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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 379 records · Page 21

In-situ effect in cross-ply laminates under various loading conditions analyzed with hybrid macro/micro-scale computational models

In this article, multi-scale finite element analyses based on three-dimensional (3D) hybrid macro/micro-scale computational models subjected to various loading conditions are carried out to examine the in-situ effect imposed by the neighboring plies on the failure initiation and propagation of cross-ply laminates. A detailed comparative study on crack suppression mechanisms due to the effect of embedded laminar thickness and adjacent ply orientation is presented. Furthermore, we compare the results of in-situ transverse failure strain and strength between the computational models and analytical predictions. Good agreements are generally observed, indicating the constructed computational models are highly accurate to quantify the in-situ effect. Subsequently, empirical formulas for calculating the in-situ strengths as a function of embedded ply thickness and different ply angle between embedded and adjacent plies are developed, during which several material parameters are obtained using a reverse fitting method. Finally, a new set of failure criteria for σ 22 -τ 12 , σ 22 -τ 23 , and σ 11 -τ 12 accounting for the in-situ strengths are proposed to predict laminated composites failure under multi-axial stress states. This study demonstrates an effective and efficient computational technique towards the accurate prediction of the failure behaviors and strengths of cross-ply laminates by including the in-situ effects.

36 MATERIALS SCIENCE↗

Observable measurement-induced transitions

One of the main postulates of quantum mechanics is that measurements destroy quantum coherence (wave function collapse). Recently it was discovered that in a many-body system dilute local measurements still preserve some coherence across the entire system. As the measurement density is increased, a phase transition occurs that is characterized by the disentanglement of different parts of the system. Unfortunately, this transition is impossible to observe experimentally for macroscopic systems because it requires an exponentially costly full tomography of the many-body wave function or a comparison with the simulation on an oracle classical computer. In this work we report the discovery of another measurement-induced phase transition that can be observed experimentally if quantum dynamics can be reversed. On one side of this phase transition the quantum information encoded in some part of the Hilbert space is fully recovered after the time inversion. On the other side, all quantum information is corrupted. This transition also manifests itself as the change in the behavior of the probability to observe the same measurement outcome in the process that consists of identical blocks repeated many times. In each block the unitary evolution is followed by the measurement. On one side of the transition the probability decreases exponentially with the number of repetitions, on the other it tends to a constant as the number of repetitions is increased. We confirm the existence of the proposed phase transition through numerical simulations of realistic quantum circuits and analytical calculations using an effective random-matrix theory model.

Measurement-induced phase transitions↗

Ultrasonic Doppler measurement of renal artery blood flow

Studies were made of (1) blood flow redistribution during lower body negative pressure (LBNP), (2) the profile of blood flow across the mitral annulus of the heart (both perpendicular and parallel to the commissures), (3) testing and evaluation of a number of pulsed Doppler systems, (4) acute calibration of perivascular Doppler transducers, (5) redesign of the mitral flow transducers to improve reliability and ease of construction, and (6) a frequency offset generator designed for use in distinguishing forward and reverse components of blood flow by producing frequencies above and below the offset frequency. Finally methodology was developed and initial results were obtained from a computer analysis of time-varying Doppler spectra.

Freund, W. R.↗

Overlapping emission peaks in the solar C I multiplets at lambda 1560 and lambda 1657

Observations of the C I multiplets at 1560 and 1657 A made with the University of Colorado spectrometer on the OSO 8 satellite are presented and compared with computed profiles for the Vernazza-Avrett-Loeser solar atmosphere. These are optically thick emission lines formed in the solar chromosphere that show the central reversals typical of such lines. In each multiplet there is an interesting case of overlapping emission peaks which shows that such peaks do not constructively combine but instead weaken. This behavior is easily understood and reproduced with an optically thick, non-LTE mode of formation for these lines and is not consistent with an optically thin mechanism. We also find that the shapes of these blends are very sensitive to the magnitude of the nonthermal microvelocities.

Shine, R. A.↗

Observation of gravity waves during the extreme tornado outbreak of 3 April 1974

A continuous wave-spectrum high-frequency radiowave Doppler sounder array was used to observe upper-atmospheric disturbances during an extreme tornado outbreak. The observations indicated that gravity waves with two harmonic wave periods were detected at the F-region ionospheric height. Using a group ray path computational technique, the observed gravity waves were traced in order to locate potential sources. The signals were apparently excited 1-3 hours before tornado touchdown. Reverse ray tracing indicated that the wave source was located at the aurora zone with a Kp index of 6 at the time of wave excitation. The summation of the 24-hour Kp index for the day was 36. The results agree with existing theories (Testud, 1970; Titheridge, 1971; Kato, 1976) for the excitation of large-scale traveling ionospheric disturbances associated with geomagnetic activity in the aurora zone.

Hung, R. J.↗

Biomimetic robots using EAP as artificial muscles - progress and challenges

Biology offers a great model for emulation in areas ranging from tools, computational algorithms, materials science, mechanisms and information technology. In recent years, the field of biomimetics, namely mimicking biology, has blossomed with significant advances enabling the reverse engineering of many animals' functions and implementation of some of these capabilities.

robotics↗

The apparent reversal of the Law of Mass Action in concentrated multicomponent aqueous solutions

Although it is well known that aqueous electrolyte solutions behave non-ideally, few are so non-ideal that adding an electrolyte to a saturated solution with a common ion enhances rather than depresses solubility. Nonetheless, this apparent reversal of the Law of Mass Action (LMA) has been observed in simple nitrate solutions at high concentrations. A leading hypothesis is that ion clusters are formed and stabilized by ions having different charge densities. We report the present study examines this concept, in part by reviewing relevant data from multicomponent aqueous solutions containing sodium nitrate (NaNO 3 ), sodium nitrite (NaNO 2 ), sodium hydroxide (NaOH), and sodium aluminate (NaAl(OH) 4 ) - the major constituents in alkaline nuclear waste. Here, NaOH and NaAl(OH) 4 did not enhance the solubility of NaNO 3 or NaNO 2 , whereas NaNO 2 and NaNO 3 enhanced rather than depressed the solubility of each other despite each having the sodium cation (Na + ) in common. Solutions evaluated in this study have more than 20 molal total Na + concentration, and most have less than one mole of water per mole of ion. Thus, this reversal of the LMA occurs in solutions where there is not enough water to fully hydrate the ions, pointing to the importance of ion cluster formation. Within the composition range of the solutions analyzed here, this reversal of the LMA occurs regardless of NaAl(OH) 4 and NaOH concentrations. Elevated temperatures also result in the reversal of the LMA in the subsystems NaNO 2 -NaNO 3 -H 2 O and NaOH-NaNO 3 -H 2 O, consistent with spectroscopic and computational studies showing enhanced interactions at higher temperatures. Although speciation in these highly concentrated electrolyte solutions is not well understood, the stabilization of ion clusters by: (i) optimizing charge density around the ions through different combinations of mixed cations and anions in solution; and (ii) high temperatures where ions experience prolonged contact, offers important clues for future research into how these species control solubility.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Transporter annotations are holding up progress in metabolic modeling

Mechanistic, constraint-based models of microbial isolates or communities are a staple in the metabolic analysis toolbox, but predictions about microbe-microbe and microbe-environment interactions are only as good as the accuracy of transporter annotations. A number of hurdles stand in the way of comprehensive functional assignments for membrane transporters. These include general or non-specific substrate assignments, ambiguity in the localization, directionality and reversibility of a transporter, and the many-to-many mapping of substrates, transporters and genes. In this perspective, we summarize progress in both experimental and computational approaches used to determine the function of transporters and consider paths forward that integrate both. Investment in accurate, high-throughput functional characterization is needed to train the next-generation of predictive tools toward genome-scale metabolic network reconstructions that better predict phenotypes and interactions. More reliable predictions in this domain will benefit fields ranging from personalized medicine to metabolic engineering to microbial ecology.

Casey, John↗

Comparative efficiency of finite, boundary and hybrid element methods in elastostatics

The comparative computational efficiencies of the finite element (FEM), boundary element (BEM), and hybrid boundary element-finite element (HBFEM) analysis techniques are evaluated for representative bounded domain interior and unbounded domain exterior problems in elastostatics. Computational efficiency is carefully defined in this study as the computer time required to attain a specified level of solution accuracy. The study found the FEM superior to the BEM for the interior problem, while the reverse was true for the exterior problem. The hybrid analysis technique was found to be comparable or superior to both the FEM and BEM for both the interior and exterior problems.

Schwartz, C. W.↗

Research related to improved computer aided design software package

The comparative computational efficiencies of the finite element (FEM), boundary element (BEM), and hybrid boundary element-finite element (HVFEM) analysis techniques are evaluated for representative bounded domain interior and unbounded domain exterior problems in elastostatics. Computational efficiency is carefully defined in this study as the computer time required to attain a specified level of solution accuracy. The study found the FEM superior to the BEM for the interior problem, while the reverse was true for the exterior problem. The hybrid analysis technique was found to be comparable or superior to both the FEM and BEM for both the interior and exterior problems.

Walston, W. H., Jr.↗

Configurations of corotating shocks in the outer heliosphere

Configurations of corotating shocks in the outer heliosphere are computed on the assumption that the shocks move at constant speeds between collisions. The basic physical process is the interaction of a forward shock with a reverse shock. The points at which this interaction takes place are determined algebraically in terms of the initial shock positions and speeds. Between the points at which the shocks interact, the shocks have the form of Archimedian spirals. Shock configurations are determined for the case of two corotating shock pairs originating at 2.5 AU and for a single shock pair at 2.5 AU. In both cases the heliosphere is divided into several distinct regions distinguished by the number of times the particles have passed through a shock. Since the shock strengths decrease when a forward shock interacts with a reverse shock, corotating shocks are expected to be weaker at larger distances from the sun.

Burlaga, L. F.↗

Driven, steady-state RFP computations

The pseudospectral three-dimensional MHD code of Dahlburg et al. (1986 and 1987) is used to compute the dynamical behavior of a channel of magnetofluid carrying an axial current and magnetic flux. This situation contains the essential MHD behavior of the reversed-field pinch (RFP). An externally imposed electric field is applied to an initially current-free magnetofluid and drives currents that rise and eventually fluctuate about values corresponding to pinch ratios Theta of about 1.3, 2.2, and 4.5. A period of violent turbulence leads to an approximately force-free core, surrounded by an active MHD boundary layer that is not force-free. A steady state is reached that can apparently be sustained indefinitely (for several hundred Alfven transit times or longer). The turbulence level and time variability in the steady state increase with increasing Theta. The average toroidal magnetic field at the wall reverses for Theta = 2.2 and 4.5, but not for Theta = 1.3. Negative toroidal current filaments are observed. The Lundquist numbers are of the order of a few hundred.

Dahlburg, J. P.↗

Myths and realities: Defining re-engineering for a large organization

This paper describes the background and results of three studies concerning software reverse engineering, re-engineering, and reuse (R3) hosted by the Internal Revenue Service in 1991 and 1992. The situation at the Internal Revenue--aging, piecemeal computer systems and outdated technology maintained by a large staff--is familiar to many institutions, especially among management information systems. The IRS is distinctive for the sheer magnitude and diversity of its problems; the country's tax records are processed using assembly language and COBOL and spread across tape and network DBMS files. How do we proceed with replacing legacy systems? The three software re-engineering studies looked at methods, CASE tool support, and performed a prototype project using re-engineering methods and tools. During the course of these projects, we discovered critical issues broader than the mechanical definitions of methods and tool technology.

Yin, Sandra↗

Combustion Instabilities Modeled

NASA Lewis Research Center's Advanced Controls and Dynamics Technology Branch is investigating active control strategies to mitigate or eliminate the combustion instabilities prevalent in lean-burning, low-emission combustors. These instabilities result from coupling between the heat-release mechanisms of the burning process and the acoustic flow field of the combustor. Control design and implementation require a simulation capability that is both fast and accurate. It must capture the essential physics of the system, yet be as simple as possible. A quasi-one-dimensional, computational fluid dynamics (CFD) based simulation has been developed which may meet these requirements. The Euler equations of mass, momentum, and energy have been used, along with a single reactive species transport equation to simulate coupled thermoacoustic oscillations. A very simple numerical integration scheme was chosen to reduce computing time. Robust boundary condition procedures were incorporated to simulate various flow conditions (e.g., valves, open ends, and choked inflow) as well as to accommodate flow reversals that may arise during large flow-field oscillations. The accompanying figure shows a sample simulation result. A combustor with an open inlet, a choked outlet, and a large constriction approximately two thirds of the way down the length is shown. The middle plot shows normalized, time-averaged distributions of the relevant flow quantities, and the bottom plot illustrates the acoustic mode shape of the resulting thermoacoustic oscillation. For this simulation, the limit cycle peak-to-peak pressure fluctuations were 13 percent of the mean. The simulation used 100 numerical cells. The total normalized simulation time was 50 units (approximately 15 oscillations), which took 26 sec on a Sun Ultra2.

Paxson, Daniel E.↗

Conditional Pseudo-Reversible Normalizing Flow for Surrogate Modeling in Quantifying Uncertainty Propagation

We introduce a conditional pseudo-reversible normalizing flow (PR-NF) that directly learns conditional probability distributions from noisy physical models to efficiently quantify both forward and inverse uncertainty propagation. Traditional surrogate modeling approaches approximate only the deterministic component of physical models, requiring separate noise characterization and computationally expensive sampling methods for inverse problems. Here, in this work, we develop the conditional PR-NF model to directly learn and efficiently generate samples from the conditional probability density functions (PDFs). The training process utilizes dataset consisting of input-output pairs without requiring prior knowledge about the noise and the function. Once trained, our model efficiently generates samples from conditional PDFs for any input within the training domain. Moreover, the pseudo-reversibility feature allows for the use of fully connected neural network architectures, which simplifies the implementation and enables theoretical analysis. We provide a rigorous convergence analysis of the conditional PR-NF model, showing its ability to converge to the target conditional PDF using the Kullback−Leibler divergence. To demonstrate the effectiveness of our method, we apply it to several benchmark tests and a real-world geologic carbon storage problem.

97 MATHEMATICS AND COMPUTING↗

Atomistic Mechanisms of the Crystallographic Orientation‐Dependent Cu 1.8 S Conductive Channel Formation in Cu 2 S‐Based Memristors

Achieving multiple types of resistive switching in a single material with controlled ionic motion is a key challenge in neuromorphic computing, traditionally addressed by combining materials with distinct switching behaviors. Here, Cu 2-x S is identified as a promising candidate to overcome this limitation due to its hierarchical phase transitions. Using in situ biasing experiments, reversible and non-reversible phase transitions (and resistive switching) are demonstrated in γ-Cu 2 S by controlling the compliance current. The formation of parallel high-digenite Cu 1.8 S channels, orientated along the γ-Cu 2 S [201] crystallographic direction, drives the nonvolatile resistive switching. These channels emerge via an intermediate δ-Cu 2 S phase and are stabilized at room temperature by residual strains, alongside β-Cu 2 S phase. In conclusion, the work clarifies the complex, electrically triggered phase transformations in γ-Cu 2 S, and highlights the potential of Cu 2-x S as a versatile material for neuromorphic computing.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Nickel–Sulfonate Mode of Substrate Binding for Forward and Reverse Reactions of Methyl-SCoM Reductase Suggest a Radical Mechanism Involving Long-Range Electron Transfer

Methyl-coenzyme M reductase (MCR) catalyzes both the synthesis and the anaerobic oxidation of methane (AOM). Its catalytic site contains Ni at the core of cofactor F 430 . The Ni ion, in its low-valent Ni(I) state, lights the fuse leading to homolysis of the C–S bond of methyl-coenzyme M (methyl-SCoM) to generate a methyl radical, which abstracts a hydrogen atom from coenzyme B (HSCoB) to generate methane and the mixed disulfide CoMSSCoB. Direct reversal of this reaction activates methane to initiate anaerobic methane oxidation. On the basis of the crystal structures, which reveal a Ni–thiol interaction between Ni(II)–MCR and inhibitor CoMSH, a Ni(I)–thioether complex with substrate methyl-SCoM has been transposed to canonical MCR mechanisms. Similarly, a Ni(I)–disulfide with CoMSSCoB is proposed for the reverse reaction. However, this Ni(I)–sulfur interaction poses a conundrum for the proposed hydrogen-atom abstraction reaction because the >6 Å distance between the thiol group of SCoB and the thiol of SCoM observed in the structures appears to be too long for such a reaction. The spectroscopic, kinetic, structural, and computational studies described here establish that both methyl-SCoM and CoMSSCoB bind to the active Ni(I) state of MCR through their sulfonate groups, forming a hexacoordinate Ni(I)–N/O complex, not Ni(I)–S. These studies rule out direct Ni(I)–sulfur interactions in both substrate-bound states. As a solution to the mechanistic conundrum, we propose that both the forward and the reverse MCR reactions emanate through long-range electron transfer from the Ni(I)–sulfonate complexes with methyl-SCoM and CoMSSCoB, respectively.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Direct Observation of Alternating Octahedral and Prismatic Sodium Layers in O3-Type Transition Metal Oxides

The oxygen stacking of O3-type layered sodium transition metal oxides (O3-NaTMO 2 ) changes dynamically upon topotactic Na extraction and reinsertion. While the phase transition from octahedral to prismatic Na coordination that occurs at intermediate desodiation by transition metal slab gliding is well understood, the structural evolution at high desodiation, crucial to achieve high reversible capacity, remains mostly uncharted. In this work, the phase transitions of O3-type layered NaTMO 2 at high voltage are investigated by combining experimental and computational approaches. An OP2-type phase that consists of alternating octahedral and prismatic Na layers is directly observed by in situ X-ray diffraction and high-resolution scanning transmission electron microscopy. The origin of this peculiar phase is explained by atomic interactions involving Jahn–Teller active Fe 4+ and distortion tolerant Ti 4+ that stabilize the local Na environment. Finally, the path-dependent desodiation and resodiation pathways are also rationalized in this material through the different kinetics of the prismatic and octahedral layers, presenting a comprehensive picture about the structural stability of the layered materials upon Na intercalation.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗