES↗
DOE OSTI2021

nuSTORM Accelerator Challenges and Opportunities

The nuSTORM facility uses a stored muon beam to generate a neutrino source. Muons are captured and stored in a storage ring using stochastic injection. The facility will aim to measure neutrino-nucleus scattering cross-sections with uniquely well-characterized neutrino beams; to facilitate the search for sterile neutrino and other Beyond Standard Model processes with exquisite sensitivity, and to provide a muon source that makes an excellent technology test-bed required for the development of muon beams capable of serving as a multi-TeV collider. In this paper, we describe the latest status of the development of nuSTORM, the R&D needs, and the potential for nuSTORM as a Muon Collider test facility.

43 PARTICLE ACCELERATORS↗
DOE OSTI2022

Opportunities for inclusive diffraction at EIC

The possibilities for inclusive diffraction in the Electron Ion Collider, EIC, in the US, are analyzed. We find that thanks to the excellent forward proton tagging, the EIC will be able to access a wider kinematical range of longitudinal momentum fraction and momentum transfer of the leading proton than at HERA. This opens up the possibility to measure subleading diffractive exchanges. The extended t-range would allow the precise extraction of 4-dimensional reduced cross section in diffraction. In addition, the varying beam energy setups at the EIC would allow for precise measurements of the longitudinal diffractive structure function.

Slominski, Wojtek↗