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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 253 records · Page 14
All sourcesNASA NTRSDOE OSTI
NASA NTRS2012

Additional Sr Isotopic Heterogeneity in Zagami Olivine-Rich Lithology

Prior isotopic analyses of Zagami have established differing initial Sr-87/Sr-86 (ISr) ratios of among Zagami lithologies, fine-grained (FG), coarse-grained (CG), and dark mottled lithologies (DML)]. The Zagami sample (KPM-NLH000057) newly allocated from the Kanagawa Prefectural Museum of Natural History contained DML and the Ol-rich lithology which included more ferroan olivines (Ol-rich: Fa(sub 97- 99) vs late-stage melt pockets: Fa(sub 90-97)]). We have combined mineralogy-petrology and Rb-Sr isotopic studies on the Kanagawa Zagami sample, which will provide additional clues to the genesis of enriched shergottites and to the evolution of Martian crust and mantle

Misawa, K.↗
NASA NTRS2013

Trace Element Abundances in an Unusual Hibonite-Perovskite Refractory Inclusion from Allende

Calcium-aluminum-rich refractory inclusions (CAIs) are thought to be the first-formed solids in the Solar protoplanetary disk and can provide information about the earliest Solar System processes (e.g., [1]). A hibonite-perovskitebearing CAI from the Allende CV3 chondrite (SHAL, [2]) contains a single of 500 micrometers hibonite grain and coarse-grained perovskite. The mineralogy and oxygen isotopic composition of this CAI shows similarities with FUN inclusions, especially HAL [2]. Here we present trace element abundances in SHAL.

Mane, Prajkta↗
NASA NTRS1984

Chemical compositions of refractory inclusions in the Murchison C2 chondrite

Neutron activation has been used to analyze samples from ten refractory inclusions in Murchison for 36 elements. Two inclusions, BB-5 and MUCH-1, have large negative Yb anomalies unaccompanied by correspondingly large and negative Eu anomalies; six inclusions have group II or III patterns, or variants of such patterns. The frequency of highly fractionated REE patterns, and the absence of group I patterns, suggest that refractory inclusions in Murchison stopped equilibrating with the nebular gas at higher temperatures than most Allende coarse grained inclusions. Murchison inclusions tend to be lower in nonrefractory elements than Allende coarse grained inclusions, further suggesting that, on average, the former underwent less severe secondary alteration than the latter.

Ekambaram, V.↗
DOE OSTI2024

Transition in ICF Capsule Implosions

Longstanding design and reproducibility challenges in inertial confinement fusion (ICF) capsule implosion experiments involve recognizing the need for appropriately characterized and modeled three-dimensional initial conditions and high-fidelity simulation capabilities to predict transitional flow approaching turbulence, material mixing characteristics, and late-time quantities of interest—e.g., fusion yield. We build on previous coarse graining simulations of the indirect-drive national ignition facility (NIF) cryogenic capsule N170601 experiment-a precursor of N221205 which resulted in net energy gain. We apply effectively combined initialization aspects and multiphysics coupling in conjunction with newly available hydrodynamics simulation methods, including directional unsplit algorithms and low Mach-number correction-key advances enabling high fidelity coarse grained simulations of radiation-hydrodynamics driven transition. Our presentation includes discussion of the capsule initialization and implosion dynamics, analysis of the vorticity production budget, transition signatures, quantities of interest—late-time ion temperature and fusion-neutron yield, numerical uncertainty quantification, and comparisons with NIF data.

42 ENGINEERING↗
DOE OSTI2021

Simulation of polymerization induced phase separation in model thermosets

Polymerization induced phase separation (PIPS) in a three component thermoset is studied using molecular dynamics simulations of a new coarse-grained thermoset model. The system includes two crosslinker molecules, which differ in their glass transition temperatures (T g ) and chain length and thus have the potential for phase separation. Here, one crosslinker has a high T g corresponding to a rubbery behavior, and simulations were performed for a short length (4 beads) and a long length (33 beads). The resin and other crosslinker have low T g . A coarse-grained model is developed with these features and with interaction parameters determined so that for either rubbery crosslinker length, the system is in the liquid state at the cure temperature. For sufficiently slow reaction rates, the long rubbery molecule exhibits PIPS into a bicontinuous array of nanoscale domains, but the short one does not, reproducing recent experimental results. The simulations demonstrate that the reaction rates must be slow enough to allow diffusion to yield phase separation. Particularly, the reaction rate corresponding to the secondary amine must be very slow, else the structure of crosslinked clusters and the substantially increased diffusion time will prevent PIPS.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS2000

The Effect of Boron on the Low Cycle Fatigue Behavior of Disk Alloy KM4

The durability of powder metallurgy nickel base superalloys employed as compressor and turbine disks is often limited by low cycle fatigue (LCF) crack initiation and crack growth from highly stressed surface locations (corners, holes, etc.). Crack growth induced by dwells at high stresses during aerospace engine operation can be particularly severe. Supersolvus solution heat treatments can be used to produce coarse grain sizes approaching ASTM 6 for improved resistance to dwell fatigue crack growth. However, the coarse grain sizes reduce yield strength, which can lower LCF initiation life. These high temperature heat treatments also can encourage pores to form. In the advanced General Electric disk superalloy KM4, such pores can initiate fatigue cracks that limit LCF initiation life. Hot isostatic pressing (HIP) during the supersolvus solution heat treatment has been shown to improve LCF initiation life in KM4, as the HIP pressure minimizes formation of the pores. Reduction of boron levels in KM4 has also been shown to increase LCF initiation life after a conventional supersolvus heat treatment, again possibly due to effects on the formation tendencies of these pores. However, the effects of reduced boron levels on microstructure, pore characteristics, and LCF failure modes in KM4 still need to be fully quantified. The objective of this study was to determine the effect of boron level on the microstructure, porosity, LCF behavior, and failure modes of supersolvus heat treated KM4.

Gabb, Timothy↗
NASA NTRS1957

Study of the Micro-Nonuniformity of the Plastic Deformation of Steel

The plastic flow during deformation of real polycrystalline metals has specific characteristics which distinguish the plastic deformation of metals from the deformation of ordinary isotropic bodies. One of these characteristics is the marked micro-nonuniformity of the plastic deformation of metals. P.O. Pashkov demonstrated the presence of a considerable micro-nonuniformity of the plastic deformation of coarse-grained steel wit medium or low carbon content. Analogous results in the case of tension of coarse-grained aluminum were obtained by W. Boas, who paid particular attention to the role of the grain boundaries in plastic flow. The nonuniformit of the plastic deformation in microvolumes was also recorded by T.N. Gudkova and others, on the alloy KhN80T. N.F. Lashko pointed out the nonuniformity of the plastic deformation for a series of pure polycrystalline metals and one-phase alloys. In his later reports, P.O. Pashkov arrives at he conclusion that the nonuniformity of the distribution of the deformation along the individual grains has a significant effect on the strength and plastic characteristics of polycrystalline metals in the process of plastic flow. However, until now there has not existed any systematic investigation of the general rules of the microscopic nonuniformit of plastic deformation even though the real polycrystalline metals are extremely simple with regard to structure. In the present report, an attempt is made to study the micrononuniformity of the flow of polycrystalline metals by the method of statistical analysis of the variation of the frequency diagrams of the nonuniformity of the grains in the process of plastic deformation.

Chechulin, B. B.↗
DOE OSTI2020

Structural origin of size effect on piezoelectric performance of Pb(Zr,Ti)O 3

Grain size effect plays a vital role in piezoelectric performance from both scientific and technological view. However, the underlying structural mechanism related to grain size is still unclear. In the present study, the structural mechanism of grain size effect on piezoelectric performance has been revealed in the prototype Pb(Zr, Ti)O 3 system by using in-situ synchrotron X-ray diffraction. The miniaturization of grain size tends to favor the appearance of higher symmetric tetragonal phase, while a single monoclinic phase is determined in the coarse-grained ceramics. The direct structural evidence reveals that both tetragonal and monoclinic phases in the fine-grained ceramics are less sensitive to the electric field, corresponding to the inferior piezoelectric performance, while the single monoclinic phase in the coarse-grained ceramics is more active to be driven by the electric field, generating good piezoelectric behavior. Both domain switching ability and lattice strain are suppressed with decreasing grain size, which directly leads to the deterioration in piezoelectric performance. In conclusion, the current results will benefit the structural understanding of the size effect of piezoelectric and other related systems.

36 MATERIALS SCIENCE↗
NASA NTRS1982

Microstructural effects on the room and elevated temperature low cycle fatigue behavior of Waspaloy

Longitudinal specimens of Waspaloy containing either coarse grains with small gamma or fine grains with large gamma were tested in air at a frequency of 0.33 Hz or 0.50 Hz. The coarse grained structures exhibited planar slip on (III) planes and precipitate shearing at all temperatures. Cracks initiated by a Stage 1 mechanism and propagated by a striation forming mechanism. At 700 C and 800 C, cleavage and intergranular cracking were observed. Testing at 500 C, 700 C, and 800 C caused precipitation of grain boundary carbides. At 700 C, carbides precipitated on slip bands. The fine grained structures exhibited planar slip on (111) planes. Dislocations looped the large gamma precipitates. This structure led to stress saturation and propagation was observed. Increasing temperatures resulted in increased specimen oxidation for both heat treatments. Slip band and grain boundary oxidation were observed. At 800 C, oxidized grain boundaries were cracked by intersecting slip bands which resulted in intergranular failure. The fine specimens had crack initiation later in the fatigue life, but with more rapid propagation crack propagation.

Lerch, B. A.↗
DOE OSTI2021

A world without pythons would be so simple

We show that bulk operators lying between the outermost extremal surface and the asymptotic boundary admit a simple boundary reconstruction in the classical limit. This is the converse of the Python's lunch conjecture, which proposes that operators with support between the minimal and outermost (quantum) extremal surfaces—e.g. the interior Hawking partners—are highly complex. Our procedure for reconstructing this 'simple wedge' is based on the HKLL construction, but uses causal bulk propagation of perturbed boundary conditions on Lorentzian timefolds to expand the causal wedge as far as the outermost extremal surface. As a corollary, we establish the Simple Entropy proposal for the holographic dual of the area of a marginally trapped surface as well as a similar holographic dual for the outermost extremal surface. Here, we find that the simple wedge is dual to a particular coarse-grained CFT state, obtained via averaging over all possible Python's lunches. An efficient quantum circuit converts this coarse-grained state into a 'simple state' that is indistinguishable in finite time from a state with a local modular Hamiltonian. Under certain circumstances, the simple state modular Hamiltonian generates an exactly local flow; we interpret this result as a holographic dual of black hole uniqueness.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2024

Lulabcodes/Coarse-grained_Sc_Model

This repository contains the source code for the coarse-grained, systemic, and dynamic model of Saccharomyces cerevisiae. Related publishments: Emergence of Orchestrated and Dynamic Metabolism of Saccharomyces cerevisiae. Coarse-Grained Modeling Elucidates Differential Metabolism of Saccharomyces cerevisiae under Varied Nutrient Limitations.

Lai, Yi-Hui (Cindy)↗
NASA NTRS2005

Homopolyrotaxanes and Homopolyrotaxane Networks of PEO

In order to identify the optimum size of macrocrown ether for threading, we first investigated the size and shape of simple crown ethers in the melt at 373 K, and their extent of threading with PEO in the melt using coarse-grained Monte Carlo simulations on the 2nnd (second nearest neighbor diamond) lattice, which is a high coordination lattice whose coarse-grained chains can be reverse mapped into fully atomistic models in continuous space.

Pugh, Coleen↗
NASA NTRS1977

Trace element distribution in mineral separates of the Allende inclusions and their genetic implications

Concentrations of the rare earth elements (REE), Sc, Co, Fe, Zn, Ir, Na, and Cr were determined for mineral separates of the coarseand fine-grained types (group I and II) of the Allende inclusions. These data in combination with other data suggest that the minerals in the coarse-grained inclusions (group I) crystallized in a closed system with respect to refractory elements although a totally molten stage is precluded. The data also indicate that fine-grained (group II) inclusions were formed by condensation from a super-cooled nebular gas; REE-rich clinopyroxene and spinel were formed earlier than REE-poor sodalite and nepheline. In addition, pre-existing Mg isotope anomalies in the coarse-grained inclusions must have been erased during the heating stage.

Nagasawa, H.↗
NASA NTRS2003

Creep Resistance of Disk Alloy CH98 with Tungsten and Niobium Additions

Gas turbine engines for future subsonic transports will likely have higher pressure ratios which will require nickel-base superalloy disks with temperature capability up to 1400 F, an increase of about 200 F over current engines. Several advanced disk alloys are being developed to fill this need. One of these, CH98, is a promising candidate for gas turbine engines and is being studied in NASA's AST Program. Additions of the refractory elements tungsten and niobium have been shown to improve tensile and creep properties while maintaining good high temperature fatigue crack growth resistance. Further improvements in creep and crack growth resistance can be achieved with a coarse grain microstructure. The purpose of the present study is aimed at providing a detailed assessment of 0.2 percent creep rates for coarse grain CH98 with tungsten and niobium additions over a range of temperatures and stresses of interest to disk applications.

Gayda, John↗
DOE OSTI2022

Learning stochastic dynamics with statistics-informed neural network

We introduce a machine-learning framework named statistics-informed neural network (SINN) for learning stochastic dynamics from data. This new architecture was theoretically inspired by a universal approximation theorem for stochastic systems, which we introduce in this paper, and the projection-operator formalism for stochastic modeling. Here, we devise mechanisms for training the neural network model to reproduce the correct statistical behavior of a target stochastic process. Numerical simulation results demonstrate that a well-trained SINN can reliably approximate both Markovian and non-Markovian stochastic dynamics. We demonstrate the applicability of SINN to coarse-graining problems and the modeling of transition dynamics. Furthermore, we show that the obtained reduced-order model can be trained on temporally coarse-grained data and hence is well suited for rare-event simulations.

97 MATHEMATICS AND COMPUTING↗
NASA NTRS1979

Breccias 73215 and 73255 - Siderophile and volatile trace elements

Fifteen siderophile and volatile trace elements (Os, Re, Ir, Pd, Ni, Au, Sb, Ge, Se, Ag, In, Zn, Cd, Bi, Tl) and U were determined by radiochemical neutron activation analysis in a spheroidal aphanitic clast and a clast of coarse-grained anorthositic gabbro from breccia 73215 and in three types of aphanite and two clasts of fine-grained anorthositic gabbro from breccia 73255. In common with most Apollo 17 fragment-laden melt rocks, the aphanites from 73215 and 73255 predominantly contain a Group 2 meteoritic component, which is apparently derived from the Serenitatis impact. All aphanitic lithologies contain the same meteoritic component, and are probably cogenetic. The clasts of fine-grained anorthositic gabbro contain substantial amounts (2% to 6% Cl equivalent based on Au) of a pre-Serenitatis Group 3 component. The clast of coarse-grained anorthositic gabbro is low in siderophile elements (0.4% Cl equivalent), and the meteoritic component (Group 5) is not well-defined. A strong correlation exists between Ir and Au in both the aphanites and the anorthositic gabbro clasts, which argues against the breccias 73215 and 73255 being open systems for Au

Morgan, J. W.↗
NASA NTRS2005

Probabilistic Design of a Wind Tunnel Model to Match the Response of a Full-Scale Aircraft

approach is presented for carrying out the reliability-based design of a plate-like wing that is part of a wind tunnel model. The goal is to design the wind tunnel model to match the stiffness characteristics of the wing box of a flight vehicle while satisfying strength-based risk/reliability requirements that prevents damage to the wind tunnel model and fixtures. The flight vehicle is a modified F/A-18 aircraft. The design problem is solved using reliability-based optimization techniques. The objective function to be minimized is the difference between the displacements of the wind tunnel model and the corresponding displacements of the flight vehicle. The design variables control the thickness distribution of the wind tunnel model. Displacements of the wind tunnel model change with the thickness distribution, while displacements of the flight vehicle are a set of fixed data. The only constraint imposed is that the probability of failure is less than a specified value. Failure is assumed to occur if the stress caused by aerodynamic pressure loading is greater than the specified strength allowable. Two uncertain quantities are considered: the allowable stress and the thickness distribution of the wind tunnel model. Reliability is calculated using Monte Carlo simulation with response surfaces that provide approximate values of stresses. The response surface equations are, in turn, computed from finite element analyses of the wind tunnel model at specified design points. Because the response surface approximations were fit over a small region centered about the current design, the response surfaces were refit periodically as the design variables changed. Coarse-grained parallelism was used to simultaneously perform multiple finite element analyses. Studies carried out in this paper demonstrate that this scheme of using moving response surfaces and coarse-grained computational parallelism reduce the execution time of the Monte Carlo simulation enough to make the design problem tractable. The results of the reliability-based designs performed in this paper show that large decreases in the probability of stress-based failure can be realized with only small sacrifices in the ability of the wind tunnel model to represent the displacements of the full-scale vehicle.

Mason, Brian H.↗
DOE OSTI2021

Computational Tools for Additive Manufacture of Tailored Microstructure and Properties

Additive manufacturing has the potential to revolutionize industrial hardware and unlock efficiency gains through the fabrication of geometries and architectures not possible by conventional processing. Currently most additive builds use a single set of process parameters (e.g. laser power and scan speed) which results in a part with a homogenous microstructure that provides a singular performance level. To move beyond this state, Raytheon Technologies Research Center worked to create a set of computational tools to track material evolution through each step of the additive process. Computational fluid dynamics and phase field models for microstructure evolution as a function of processing parameters, and crystal plasticity models fully coupling microstructure and mechanical properties for performance predictions were leveraged to establish a connection between additive parameters and the final microstructure. This framework was utilized to tailor spatially-varying mechanical properties in a part by appropriately controlling the microstructure evolution during the additive process. Specifically, a turbine blade was 3D printed from nickel superalloy IN718 using laser powder bed fusion with coarse grains in the airfoil section which experiences the highest temperatures and is creep limited while finer grains were printed in the root of the blade which experience higher stresses but at lower temperatures and is therefore fatigue limited. The benefit of being able to intentionally insert coarse grains in the high temperature region of the blade was showcased with a microstructure sensitive creep model that indicates longer creep life for coarser grains.

20 FOSSIL-FUELED POWER PLANTS↗