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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 343 records · Page 19

Efficient GPU Implementation of Automatic Differentiation for Computational Fluid Dynamics

Many scientific and engineering applications require repeated calculations of derivatives of output functions with respect to input parameters. Automatic Differentiation (AD) is a method that automates derivative calculations and can significantly speed up code development. In Computational Fluid Dynamics (CFD), derivatives of flux functions with respect to state variables (Jacobian) are needed for efficient solutions of the nonlinear governing equations. AD of flux functions on graphics processing units (GPUs) is challenging as flux computations involve many intermediate variables that create high register pressure and require significant memory traffic because of the need to store the derivatives. This paper presents a forward-mode AD method based on multivariate dual numbers that addresses these challenges and simultaneously reduces the floating-point operation count. The dimension of the multivariate dual numbers is optimized for performance. The flux computations are restructured to minimize the number of temporary variables and reduce register pressure. For effective utilization of memory bandwidth, shared memory is used to store the local flux Jacobian. This AD implementation is compared with several other Jacobian implementations on an NVIDIA V100 GPU (V100). For three-dimensional perfect-gas compressible-flow equations implemented in a practical CFD code, the AD implementation of a flux Jacobian based on multivariate dual numbers of dimension 5 outperforms all other GPU AD implementations on V100. Its performance is comparable with the optimized hand-differentiated version. Finally, the implementation achieves 75% of the peak floating-point throughput and 61 % of the peak global device memory bandwidth usage.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

Evaluating Offshore Infrastructure Integrity

Drilling in the offshore environment involves a complex network of infrastructure including pipelines, platforms, rigs, subsea installations, ports, and terminals. Government and industry partners have developed this network over many decades and it remains a critical part of the United States (U.S.) energy portfolio. Many of the major components of this system have been designed with a 20- to 30-year lifespan, yet consistent and growing energy demands support the need to extend the design life of existing infrastructure or repurpose it for secondary needs (i.e. enhanced oil recovery, carbon storage, and new wells). As a result, a growing portion of the offshore infrastructure in the U.S. is approaching or has exceeded its original design life. A critical step in ensuring the continued safe and effective operation of offshore infrastructure is developing a comprehensive understanding of the state of offshore infrastructure and the factors that effect it. The purpose of this project is to assess the current state of existing infrastructure and identify the factors involved in infrastructure degradation through the development and application of big data analytics, machine learning, and advanced spatio-temporal analysis. The project leverages existing data at NETL and combines it with new information on offshore oil and gas structures and the ambient offshore environment in an effort to identify patterns associated with infrastructure integrity. Building on the identified trends and patterns, this project incorporates exploratory analytics and spatial analysis tools in conjunction with machine learning and statistical models to characterize the condition of existing platforms in the offshore environment and predict their risk of failure.

02 PETROLEUM↗

Risk as a Resource - A New Paradigm

NASA must change dramatically because of the current United States federal budget climate. The American people and their elected officials have mandated a smaller, more efficient and effective government. For the past decade, NASA's budget had grown at or slightly above the rate of inflation. In that era, taking all steps to avoid the risk of failure was the rule. Spacecraft development was characterized by extensive analyses, numerous reviews, and multiple conservative tests. This methodology was consistent with the long available schedules for developing hardware and software for very large, billion dollar spacecraft. Those days are over. The time when every identifiable step was taken to avoid risk is being replaced by a new paradigm which manages risk in much the same way as other resources (schedule, performance, or dollars) are managed. While success is paramount to survival, it can no longer be bought with a large growing NASA budget.

Risk Resource↗

Reinventing the International Space Station Payload Integration Processes and Capabilities

The fundamental ISS payload integration philosophy, processes and capabilities were established in the context of how NASA science programs were conducted and executed in the early 1990 s. Today, with the designation of the United States (US) portion of ISS as a National Lab, the ISS payload customer base is growing to include other government agencies, private and commercial research. The fields of research are becoming more diverse expanding from the NASA centric physical, materials and human research sciences to test beds for exploration and technology demonstration, biology and biotechnology, and as an Earth and Space science platform. This new customer base has a broader more diverse set of expectations and requirements for payload design, verification, integration, test, training, and operations. One size fits all processes are not responsive to this broader customer base. To maintain an organization s effectiveness it must listen to its customers, understand their needs, learn from its mistakes, and foster an environment of continual process improvement. The ISS Payloads office is evolving to meet these new customer expectations.

Jones, Rod↗

CubeSat Technology Past and Present: Current State-Of-The-Art Survey

A cube satellite (CubeSat) is an evolving and emerging technology that gives a novice or advanced researcher relatively affordable access to space research experiments and applications. The initial CubeSat standard was created in 1999 by California Polytechnic State University, San Luis Obispo and Stanford University’s Space Systems Development Lab to facilitate direct access to space for university students. This initial CubeSat standard has now been adopted by hundreds of organizations worldwide and includes not only universities, educational institutions, but private firms and government organizations. Dozens of CubeSats have been launched since 2003 and have come from more than 29 states in the United States. The CubeSat standard facilitates frequent and affordable access to space with launch opportunities available on most launch vehicles. CubeSats are a class of research spacecraft called nanosatellites and are built to standard CubeSat Units or U dimensions of 10 by 10 by 10 cm and are formally classified as 1U, 2U, 3U, or 6U in size. Most CubeSats are deployed from a Poly-Picosatellite Orbital Deployer called a P-POD. Partnerships among NASA, U.S. industry, and educational institutions are being formed to build upon existing successful CubeSat initiatives with a goal to expand and include launching 50 small satellites from 50 states within the next several years. An extensive and detailed literature review that includes over 830 citations has been conducted to provide a comprehensive resource on both NASA and non-NASA CubeSat experiments and applications that can serve as a guide for background information on CubeSats as well as a valuable resource of lessons learned from CubeSats that have been launched in the past. CubeSats are currently being launched from all over the world on different launch vehicle platforms. Some organizations providing launch opportunities are California Polytechnic State University (http://www.cubesat.org/contactus), ISISPACE Group (https://www.isispace.nl/), Nanoracks (http://nanoracks.com/), Spaceflight Industries, Inc. (http://spaceflight.com/), TriSept Corporation (https://trisept.com/), and Tyvak Nano-Satellite Systems, Inc. (https://www.tyvak.com/).

Cubesat↗

Food–Energy–Water Crises in the United States and China: Commonalities and Asynchronous Experiences Support Integration of Global Efforts

Food, energy, and water (FEW) systems have been recognized as an issue of critical global importance. Understanding the mechanisms that govern the FEW nexus is essential to develop solutions and avoid humanitarian crises of displacement, famine, and disease. The U.S. and China are the world’s leading economies. Although the two nations are shaped by fundamentally different political and economic systems, they share FEW trajectories in several complementary ways. These realities place the U.S. and China in unique positions to engage in problem definition, dialogue, actions, and transdisciplinary convergence of research to achieve productive solutions addressing FEW challenges. By comparing the nexus and functions of the FEW systems in the two nations, this perspective aims to facilitate collaborative innovations that reduce disciplinary silos, mitigate FEW challenges, and enhance environmental sustainability. Finally, the review of experiences and challenges facing the U.S. and China also offers valuable insights for other nations seeking to achieve sustainable development goals.

54 ENVIRONMENTAL SCIENCES↗

Evaluating GHG Mitigation Potential from ESPC Projects [Slides]

This report explores the impact of implemented ESPC projects on the projected greenhouse gas (GHG) emissions reductions in the U.S. buildings sector, and the associated projected annual cost savings and marginal abatement costs. It is important to investigate the role that energy retrofits can play in achieving GHG emission reduction targets given the use of ESPC by public agencies to reduce emissions from energy use in addition to the historical use of ESPC to to achieve cost/energy savings and ancillary benefits (e.g., addressing deferred maintenance, aging infrastructure, etc.). The analysis draws from LBNL’s eProject Builder (ePB) database, which contains approximately 3,000 energy retrofit projects implemented by energy service companies (ESCOs), mostly energy savings performance contract (ESPC) projects. This is the first report to model GHG emission reductions from ongoing ESPC projects in the U.S public sector based on ePB project data. It is intended for policymakers, federal, state and local government officials and other potential ESPC customers, the ESCO industry, researchers, and other energy policy professionals.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗

Multidimensional Coherent Spectroscopy of van der Waals materials and heterostructures (Final Technical Report)

This project advanced multidimensional coherent spectroscopy (MDCS) and related spectroscopic-imaging methods as quantitative probes of many-body optical excitations in two-dimensional (2D) van der Waals (vdW) semiconductors and their heterostructures. Monolayer transition-metal dichalcogenides (TMDs) such as MoSe 2 and WSe 2 provide a uniquely strong platform for excitonic physics due to reduced dielectric screening, which enhances Coulomb interactions and makes higher-order correlated states (e.g., biexcitons and exciton–trion correlations) more prominent than in conventional bulk semiconductors. At the same time, the same sensitivity that enables strong interactions also increases susceptibility to spatial inhomogeneity—e.g., strain gradients, wrinkles, nanoscale disorder potentials, and charge puddling—which can broaden resonances, obscure interaction signatures, and complicate device-to-device reproducibility. The work reported here addressed this dual opportunity and challenge by: (i) developing and deploying coherent multidimensional methods (including double-quantum MDCS) capable of isolating interaction signals with reduced background, (ii) integrating electrostatic control to tune carrier populations and interaction strengths in situ, and (iii) introducing complementary spatially resolved photoluminescence (PL) techniques—hyperspectral PL imaging and polarization-/field-dependent PL lineshape analysis—to directly quantify disorder, strain, and localization that govern the coherent response.

36 MATERIALS SCIENCE↗

Assessing the Level of Inter-Sectoral Policy Integration for Governance in the Water–Energy Nexus: A Comparative Study of Los Angeles and Beijing

As concerns around water scarcity and energy security increase, so too has interest in the connections between these resources, through a concept called the water–energy nexus. Efforts to improve the integration of water and energy management and to understand their cross-sector relevance are growing. In particular, this paper develops a better empirical understanding on the extent to which governance settings hinder and/or enable policy coherence between the water and energy sectors through a comparative analysis of two case studies, namely, Los Angeles County, California, the United States, and the city of Beijing, China. This paper examines the extent to which the institutional context enables policy coordination within (vertically) and between (horizontally) the water and energy sectors in Beijing and Los Angeles. To do so, we propose a framework for analyzing policy integration for the water energy nexus based on environmental policy integration (EPI). The results highlight the multiple and flexible approaches of EPI in nexus governance, not least with regards to horizontal and vertical policy integration, but also in terms of explicit (i.e., intended) and implicit (i.e., unintended) coordination. The level of nexus-focused policy integration is highly dependent on the motivation at the local context and the criteria to evaluate policy success in each sector.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗

International Symposium on Transport Security of Nuclear and other Radioactive Material; Tokyo, Japan, November 2019

As an outcome of the Fourth Nuclear Security Summit of 2016, held in Washington D.C., the Governments of Australia, Canada, Czech Republic, Finland, France, Hungary, Italy, Japan, Kazakhstan, Morocco, Spain, the Republic of Korea, Thailand, the United Kingdom, and the United States reaffirmed, through INFCIRC/909, their will to further improve the overall security in the transport of nuclear and other radioactive materials. With this goal in mind, each expressed their commitment to further exchange national practices with other countries through the IAEA and the Global Initiative to Combat Nuclear Terrorism (GICNT). They also committed to actively support the IAEA as the central organization for coordinating activities and developing guidance documents and to support the GICNT and the Global Partnership Against the Spread of Weapons and Materials of Mass Destruction in developing and implementing its nuclear transport security activities. Both of these organizations address the commitments regarding nuclear transport security as outcomes of the Nuclear Security Summit 2016. In an effort to continue the momentum from the Nuclear Security Summit, the Government of Japan, in cooperation with the Integrated Support Center for Nuclear Nonproliferation and Nuclear Security of Japan Atomic Energy Agency (ISCN/JAEA), hosted the International Transport Security Symposium in November 2019. With over fifty countries invited to attend, the event exchanged and promoted good practices in several topical area sessions related to the security of nuclear and other radioactive material in transport. Topical sessions included Laws and Regulatory Framework, Physical Protection Systems, Response Actions, and Insider/Information Security. The Symposium built support for transport security and encouraged IAEA Member States to actively work regionally and internationally with the IAEA’s transport security programme through the practical implementation and incorporation of IAEA Nuclear Security Series recommendations and guidance into their national frameworks for transport security. From these sessions, to the host detailed a recommended path forward for future engagements in the security of nuclear and radioactive material in transport. The paper will discuss the Symposium’s outcomes and highlight the forward momentum made by both signatories and non-signatories for the strengthening of all the critical elements of a State’s transport security regime, including physical protection systems, insider threats to the nuclear and radioactive material supply chains, planning and capabilities for law enforcement response to malicious transport security events, and employment of technology to address critical vulnerabilities to the transport of nuclear and other radioactive materials.

Holt, Katherine↗

Fast estimation of reaction rates in spherical and non-spherical porous catalysts

Here we present a methodology for modeling multi-step reaction rates in porous catalyst particles for use in CFD-DEM and two fluid models. Single-step effectiveness factors based on a Thiele modulus, while useful, cannot accurately capture the cascading reaction systems common in high temperature vapor-phase chemical reactors like fluidized catalytic cracking units and catalytic biomass fast pyrolysis systems. Instead, multi-step effectiveness vectors derived from steady-state solutions to the governing reaction-diffusion equations are needed. Solutions for various catalyst shapes are presented, including spheres, cylinders, and prisms. Computational challenges inherent in repeated evaluation of reaction rates with diffusion limitations are discussed, and an efficient implementation based on pre-computed lookup tables is proposed and demonstrated on a simulation of a fluidized bed reactor. Open-source code is provided for the compilation of reaction rate tables for use in ODE, DEM, and two-fluid models.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Single-Molecule Tracking Measurements Reveal the Detailed Mechanisms of Molecular Diffusion in Solvent Mixtures under Nanoconfinement

Understanding mass transport mechanisms in nanopores is important for developing advanced materials for chemical separations, chemical sensing, and energy storage. This paper reports a novel imaging platform that is employed for the first time to investigate the detailed diffusion dynamics of single rhodamine B (RhB) dye molecules confined within solution-filled cylindrical anodic aluminum oxide (AAO) nanopores. The imaging platform relies on illumination of horizontally-oriented AAO nanopores in a highly inclined and laminated optical (HILO) light sheet microscopy geometry. The method was used to investigate the translational and orientational dynamics of single rhodamine B (RhB) molecules within horizontally-oriented 5- and 10-nm diameter AAO nanopores filled with water–ethanol mixtures. The established platform enabled the observation of one-dimensional motion along the pore axis involving occasional short- or long-term immobilization at the single-molecule level. Analysis of cumulative squared-displacement distributions revealed fast (5 – 30 µm²/s), intermediate (1 – 5 µm²/s), and slow (< 1 µm²/s) diffusion components. From the effects of mixture composition and pore size on the contributions of these three components, we inferred that the fast, intermediate, and slow components could be assigned to desorption-mediated hopping, crawling, and wiggling motions, respectively. The platform based on the horizontally-oriented AAO nanopores also permitted single-molecule emission polarization measurements that revealed the negligible steric confinement of individual diffusing RhB molecules within the AAO nanopores. The imaging platform based on AAO membranes and HILO microscopy provided a unique means to investigate how solvation-mediated surface interactions and nanoconfinement govern molecular transport in nanoporous environments.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

A guide to transient absorption spectroscopy for porous crystalline materials in photocatalysis

Transient absorption spectroscopy has become an increasingly accessible method for probing the fundamental mechanisms of photocatalytic reaction and has provided important mechanistic insights across a wide range of systems. However, recent studies on metal-organic framework and covalent-organic framework based photocatalysts employ transient absorption primarily as a supplementary characterization technique rather than as a tool for gaining mechanistic insight. This perspective identifies recurring limitations in current practices and outlines strategies for more deliberate application of transient absorption spectroscopy in photocatalysis. By emphasizing clarity in data presentation and interpretation, we aim to elevate transient absorption spectroscopy from a routine characterization tool to a powerful approach for elucidating mechanistic photophysics of framework materials that govern their photocatalytic performance.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Material Needs and Measurement Challenges for Advanced Semiconductor Packaging: Understanding the Soft Side of Science

This Perspective builds upon insights from the National Institute of Standards and Technology (NIST)-organized workshop, “Materials and Metrology Needs for Advanced Semiconductor Packaging Strategies,” held at the 35th annual Electronics Packaging Symposium in Binghamton, NY, on September 5, 2024. It outlines critical challenges and opportunities related to polymer-based “soft” materials in advanced semiconductor packaging, with emphasis on polymer science, measurement science (metrology), and the strategic development of Research-Grade Test Materials (RGTMs). These efforts, led by the NIST CHIPS team, aim to advance the fundamental understanding of structure-property-processing relationships, promote standardized guidelines and innovative methods for material characterization, and accelerate the development, qualification, and adoption of next-generation packaging materials. The Perspective also distills key insights from the panel discussion with industry experts, emphasizing the need for close collaboration among materials scientists, process engineers, and metrology experts to enable a holistic strategy, further highlighting the importance of cross-sector partnerships among industry, academia, and government to address pressing challenges in packaging materials and processes.

97 MATHEMATICS AND COMPUTING↗

Lowering oxygen evolution overpotential via morphology control of NiO x nanocatalysts

NiO x nanocatalysts with two distinct morphologies, nano-spindles and nano-plates, were synthesized and evaluated for oxygen evolution reaction (OER) performance. Spindle-like NiO x was prepared via a hydrothermal reaction of nickel nitrate and urea with cetyltrimethylammonium bromide as a surfactant at 120 °C for 24 h, forming Ni(OH) 2 -based intermediates that were subsequently calcined at 300 °C for 3 h. In contrast, platelet-like Ni(OH) 2 nanocrystals were obtained using nickel(II) acetate and KOH at 180 °C for 24 h, followed by calcination at 400 °C or 500 °C for 4 h to yield NiO x nano-plates. The NiO x nano-spindles exhibited an OER overpotential of 395 mV at 10 mA/cm 2 , whereas the NiO x nano-plates annealed at 400 °C and 500 °C showed overpotentials of 565 mV and 474 mV at 10 mA/cm 2 , respectively. Structural characterization and X-ray photoemission spectroscopy indicate these differences arise from morphology-dependent surface structures that govern catalytic activity.

36 MATERIALS SCIENCE↗

The Post Office communication system ground station at Goonhilly, Cornwall

The initial purpose of the Post Office satellite system earth station at Goonhilly Downs, Cornwall, is to obtain information on the performance of experimental communication satellite systems; such information will be of great importance to the designers of systems for commercial operation. To facilitate this dissemination the UK and USA Governments prepared and signed, in February 1961, a Memorandum of Understanding regarding collaboration between the British Post Office and the United States National Aeronautics and Space Administration (NASA) on the testing of experimental communication satellites to be launched by NASA. The first phase of the tests covered Projects Telstar and Relay, both active satellites.

COMMUNICATIONS SATELLITE↗