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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 73 records · Page 4

Progression of soot cake layer properties during the systematic regeneration of diesel particulate filters measured with neutron tomography

Although particulate filters (PFs) have been a key component of the emission control system for modern diesel engines, there remain significant questions about the basic regeneration behavior of the filters and how it changes with accumulation of increasing soot layers. This effort describes a systematic deposition and regeneration of particulate matter in 25-mm diameter × 76-mm long wall-flow PFs composed of silicon carbide (SiC) material. The initial soot distributions were analyzed for soot cake thickness using a nondestructive neutron imaging technique. With the PFs intact, it was then possible to sequentially regenerate the samples and reanalyze them, which was performed after nominal 20, 50, and 70 % regenerations. The loaded samples show a relatively uniform distribution of particulate with an increasing soot cake thickness and nearly identical initial density of 70 mg/cm 3 . Throughout regeneration, the soot cake thickness initially decreases significantly while the density increases to 80–90 mg/cm 3 . After ~50 % regeneration, the soot cake thickness stays relatively constant, but instead, the density decreases as pores open up in the layer (~35 mg/cm 3 at 70 % regeneration). Here, complete regeneration initially occurs at the rear of the PF channels. With this information, a conceptual model of the regeneration is proposed.

54 ENVIRONMENTAL SCIENCES↗

Topological kagome magnets and superconductors

A kagome lattice naturally features Dirac fermions, flat bands and van Hove singularities in its electronic structure. The Dirac fermions encode topology, flat bands favour correlated phenomena such as magnetism, and van Hove singularities can lead to instabilities towards long-range many-body orders, altogether allowing for the realization and discovery of a series of topological kagome magnets and superconductors with exotic properties. Recent progress in exploring kagome materials has revealed rich emergent phenomena resulting from the quantum interactions between geometry, topology, spin and correlation. Here we review these key developments in this field, starting from the fundamental concepts of a kagome lattice, to the realizations of Chern and Weyl topological magnetism, to various flat-band many-body correlations, and then to the puzzles of unconventional charge-density waves and superconductivity. We highlight the connection between theoretical ideas and experimental observations, and the bond between quantum interactions within kagome magnets and kagome superconductors, as well as their relation to the concepts in topological insulators, topological superconductors, Weyl semimetals and high-temperature superconductors. In conclusion, these developments broadly bridge topological quantum physics and correlated many-body physics in a wide range of bulk materials and substantially advance the frontier of topological quantum matter.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Probing the state of hydrogen in δ − AlOOH at mantle conditions with machine learning potential

Hydrous and nominally anhydrous minerals are a fundamental class of solids of enormous significance to geophysics. They are the water carriers in the deep geological water cycle and impact structural, elastic, plastic, and thermodynamic properties and phase relations in Earth's forming aggregates (rocks). They play a critical role in the geochemical and geophysical processes that shape the planet. Their complexity has prevented predictive calculations of their properties, but progress in materials simulations ushered by machine-learning potentials is transforming this state of affairs. Here, we adopt a hybrid approach that combines deep learning potentials (DPs) with the strongly constrained and appropriately normed meta-generalized gradient approximation functional to simulate a prototypical hydrous system. We illustrate the success of this approach to simulate δ − AlOOH ( δ ) , a phase capable of transporting water down to near the core-mantle boundary of the Earth ( ∼ 2900 km depth and ∼ 135 GPa ) in subducting slabs. A high-throughput sampling of phase space using molecular dynamics simulations with DPs sheds light on the hydrogen-bond behavior and proton diffusion at geophysical conditions. These simulations provide a pathway for a deeper understanding of these crucial components that shape Earth's internal state. Published by the American Physical Society 2024

Luo, Chenxing (ORCID:0000000341166851)↗

Effects of Local Environment on the Ultra-Fast Carrier Dynamics of Photo-Excited 2D Transition Metal Dichalcogenides

Layered transition metal dichalcogenides (TMDs) represent a diverse, emerging source of two-dimensional (2D) nanostructures with broad application in optoelectronics and energy. In particular, tungsten disulfide (WS2) is an efficient visible light absorber with relatively high carrier mobilities and catalytic activity towards hydrogen evolution. While explanation of the quantum confinement and excitonic effects governing TMD optoelectronic properties has progressed in recent years, less is known about the ultra-fast photoresponse and carrier dynamics following light excitation. This work utilizes transient absorption spectroscopy, with pump tunability and broadband visible probing, to monitor the carrier dynamics of both CVD-grown monolayer and solution exfoliated WS2. Picosecond-scale features include simultaneous bleaching of excitonic states and a red-shifted absorption spectrum attributed to bandgap renormalization, while free carriers, defect trapped carriers, and recombination signatures are apparent at increasing pico- to nanosecond lifetimes. Features associated with excitons, trions, and photo-excited carriers exhibit strong dependence on local environmental factors. Moisture, oxygen, chemical dopants, and dielectric environment strongly affect the strength and decay lifetimes of these photo-excited species. These results highlight the importance of understanding and controlling these local environmental factors to the rational design and implementation of 2D TMDs optoelectronic device platforms.

2D materials↗

Are Lock-Free Concurrent Algorithms Practically Wait-Free?

Lock-free concurrent algorithms guarantee that some concurrent operation will always make progress in a finite number of steps. Yet programmers prefer to treat concurrent code as if it were wait-free, guaranteeing that all operations always make progress. Unfortunately, designing wait-free algorithms is generally a very complex task, and the resulting algorithms are not always efficient. Although obtaining efficient wait-free algorithms has been a long-time goal for the theory community, most nonblocking commercial code is only lock-free. This article suggests a simple solution to this problem. We show that for a large class of lock-free algorithms, under scheduling conditions that approximate those found in commercial hardware architectures, lock-free algorithms behave as if they are wait-free. In other words, programmers can continue to design simple lock-free algorithms instead of complex wait-free ones, and in practice, they will get wait-free progress. Our main contribution is a new way of analyzing a general class of lock-free algorithms under a stochastic scheduler. Our analysis relates the individual performance of processes to the global performance of the system using Markov chain lifting between a complex per-process chain and a simpler system progress chain. We show that lock-free algorithms are not only wait-free with probability 1 but that in fact a general subset of lock-free algorithms can be closely bounded in terms of the average number of steps required until an operation completes. Here, to the best of our knowledge, this is the first attempt to analyze progress conditions, typically stated in relation to a worst-case adversary, in a stochastic model capturing their expected asymptotic behavior.

97 MATHEMATICS AND COMPUTING↗

The Dynamics of Solid Propellant Rocket Motors

From the point of view of dynamics, a solid propellant rocket motor is a unique structure in that it is composed of a substantial mass of propellant material case-bonded to a relatively massless, thin-walled cylinder. The mechanical properties of the propellant are such that it contributes little to the stiffness of the composite structure but it does contribute to the dynamic characteristics of the structure because of its mass. Furthermore, due to the viscoelastic character of the propellant, it can be expected to provide considerable damping to the system. At this point in the development of the art of design of solid propellant rocket motors there are no clear-cut or well-founded methods to evaluate quantitatively the contributions of the propellant to the dynamic responses of the composite structure. It is clear that unless such methods are devised, it will be difficult to arrive at accurate missile designs. In this paper a survey of the dynamic problems of solid propellant rocket motors is presented starting from the simplest model thereof and proceeding, step-by-step, to the consideration of more sophisticated and realistic models. The consideration is restricted to infinitesimal deformations of propellant grains with linear mechanical properties. Substantial progress has been achieved towards the solution of many important dynamical problems. We shall attempt to summarize the pertinent developments and indicate along which lines we feel future study should proceed. A few illustrative solutions are included in areas wherein progress has been substantial.

DYNAMIC RESPONSE↗

Reduced Equations for Calculating the Combustion Rates of Jet-A and Methane Fuel

Simplified kinetic schemes for Jet-A and methane fuels were developed to be used in numerical combustion codes, such as the National Combustor Code (NCC) that is being developed at Glenn. These kinetic schemes presented here result in a correlation that gives the chemical kinetic time as a function of initial overall cell fuel/air ratio, pressure, and temperature. The correlations would then be used with the turbulent mixing times to determine the limiting properties and progress of the reaction. A similar correlation was also developed using data from NASA's Chemical Equilibrium Applications (CEA) code to determine the equilibrium concentration of carbon monoxide as a function of fuel air ratio, pressure, and temperature. The NASA Glenn GLSENS kinetics code calculates the reaction rates and rate constants for each species in a kinetic scheme for finite kinetic rates. These reaction rates and the values obtained from the equilibrium correlations were then used to calculate the necessary chemical kinetic times. Chemical kinetic time equations for fuel, carbon monoxide, and NOx were obtained for both Jet-A fuel and methane.

Molnar, Melissa↗

FY24 progress report on A709 mechanical properties data development and A709 thermal aging status

The report provides the status of the creep, fatigue, and creep-fatigue testing to date conducted at Idaho National Laboratory to generate the data package. This data package evaluates the material performance from three commercial heats to support the Alloy 709 qualification in American Society of Mechanical Engineers, Boiler and Pressure Vessel Code, Section III, Division 5. First procured heat was manufactured by G.O. Carlson with heat number 58776. Second and third heats were fabricated by ATI Specialty Rolled Products with heat numbers 529900 and 530843, respectively. A series of creep and cyclic specimens were fabricated from these three heats and tests were performed. A list of finished, ongoing, and planned test are presented for creep, fatigue, and creep-fatigue tests. Cyclic properties of three commercial heats are compared.

36 MATERIALS SCIENCE↗

FY24 progress report on A709 mechanical properties data development and A709 thermal aging status

The report provides the status of the creep, fatigue, and creep-fatigue testing to date conducted at Idaho National Laboratory to generate the data package. This data package evaluates the material performance from three commercial heats to support the Alloy 709 qualification in American Society of Mechanical Engineers, Boiler and Pressure Vessel Code, Section III, Division 5. First procured heat was manufactured by G.O. Carlson with heat number 58776. Second and third heats were fabricated by ATI Specialty Rolled Products with heat numbers 529900 and 530843, respectively. A series of creep and cyclic specimens were fabricated from these three heats and tests were performed. A list of finished, ongoing, and planned test are presented for creep, fatigue, and creep-fatigue tests. Cyclic properties of three commercial heats are compared.

36 - MATERIALS SCIENCE↗