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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 163 records · Page 9
All sourcesNASA NTRSDOE OSTI
NASA NTRS1990

Dynamical approach study of spurious steady-state numerical solutions of nonlinear differential equations. Part 1: The ODE connection and its implications for algorithm development in computational fluid dynamics

Spurious stable as well as unstable steady state numerical solutions, spurious asymptotic numerical solutions of higher period, and even stable chaotic behavior can occur when finite difference methods are used to solve nonlinear differential equations (DE) numerically. The occurrence of spurious asymptotes is independent of whether the DE possesses a unique steady state or has additional periodic solutions and/or exhibits chaotic phenomena. The form of the nonlinear DEs and the type of numerical schemes are the determining factor. In addition, the occurrence of spurious steady states is not restricted to the time steps that are beyond the linearized stability limit of the scheme. In many instances, it can occur below the linearized stability limit. Therefore, it is essential for practitioners in computational sciences to be knowledgeable about the dynamical behavior of finite difference methods for nonlinear scalar DEs before the actual application of these methods to practical computations. It is also important to change the traditional way of thinking and practices when dealing with genuinely nonlinear problems. In the past, spurious asymptotes were observed in numerical computations but tended to be ignored because they all were assumed to lie beyond the linearized stability limits of the time step parameter delta t. As can be seen from the study, bifurcations to and from spurious asymptotic solutions and transitions to computational instability not only are highly scheme dependent and problem dependent, but also initial data and boundary condition dependent, and not limited to time steps that are beyond the linearized stability limit.

Yee, H. C.↗
NASA NTRS1991

Dynamical approach study of spurious steady-state numerical solutions of nonlinear differential equations. I - The dynamics of time discretization and its implications for algorithm development in computational fluid dynamics

Spurious stable as well as unstable steady state numerical solutions, spurious asymptotic numerical solutions of higher period, and even stable chaotic behavior can occur when finite difference methods are used to solve nonlinear differential equations (DE) numerically. The occurrence of spurious asymptotes is independent of whether the DE possesses a unique steady state or has additional periodic solutions and/or exhibits chaotic phenomena. The form of the nonlinear DEs and the type of numerical schemes are the determining factor. In addition, the occurrence of spurious steady states is not restricted to the time steps that are beyond the linearized stability limit of the scheme. In many instances, it can occur below the linearized stability limit. Therefore, it is essential for practitioners in computational sciences to be knowledgeable about the dynamical behavior of finite difference methods for nonlinear scalar DEs before the actual application of these methods to practical computations. It is also important to change the traditional way of thinking and practices when dealing with genuinely nonlinear problems. In the past, spurious asymptotes were observed in numerical computations but tended to be ignored because they all were assumed to lie beyond the linearized stability limits of the time step parameter delta t. As can be seen from the study, bifurcations to and from spurious asymptotic solutions and transitions to computational instability not only are highly scheme dependent and problem dependent, but also initial data and boundary condition dependent, and not limited to time steps that are beyond the linearized stability limit.

Yee, H. C.↗
DOE OSTI2023

Quasi-one-dimensional Pb 5 Re 3 O 15 : A 5 d realization of the Heisenberg antiferromagnetic spin-1/2 chain

Quasi-one-dimensional (1D) magnetic compounds connect the exact solutions of low-dimensional magnetic geometries, which promise quantum spin liquid behavior and exotic quasiparticles, with real-world materials, in which competing magnetic interactions affect their implementation in quantum information science. Here, the structural determination and quasi-1D magnetic behavior of a previously unreported compound, Pb 5 ⁢Re 3 ⁡O 15 , is presented. Like the anisotropic triangular A 3 ⁢ReO 5 ⁢Cl 2 (A = Ba, Sr, Ca) materials, Pb 5 ⁢Re 3 ⁡O 15 contains [ReO 5 ] square pyramids inserted into anion-centered quasi-two-dimensional layers and hosts spin-1/2 moments on the Re 6+ ions. Pb 5 ⁢Re 3 ⁡O 15 , however, has a more ideal quasi-1D geometry than the A 3 ⁢ReO 5 ⁢Cl 2 materials, with larger interchain distances and interlayer spacing. Quasi-1D magnetic behavior in Pb 5 ⁢Re 3 ⁡O 15 is confirmed by fitting the temperature-dependent magnetic susceptibility with the Bonner-Fisher model for a spin-1/2 antiferromagnetically coupled chain, yielding an intrachain coupling constant of |J|/k B =54.5K. Pb 5 ⁢Re 3 ⁡O 15 is highly insulating at room temperature, and heat capacity data below 10 K reveal a linear-T contribution that suggests the presence of low-temperature spinon excitations. Finally, with a lack of three-dimensional ordering down to at least 0.6 K, Pb 5 ⁢Re 3 ⁡O 15 is proposed as a model system for studying the quantum magnetism of quasi-1D Heisenberg chains in a real-world 5d 1 antiferromagnetic material.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Collaborative Proposal: Improving Understanding of the Internal Structure and Dynamics of Deep Convection Using ARM Observations and Large Eddy Simulations (Final progress report)

This is the final technical report for the DOE Atmospheric System Research funded project entitled "Collaborative Proposal: Improving Understanding of the Internal Structure and Dynamics of Deep Convection Using ARM Observations and Large Eddy Simulations". This project addressed several science questions related to the structure and behavior of deep convective clouds in the atmosphere. It applied knowledge gained from this work to improve the deep cumulus convection parameterization in the Community Earth System Model (CESM). Specific outcomes related to the project include an improved understanding of: (1) how convective cloud environments regulate the size of thermals reaching the upper troposphere, and hence the shallow-to-deep convective transition; (2) the role of dynamic pressure forcing in thermal and convective cloud evolution; and (3) the role of vertical wind shear on the behavior of moist thermals and the transition from shallow to deep convection. Although the primary motivation of this project was to improve basic understanding of thermal dynamics in atmospheric convection, an important component of this work was using this improved understanding to modify the representation of entrainment and vertical velocity profiles in the Zhang-McFarlane cumulus parameterization used in CESM. This work also had a strong observational component, with analyses of Atmospheric Radiation Measurement (ARM) observations to characterize thermal characteristics and behavior. Observations collected during the ARM-supported CACTI field project were used with high-resolution simulations to explore environmental controls on deep convection initiation. Data from the ARM-supported MC3E field project were also used to evaluate the representation of updraft vertical velocities in the Zhang-McFarlane cumulus parameterization. This project directly supported the training of two post-doctoral researchers and led to 16 peer-reviewed published papers.

54 ENVIRONMENTAL SCIENCES↗
NASA NTRS1988

Electronic materials high-T(sub c) superconductivity polymers and composites structural materials surface science and catalysts industry participation

The fifth year of the Center for Advanced Materials was marked primarily by the significant scientific accomplishments of the research programs. The Electronics Materials program continued its work on the growth and characterization of gallium arsenide crystals, and the development of theories to understand the nature and distribution of defects in the crystals. The High Tc Superconductivity Program continued to make significant contributions to the field in theoretical and experimental work on both bulk materials and thin films and devices. The Ceramic Processing group developed a new technique for cladding YBCO superconductors for high current applications in work with the Electric Power Research Institute. The Polymers and Composites program published a number of important studies involving atomistic simulations of polymer surfaces with excellent correlations to experimental results. The new Enzymatic Synthesis of Materials project produced its first fluorinated polymers and successfully began engineering enzymes designed for materials synthesis. The structural Materials Program continued work on novel alloys, development of processing methods for advanced ceramics, and characterization of mechanical properties of these materials, including the newly documented characterization of cyclic fatigue crack propagation behavior in toughened ceramics. Finally, the Surface Science and Catalysis program made significant contributions to the understanding of microporous catalysts and the nature of surface structures and interface compounds.

Source record↗
DOE OSTI2021

Increasing Diversity in Energy Efficiency Professions: JUMP into STEM

A long-term approach to achieving equity in the energy efficiency industry is to increase the overall diversity of the professionals who work in the field. Building science professionals have a direct impact on energy efficiency policy and programs, as many become leaders within the industry. Buildings are used every day by almost all members of U.S. society, so diversity in building science professionals is critical to better understanding the behaviors and needs of the full spectrum of building occupants. Many groups of people, including minorities and women, are underrepresented in the industry. The industry needs to attract a wide range of current college and university students to careers in building science, so that many perspectives are included in the clean energy transition. The JUMP into STEM student competition addresses this need by inspiring students from diverse backgrounds to use creative ideation to solve real-world building science problems. Student teams - comprising an interdisciplinary mix of majors and underrepresented groups in science, technology, engineering, and math (STEM) - respond to one of three buildings-related challenges. Diversity is encouraged through challenge design, competition guidelines, and evaluation criteria for the submission. Winners of the competition are awarded paid building science internships, a gateway to a career in this field. The competition has an advisory panel of diversity experts and a professor team that includes representation from minority-serving institutions. This paper presents the JUMP into STEM approach to fostering diversity and creative ideation on technical challenges and discusses outcomes from the 2019 and 2020 competitions.

buildings↗
DOE OSTI2021

Comparative study of three yttrium organometallic compounds for the stabilization of the cubic phase in YSZ deposited by PE-CVD

In this work, the efficiencies of three organometallic yttrium precursors used to produce YSZ coatings by plasma-enhanced chemical vapor deposition were studied. Yttrium (III) acetylacetonate, Y (acac) 3 , yttrium (III) hexafluoroacetylacetonate, Y (acacF 6 ) 3 , and yttrium (III) tris(2,2,6,6-tetramethyl-3,5-heptanedionate), Y (tmhd) 3 , were used to stabilize the cubic phase in zirconia deposited at temperatures from 500 to 800 °C. Our results showed that at temperatures between 500 and 600 °C, Y (tmhd) 3 appeared to be the most efficient dopant as it introduced the highest concentration of yttria (1–2.7 mol%) with only 6.4–5.6 at.% carbon. However, at 700 and 800 °C, Y (acac) 3 introduced twice as much yttria (8–15 mol%) as Y (tmhd) 3 with almost the same amount of carbon (5.4–3 at.%). Conversely, Y (acacF6)3 was the least efficient as it maintained a low concentration of yttria of around 0.7–1.8 mol% with 3.6–8.2 at.% carbon for all the deposition temperatures. Among these precursors, only Y (acac) 3 surpassed 8 mol% yttria and achieved a fully stabilized cubic phase at 800 °C, with the remaining samples stabilizing only the tetragonal phase. The tetragonal phase was stabilized due to the formation of crystallites of around 10 nm. The observed difference in the efficiency of the three precursors was correlated to important differences in their decomposition behavior as observed by mass spectrometry and thermogravimetry/differential scanning calorimetry.

36 MATERIALS SCIENCE↗
NASA NTRS2012

A Model-Based Approach to Engineering Behavior of Complex Aerospace Systems

One of the most challenging yet poorly defined aspects of engineering a complex aerospace system is behavior engineering, including definition, specification, design, implementation, and verification and validation of the system's behaviors. This is especially true for behaviors of highly autonomous and intelligent systems. Behavior engineering is more of an art than a science. As a process it is generally ad-hoc, poorly specified, and inconsistently applied from one project to the next. It uses largely informal representations, and results in system behavior being documented in a wide variety of disparate documents. To address this problem, JPL has undertaken a pilot project to apply its institutional capabilities in Model-Based Systems Engineering to the challenge of specifying complex spacecraft system behavior. This paper describes the results of the work in progress on this project. In particular, we discuss our approach to modeling spacecraft behavior including 1) requirements and design flowdown from system-level to subsystem-level, 2) patterns for behavior decomposition, 3) allocation of behaviors to physical elements in the system, and 4) patterns for capturing V&V activities associated with behavioral requirements. We provide examples of interesting behavior specification patterns, and discuss findings from the pilot project.

SysML↗
DOE OSTI2023

Phase Transformation Pathway of DyPO4 to 21.5 GPa

Interest in the deformation behavior and phase transformations of rare earth orthophosphates (REPO4s) spans several fields of science—from geological impact analysis to ceramic matrix composite engineering. In this study, the phase behavior of polycrystalline, xenotime DyPO4 is studied up to 21.5(16) GPa at ambient temperature using in situ diamond anvil cell synchrotron X-ray diffraction. This experiment reveals a large xenotime–monazite phase coexistence pressure range of 7.6(15) GPa and evidence for the onset of a post-monazite transformation at 13.9(10) GPa to scheelite. The identification of scheelite as the post-monazite phase of DyPO4, though not definitive, is consistent with REPO4 phase transformation pathways reported in both the experimental and the computational literature.

Sharma, Jai (ORCID:0000000339034534)↗
DOE OSTI2022

Discovering mechanisms for materials microstructure optimization via reinforcement learning of a generative model

Abstract The design of materials structure for optimizing functional properties and potentially, the discovery of novel behaviors is a keystone problem in materials science. In many cases microstructural models underpinning materials functionality are available and well understood. However, optimization of average properties via microstructural engineering often leads to combinatorically intractable problems. Here, we explore the use of the reinforcement learning (RL) for microstructure optimization targeting the discovery of the physical mechanisms behind enhanced functionalities. We illustrate that RL can provide insights into the mechanisms driving properties of interest in a 2D discrete Landau ferroelectrics simulator. Intriguingly, we find that non-trivial phenomena emerge if the rewards are assigned to favor physically impossible tasks, which we illustrate through rewarding RL agents to rotate polarization vectors to energetically unfavorable positions. We further find that strategies to induce polarization curl can be non-intuitive, based on analysis of learned agent policies. This study suggests that RL is a promising machine learning method for material design optimization tasks, and for better understanding the dynamics of microstructural simulations.

36 MATERIALS SCIENCE↗
NASA NTRS2000

Physiological effects of light on the human circadian pacemaker

The physiology of the human circadian pacemaker and its influence and on the daily organization of sleep, endocrine and behavioral processes is an emerging interest in science and medicine. Understanding the development, organization and fundamental properties underlying the circadian timing system may provide insight for the application of circadian principles to the practice of clinical medicine, both diagnostically (interpretation of certain clinical tests are dependent on time of day) and therapeutically (certain pharmacological responses vary with the time of day). The light-dark cycle is the most powerful external influence acting upon the human circadian pacemaker. It has been shown that timed exposure to light can both synchronize and reset the phase of the circadian pacemaker in a predictable manner. The emergence of detectable circadian rhythmicity in the neonatal period is under investigation (as described elsewhere in this issue). Therefore, the pattern of light exposure provided in the neonatal intensive care setting has implications. One recent study identified differences in both amount of sleep time and weight gain in infants maintained in a neonatal intensive care environment that controlled the light-dark cycle. Unfortunately, neither circadian phase nor the time of day has been considered in most clinical investigations. Further studies with knowledge of principles characterizing the human circadian timing system, which governs a wide array of physiological processes, are required to integrate these findings with the practice of clinical medicine.

Review, Tutorial↗
NASA NTRS1996

Stereo Imaging Velocimetry

Stereo imaging velocimetry (SIV) will permit the collection of quantitative, three-dimensional flow data from any optically transparent fluid that can be seeded with tracer particles. This includes such diverse experiments as the study of multiphase flow, bubble nucleation and migration, pool combustion, and crystal growth. This technique will be useful to the microgravity science community as our investigations of fluid behavior in reduced-gravity environments enhance our knowledge of heat transfer, surface tension, concentration-gradient-driven anomalies, and residual effects from g-jitter. In its proposed configuration, the NASA Lewis Research Center's Stereo Imaging Velocimeter will consist of at least two charged coupled device (CCD) cameras, oriented at some relative angle with respect to each other. The cameras will observe a fluid experiment that has been seeded with tracer particles that are neutrally buoyant to permit accurate flow tracking. Except for the tracer particles, this measurement technique will be nonintrusive. Velocity accuracies will be on the order of 1 to 5 percent of full field. Each camera will make a two-dimensional record of the motion of the seed particles in the observation volume. Three-dimensional data will be obtained by computationally combining the two-dimensional information.

Source record↗
NASA NTRS2007

The Swift X-Ray Te1escope: Status and Performance

We present science highlights and performance from the Swift X-ray Telescope (XRT), which was launched on November 20,2004. The XRT covers the 0.2-10 keV band, and spends most of its time observing gamma-ray burst (GRB) afterglows, though it has also performed observations of many other objects. By mid-August 2007, the XRT had observed over 220 GRB afterglows, detecting about 96% of them. The XRT positions enable followup ground-based optical observations, with roughly 60% of the afterglows detected at optical or near IR wavelengths. Redshifts are measured for 33% of X-ray afterglows. Science highlights include the discovery of flaring behavior at quite late times, with implications for GRB central engines; localization of short GRBs, leading to observational support for compact merger progenitors for this class of bursts; a mysterious plateau phase to GRB afterglows; as well as many other interesting observations such as X-ray emission from comets, novae, galactic transients, and other objects.

Burrows, David N.↗
NASA NTRS2012

Contribution to "AIAA Aerospace Year in Review" article

The NASA Marshall Space Flight Center Microgravity Science Program is dedicated to promoting our understanding of materials processing by conducting relevant experiments in the microgravity environment and supporting related modeling efforts with the intent of improving ground-based practices. Currently funded investigations include research on dopant distribution and defect formation in semiconductors, microstructural development and transitions in dendritic casting alloys, coarsening phenomena, competition between thermal and kinetic phase formation, and the formation of glassy vs. crystalline material. NASA Microgravity Materials Science Principle Investigators are selected for funding either through a proposal in response to a NASA Research Announcement or by collaborating on a team that has successfully proposed to a foreign space agency research announcement. In the latter case, a US investigator can then apply to NASA for funding through an unsolicited proposal. The International Space Station (ISS) facilities used for the experimental investigations are provided primarily by partnering with foreign agencies and often US investigators are working as a part of a larger team studying a specific area of materials science. Facilities for conducting experiments aboard the ISS include the European Space Agency (ESA) Low Gradient Facility (LGF) and the Solidification and Quench (SQF) modular inserts to the Materials Research Rack/Materials Science Laboratory and are primarily used for controlled solidification studies. The French Space Agency (CNES) provided DECLIC facility allows direct observation of morphological development in transparent materials that solidify analogously to metals. The ESA provided Electro ]Magnetic Levitator (EML) is designed to levitate, melt and then cool samples in order to determine material properties, study nucleation behavior, and document phase transitions. Finally, the Microgravity Science Glovebox (MSG) serves as a onboard facility for supporting the hardware required to conduct a number of smaller, short-term investigations.

Grugel, Richard N.↗
NASA NTRS2012

Instrument Concept for the Proposed DESDynI SAR instrument

The proposed DESDynI (Solid Earth Deformation, Ecosystems Structure and Dynamics of Ice) SAR (synthetic aperture radar) Instrument would expand the trade-space of radar instrument concepts and push the boundaries of high-level integration of digital and RF subsystems in order to achieve very precise assessments of system's behavior; DESDynI mission concept would provide continuous science measurements that would greatly enhance understanding of geophysical and anthropological effects in three science disciplines; Trades in instrument architecture implementations and partnership discussions are producing a set of options for science community and NASA to evaluate and consider implementing late in the decade.

synthetic aperture radars (SAR)↗
DOE OSTI2026

Non-Equilibrium Actinide Radiation Chemistry and the Nuclear Fuel Cycle

Invited John and Naomi Fackler Lectureship in Chemistry and English seminar at Valparaiso University, IN, USA. Actinides are inherently unstable elements that frequently coexist with other radioisotopes, generating intense ionizing radiation fields that drive the formation of non-equilibrium oxidation states. These transient species exert a profound mechanistic influence on the radiation response of actinide-containing systems due to their unique redox chemistry. Despite their importance, they remain poorly understood, yet such insight is essential for advancing actinide science and accurately predicting radiation-driven behavior. Actinide separations—critical for nuclear energy technologies, strategic deterrence, space exploration, and nuclear medicine—depend on precise control of actinide oxidation states to recover targeted elements from complex matrices such as used nuclear fuel. However, during these processes, actinides, their coordination complexes, and the separation media are all exposed to intense, multicomponent (alpha, beta, gamma, etc.) radiation fields that can alter process efficiency, selectivity, and chemical stability. Understanding, controlling, and mitigating radiation-induced reactions is therefore key to innovating and optimizing next-generation separation technologies. This seminar will provide an overview of the nuclear fuel cycle and non-equilibrium actinide radiation chemistry in the context of recovering actinides from used nuclear fuel, with a particular emphasis on direct-dissolution–based reprocessing strategies. We will explore time-resolved electron pulse radiolysis and gamma dose accumulation studies to elucidate the molecular-level roles of radiation-driven, non-equilibrium actinide species in process performance and in the radiolytic stability of organic ligands used for actinide recovery. These insights offer new pathways for designing advanced separation methods and next-generation solvent systems, with broad implications for the future of the nuclear fuel cycle.

37 - INORGANIC, ORGANIC, PHYSICAL AND ANALYTICAL C↗