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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
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

The impact of swirl and wake strength on turbulent axisymmetric wake evolution

Here, an experimental investigation of swirl and wake strength influence on axisymmetric turbulent wake evolution was conducted. A novel wake generator design wire mounted in a wind tunnel test section with low free-stream turbulence produced wake Reynolds numbers based on momentum thickness and free-stream velocity in excess of 14000 and swirl numbers up to 0.4 with minimal blockage. Steady-state blade element momentum simulations of reference wind turbine designs indicated that wind turbines operate in the flow regimes studied, indicating the practical aspects of this work. Stereoscopic particle image velocimetry was used to acquire three components of velocity in the swirling wake at locations up to approximately ten diameters downstream. Quantitative measures of wake growth and decay were deduced using available equilibrium similarity scaling for the swirling wake. The results show an increase above 50% in growth and axial velocity decay rate constants over the range of swirl strength studied compared to those of the non-swirling wake. Tangential velocity decay constants were shown to decrease with swirl strength over the range of conditions studied. Notably, changes in wake strength have little influence on growth and decay rates when compared to changes in swirl strength for the flow regimes studied in this work.

17 WIND ENERGY↗
DOE OSTI2021

Identification of crystal plasticity model parameters by multi-objective optimization integrating microstructural evolution and mechanical data

Crystal plasticity models evolve a polycrystalline yield surface using meso-scale descriptions of deformation mechanisms. The activation of deformation mechanisms is governed by crystallography and a set of model parameters, which are typically calibrated through the fitting of mechanical data such as stress–strain curves and elastic lattice strains. Microstructural data such as phase fractions and texture evolution are used for verifying crystal plasticity parameters. In this study, we use a multi-objective genetic algorithm to identify hardening parameters from flow stress curves with an option to incorporate texture into the optimization approach. Robust, generalized objective functions are developed and used to identify sets of parameters pertaining to dislocation density-based hardening laws in visco-plastic and elasto-plastic self-consistent (VPSC and EPSC) homogenization models. First, the parameters are identified for pure Nb directly from texture using an objective function based on generalized spherical harmonics. Since texture evolution is driven by the relative contribution of active slip systems, the parameters governing the evolution of slip resistance ratios can be recovered from fitting discrete textures at a series of strains. Next, a comprehensive set of load reversal data for dual phase (DP) 780 steel is used to fit a hardening law and a back-stress law in EPSC. Finally, parameters pertaining to a complex hardening law for the evolution of slip and twinning in pure α-Ti are identified. Remarkably, using texture as an objective in combination with stress–strain objectives constrains the model of Ti to fully reproduce not only stress–strain and texture evolution but also hierarchical twinning measurements as a function of initial grain size and texture. Furthermore, given an appropriate model fit to representative experimental texture evolution, underlying twin volume fractions contributing to texture evolution can be predicted.

42 ENGINEERING↗
DOE OSTI2026

Preheat effects in laser-driven Rayleigh–Taylor instability experiments at intensities greater than $10^{15}$ $\textrm{W}$ $\textrm{cm}^{-2}$ at OMEGA EP and the NIF

The propagation of high-energy X-rays or hot electrons have the potential to alter the initial conditions in experimental target designs, especially at material interfaces, for laser-driven inertial confinement fusion (ICF) and high-energy density (HED) experimental platforms. Hot-electron preheat can drastically modify the initial conditions of experimental targets used to study the deceleration-stage Rayleigh–Taylor instability (RTI) both with and without applied magnetic fields. Therefore, it is necessary to understand and quantify the impact of hot-electron preheat. The hydrodynamic (HD) capabilities in the Ares code are used to study the effects varying levels of preheat can have on RTI evolution. The experimental and computational studies presented in this work demonstrate that at high laser intensities of around or greater than 10 15 W cm −2 , there is hot-electron generation from laser plasma instabilities which induces substantial preheat and impacts the morphology of RTI evolution and even inhibits the intended RTI growth such that it is not observable experimentally. The necessity of better quantifying hot-electron induced preheat and mitigating its impact on such high-intensity direct-drive laser experiments in the future is discussed.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2018

Experimental Validation of UO 2 Microstructural Evolutions for NEAMS Tool MARMOT (Final Report)

The project was aimed at experimentally validating the NEAMS tool MARMOT for predicting the GB migration and pore and GB interaction in UO 2 oxide fuel under the driving forces of high temperatures and large temperature gradient anticipated in a LWR fuels. By performing the well-aligned experiments and simulations simultaneously using precisely defined initial conditions, the high-quality experiment data will provide a direct benchmarking of the MARMOT code by evaluating the fidelity of physics, materials science principles and models, and the coupling of multi-physics solutions. A bottom up approach will be used by studying each specific behavior while the code will be statistically validated again the overall structural evolution. The GB energy, specific GB mobility, grain growth kinetic, GB interaction with pores, and effects of large temperature gradients will be specifically studied using experiments. The isothermal grain growth, grain growth under large temperature gradient, and pore and GB interactions will be modeled using 2-D or 3-D simulations. Four questions will be answered at the conclusion of this project: Is the anisotropic grain boundary energy model able to better represent a real view the grain property and would it have a significant impact on the grain growth behavior? Is the classical Zener pinning model in MARMOT sufficient for representing the retarding effect on grain gain boundary migration from pores? Does the temperature gradient have a minimum impact on the average grain growth behavior at varied average temperatures and temperature gradients? Does the pore migrate towards the high temperature domain at the velocities predicted by MARMOT code?

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2019

Experimental setup combining in situ hard X-ray photoelectron spectroscopy and real-time surface X-ray diffraction for characterizing atomic and electronic structure evolution during complex oxide heterostructure growth

We describe the next-generation system for in situ characterization of a complex oxide thin film and heterostructure growth by pulsed laser deposition (PLD) using synchrotron hard X-rays. The system consists of a PLD chamber mounted on a diffractometer allowing both real-time surface X-ray diffraction (SXRD) and in situ hard X-ray photoelectron spectroscopy (HAXPES). HAXPES is performed in the incident X-ray energy range from 4 to 12 keV using a Scienta EW4000 electron energy analyzer mounted on the PLD chamber fixed parallel with the surface normal. In addition to the standard application mode of HAXPES for disentangling surface from bulk properties, the increased penetration depth of high energy photoelectrons is used for investigation of the electronic structure changes through thin films grown deliberately as variable thickness capping layers. Such heterostructures represent model systems for investigating a variety of critical thickness and dead layer phenomena observed at complex oxide interfaces. In this new mode of operation, in situ HAXPES is used to determine the electronic structure associated with unique structural features identified by real-time SXRD during thin film growth. The system is configured for using both laboratory excitation sources off-line and on-line operation at beamline 33-ID-D at the Advanced Photon Source. We illustrate the performance of the system by preliminary scattering and spectroscopic data on oxygen vacancy ordering induced perovskite-to-brownmillerite reversible phase transformation in La 2/3 Sr 1/3 MnO 3 films capped with oxygen deficient SrTiO 3–δ (100) layers of varying thickness.

47 OTHER INSTRUMENTATION↗
DOE OSTI2016

Shear-Coupled Grain Growth and Texture Development in a Nanocrystalline Ni-Fe Alloy during Cold Rolling

The evolution of texture, grain size, grain shape, dislocation and twin density has been determined by synchrotron X-ray diffraction and line profile analysis in a nanocrystalline Ni- Fe alloy after cold rolling along different directions related to the initial fiber and the long axis of grains. The texture evolution has been simulated by the Taylor-type relaxed constraints viscoplastic polycrystal model. The simulations were based on the activity of partial dislocations in correlation with the experimental results of dislocation density determination. The concept of stress-induced shear-coupling is supported and strengthened by both the texture simulations and the experimentally determined evolution of the microstructure parameters. Grain-growth and texture evolution are shown to proceed by the shear-coupling mechanism supported by dislocation activity as long as the grain size is not smaller than about 20 nm.

Dislocation mechanism of grain growth↗
DOE OSTI2021

Perspectives on multiscale modelling and experiments to accelerate materials development for fusion

Prediction of material performance in fusion reactor environments relies on computational modelling, and will continue to do so until the first generation of fusion power plants come on line and allow long-term behaviour to be observed. In the meantime, the modelling is supported by experiments that attempt to replicate some aspects of the eventual operational conditions. In 2019, a group of leading experts met under the umbrella of the IEA to discuss the current position and ongoing challenges in modelling of fusion materials and how advanced experimental characterisation is aiding model improvement. This review draws from the discussions held during that workshop. Topics covering modelling of irradiation-induced defect production and fundamental properties, gas behaviour, clustering and segregation, defect evolution and interactions are discussed, as well as new and novel multiscale simulation approaches, and the latest efforts to link modelling to experiments through advanced observation and characterisation techniques.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2023

Deep mutational scanning reveals the molecular determinants of RNA polymerase-mediated adaptation and tradeoffs

RNA polymerase (RNAP) is emblematic of complex biological systems that control multiple traits involving trade-offs such as growth versus maintenance. Laboratory evolution has revealed that mutations in RNAP subunits, including RpoB, are frequently selected. However, we lack a systems view of how mutations alter the RNAP molecular functions to promote adaptation. We, therefore, measured the fitness of thousands of mutations within a region of rpoB under multiple conditions and genetic backgrounds, to find that adaptive mutations cluster in two modules. Mutations in one module favor growth over maintenance through a partial loss of an interaction associated with faster elongation. Mutations in the other favor maintenance over growth through a destabilized RNAP-DNA complex. The two molecular handles capture the versatile RNAP-mediated adaptations. Combining both interaction losses simultaneously improved maintenance and growth, challenging the idea that growth-maintenance tradeoff resorts only from limited resources, and revealing how compensatory evolution operates within RNAP.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2019

Contribution of chiral three-body forces to the monopole component of the effective shell-model Hamiltonian

We present a study of the role played by realistic three-body forces in providing a reliable monopole component of the effective shell-model Hamiltonian. To this end, starting from a nuclear potential built up within the chiral perturbation theory, we derive effective shell-model Hamiltonians with and without the contribution of the three-body potential and compare the results of shell-model calculations with a set of observables that evidence shell-evolution properties. The testing ground of our investigation is nuclei belonging to the fp shell, since the shell-evolution towards shell closures in 48 Ca and 56 Ni provides a paradigm for shell-model Hamiltonians. Furthermore, our analysis shows that only by including contributions of the three-body force is the monopole component of the effective shell-model Hamiltonian then able to reproduce the experimental shell evolution towards and beyond the closure at N = 28.

39 ≤ A ≤ 58↗
DOE OSTI2011

Feedback control of major disruptions in International Thermonuclear Experimental Reactor

It is argued that major disruptions in ITER can be avoided by the feedback control of the causative MHD precursors. The sensors will be 2D-arrays of ECE detectors and the suppressors will be modulated ECH beams injected radially to produce non-thermal radial pressures to counter the radial dynamics of MHD modes. The appropriate amplitude and phase of this signal can stabilize the relevant MHD modes and prevent their evolution to a major disruption. For multimode MHD precursors, an optimal feedback scheme with a Kalman filter is discussed.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2011

A numerical and experimental study on the nonlinear evolution of long-crested irregular waves

The spatial evolution of nonlinear long-crested irregular waves characterized by the JONSWAP spectrum is studied numerically using a nonlinear wave model based on a pseudospectral (PS) method and the modified nonlinear Schroedinger (MNLS) equation. In addition, new laboratory experiments with two different spectral bandwidths are carried out and a number of wave probe measurements are made to validate these two wave models. Strongly nonlinear wave groups are observed experimentally and their propagation and interaction are studied in detail. For the comparison with experimental measurements, the two models need to be initialized with care and the initialization procedures are described. The MNLS equation is found to approximate reasonably well for the wave fields with a relatively smaller Benjamin-Feir index, but the phase error increases as the propagation distance increases. The PS model with different orders of nonlinear approximation is solved numerically, and it is shown that the fifth-order model agrees well with our measurements prior to wave breaking for both spectral bandwidths.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2016

Pore Space Connectivity and the Transport Properties of Rocks

Pore connectivity is likely one of the most important factors affecting the permeability of reservoir rocks. Furthermore, connectivity effects are not restricted to materials approaching a percolation transition but can continuously and gradually occur in rocks undergoing geological processes such as mechanical and chemical diagenesis. Here, we compiled sets of published measurements of porosity, permeability and formation factor, performed in samples of unconsolidated granular aggregates, in which connectivity does not change, and in two other materials, sintered glass beads and Fontainebleau sandstone, in which connectivity does change. We compared these data to the predictions of a Kozeny-Carman model of permeability, which does not account for variations in connectivity, and to those of Bernabé et al. (2010, 2011) model, which does [Bernabé Y., Li M., Maineult A. (2010) Permeability and pore connectivity: a new model based on network simulations, J. Geophys. Res. 115, B10203; Bernabé Y., Zamora M., Li M., Maineult A., Tang Y.B. (2011) Pore connectivity, permeability and electrical formation factor: a new model and comparison to experimental data, J. Geophys. Res. 116, B11204]. Both models agreed equally well with experimental data obtained in unconsolidated granular media. But, in the other materials, especially in the low porosity samples that had undergone the greatest amount of sintering or diagenesis, only Bernabé et al. model matched the experimental data satisfactorily. In comparison, predictions of the Kozeny-Carman model differed by orders of magnitude. The advantage of the Bernabé et al. model was its ability to account for a continuous, gradual reduction in pore connectivity during sintering or diagenesis. Though we can only speculate at this juncture about the mechanisms responsible for the connectivity reduction, we propose two possible mechanisms, likely to be active at different stages of sintering and diagenesis, and thus allowing the gradual evolution observed experimentally.

58 GEOSCIENCES↗
DOE OSTI2016

A multiscale coupled finite-element and phase-field framework to modeling stressed grain growth in polycrystalline thin films

A previously-developed finite-deformation- and crystal-elasticity-based constitutive theory for stressed grain growth in cubic polycrystalline bodies has been augmented to include a description of excess surface energy and grain-growth stagnation mechanisms through the use of surface effect state variables in a thermodynamically-consistent manner. The constitutive theory was also implemented into a multiscale coupled finite-element and phase-field computational framework. With the material parameters in the constitutive theory suitably calibrated, our three-dimensional numerical simulations show that the constitutive model is able to accurately predict the experimentally-determined evolution of crystallographic texture and grain size statistics in polycrystalline copper thin films deposited on polyimide substrate and annealed at high-homologous temperatures. In particular, our numerical analyses show that the broad texture transition observed in the annealing experiments of polycrystalline thin films is caused by grain growth stagnation mechanisms. - Graphical abstract: - Highlights: • Developing a theory for stressed grain growth in polycrystalline thin films. • Implementation into a multiscale coupled finite-element and phase-field framework. • Quantitative reproduction of the experimental grain growth data by simulations. • Revealing the cause of texture transition to be due to the stagnation mechanisms.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2021

Adaptive differentiation and rapid evolution of a soil bacterium along a climate gradient

Significance Increasing evidence suggests that evolutionary processes frequently shape ecological patterns; however, most microbiome studies thus far have focused on only the ecological responses of these communities. By using parallel field experiments and focusing in on a model soil bacterium, we showed that bacterial “species” are differentially adapted to local climates, leading to changes in their composition. Furthermore, we detected strain-level evolution, providing direct evidence that both ecological and evolutionary processes operate on annual timescales. The consideration of eco-evolutionary dynamics may therefore be important to understand the response of soil microbiomes to future environmental change.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2024

Extending evolutionary forecasts across bacterial species

Improving evolutionary forecasting requires progressing from studying repeated evolution of a single genotype under identical conditions to formulating broad principles. These principles should enable predictions of how similar species will adapt to similar selective pressures. Evolve-and-resequence experiments with multiple species allow testing forecasts on different biological levels and elucidating the causes for failed predictions. Here, we show that forecasts for adaptation to static culture conditions can be extended to multiple species by testing previous predictions for Pseudomonas syringae and Pseudomonas savastanoi. In addition to sequence divergence, these species differ in their repertoire of biofilm regulatory genes and structural components. Consistent with predictions, both species repeatedly produced biofilm mutants with a wrinkly spreader phenotype. Predominantly, mutations occurred in the wsp operon, with less frequent promoter mutations near uncharacterized diguanylate cyclases. However, mutational patterns differed on the gene level, which was explained by a lack of conservation in relative fitness of mutants between more divergent species. The same mutation was the most frequent for both species suggesting that conserved mutation hotspots can increase parallel evolution. This study shows that evolutionary forecasts can be extended across species, but that differences in the genotype–phenotype–fitness map and mutational biases limit predictability on a detailed molecular level.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2020

Adaptive Laboratory Evolution for algal strain improvement: methodologies and applications

Originally developed in bacterial and fungal models, Adaptive Laboratory Evolution (ALE) experimentally selects for targeted phenotypes by allowing cells containing beneficial random genetic mutations to replicate more quickly in the presence of environmental stress. When applied to microalgae, this technique has been used to increase growth rate, stress tolerance, substrate utilization, and product yield. This review discusses ALE experimental design parameters, and summarizes key results and lessons learned from recent microalgal ALE studies. By documenting the current state of the field, we provide insight on the ways microalgal ALE might be used to develop commercially viable biotechnology strains.

09 BIOMASS FUELS↗
DOE OSTI2012

A surface enhanced Raman spectroscopy study of aminothiophenol and aminothiophenol-C{sub 60} self-assembled monolayers: Evolution of Raman modes with experimental parameters

P-aminothiophenol (PATP) is a well-known molecule for the preparation of self-assembled monolayers on gold via its thiol functional group. After adsorption, it has been demonstrated that this molecule is anchored to gold through its thiol group, and standing nearly upright at the surface with the amino functional group on top. This molecule has been extensively studied by surface enhanced Raman spectroscopy but its exact SERS spectrum remains unclear. Here, we demonstrate that it can be strongly affected by at least two experimental parameters: laser power and layer density. Those features are discussed in terms of a dimerization of the PATP molecules. The free amino group affords the adsorption of other molecules such as C{sub 60}. In this case, a complex multilayer system is formed and the question of its precise characterisation remains a key point. In this article, we demonstrate that surface enhanced Raman spectroscopy combined with x ray photoelectron spectroscopy can bring very important information about the organization of such a self-assembled multilayer on gold. In our study, the strong evolution of Raman modes after C{sub 60} adsorption suggests a change in the organization of aminothiophenol molecules during C{sub 60} adsorption. These changes, also observed when the aminothiophenol layer is annealed in toluene, do not prevent the adsorption of C{sub 60} molecules.

36 MATERIALS SCIENCE↗