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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 1,045 records · Page 58
All sourcesNASA NTRSDOE OSTI
DOE OSTI2019

The influence of plasticity-induced crack closure on creep-fatigue crack growth in two heat-resistant steels

Finite element simulations are performed to predict plasticity-induced crack closure and creep-fatigue crack growth rates in two heat-resistant steels, the austenitic 20Cr-25Ni (Alloy 709) and martensitic 9Cr-1Mo (modified 1Cr-9Mo) steels. In a creep-fatigue cycle, total crack growth rate is usually computed by the addition of the fatigue crack growth rate during cyclic loading and creep crack growth rate during hold time. Two-dimensional finite element analyses of compact tension specimens are performed to simulate crack growth under cyclic and time-dependent loading conditions, with the consideration of elastic-plastic and creep deformations of the material at the crack tip. The simulations quantify the effect of hold time on crack opening load induced by the combined action of plasticity-induced crack closure and creep-induced stress relaxation at the crack tip. It is shown that increasing hold time during a creep-fatigue cycle results in a decrease of crack-tip opening load, thus increasing crack growth rate during the next cyclic loading. Experimental results of creep-fatigue crack growth rates in Alloy 709 are presented. The finite element simulations predicted crack growth rates under creep-fatigue loading in agreement with experimental values for both Alloy 709 and modified 9Cr-1Mo steels.

36 MATERIALS SCIENCE↗
DOE OSTI2014

SU-E-QI-11: Measurement of Renal Pyruvate-To-Lactate Exchange with Hyperpolarized 13C MRI

Purpose: Previous work [1] modeling the metabolic flux between hyperpolarized [1-13C]pyruvate and [1-13C]lactate in magnetic resonance spectroscopic imaging (MRSI) experiments failed to account for vascular signal artifacts. Here, we investigate a method to minimize the vascular signal and its impact on the fidelity of metabolic modeling. Methods: MRSI was simulated for renal metabolism in MATLAB both with and without bipolar gradients. The resulting data were fit to a two-site exchange model [1], and the effects of vascular partial volume artifacts on kinetic modeling were assessed. Bipolar gradients were then incorporated into a gradient echo sequence to validate the simulations experimentally. The degree of diffusion weighting (b = 32 s/mm{sup 2}) was determined empirically from 1H imaging of murine renal vascular signal. The method was then tested in vivo using MRSI with bipolar gradients following injection of hyperpolarized [1-{sup 13}C]pyruvate (∼80 mM at 20% polarization). Results: In simulations, vascular signal contaminated the renal metabolic signal at resolutions as high as 2 × 2 mm{sup 2} due to partial volume effects. The apparent exchange rate from pyruvate to lactate (k{sub p}) was underestimated in the presence of these artifacts due to contaminating pyruvate signal. Incorporation of bipolar gradients suppressed vascular signal and improved the accuracy of kp estimation. Experimentally, the in vivo results supported the ability of bipolar gradients to suppress vascular signal. The in vivo exchange rate increased, as predicted in simulations, from k{sub p} = 0.012 s-{sup 1} to k{sub p} = 0.020-{sup 1} after vascular signal suppression. Conclusion: We have demonstrated the limited accuracy of the two-site exchange model in the presence of vascular partial volume artifacts. The addition of bipolar gradients suppressed vascular signal and improved model accuracy in simulations. Bipolar gradients largely affected kp estimation in vivo. Currently, slow-flowing spins in small vessels and capillaries are only partially suppressed, so further improvement is possible. Funding support: Seed Grant from the Radiological Society of North America, GE Healthcare, University of Wisconsin Graduate School.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2024

Data assimilation for combustion ignition delay time simulation using schlieren image velocimetry

This study sought to improve the accuracy of simulating spray penetration and combustion ignition delay by means of data assimilation (DA). The simulations were conducted using the Reynolds-averaged Navier–Stokes (RANS) equations and assimilating the schlieren image data. In DA, an ensemble square root filter (EnSRF) was used to build the statistical model, making the simulation results more accurate without any change in the governing equations. Recognizing that the spray-cone injection angle has a large effect on penetration, we created ensemble members with different injection angles. And we applied the two-component velocity distribution calculated via SIV and updated both velocity and temperature by using a DA statistical model derived from RANS ensemble simulations. The ignition delay time is generally known to vary even under the same experimental conditions because it is influenced by many factors. In this study, we attempted the transient DA-assisted RANS simulation to predict the ignition delay time even when the temporal resolution and accuracy of the observation data ware insufficient. Our trials offer an example of how a combination of techniques can be effectively used to assimilate experimental data obtained under restricted conditions.

Combustion simulation↗
DOE OSTI2015

Surveying galaxy proto-clusters in emission: A large-scale structure at z = 2.44 and the outlook for HETDEX

Galaxy proto-clusters at z≳2 provide a direct probe of the rapid mass assembly and galaxy growth of present-day massive clusters. Because of the need for precise galaxy redshifts for density mapping and the prevalence of star formation before quenching, nearly all the proto-clusters known to date were confirmed by spectroscopy of galaxies with strong emission lines. Therefore, large emission-line galaxy surveys provide an efficient way to identify proto-clusters directly. Here we report the discovery of a large-scale structure at z = 2.44 in the Hobby Eberly Telescope Dark Energy Experiment (HETDEX) Pilot Survey. On a scale of a few tens of Mpc comoving, this structure shows a complex overdensity of Lyα emitters (LAE), which coincides with broadband selected galaxies in the COSMOS/UltraVISTA photometric and zCOSMOS spectroscopic catalogs, as well as overdensities of intergalactic gas revealed in the Lyα absorption maps of Lee et al. We construct mock LAE catalogs to predict the cosmic evolution of this structure. We find that such an overdensity should have already broken away from the Hubble flow, and part of the structure will collapse to form a galaxy cluster with 10{sup 14.5±0.4} M{sub ⊙} by z = 0. The structure contains a higher median stellar mass of broadband selected galaxies, a boost of extended Lyα nebulae, and a marginal excess of active galactic nuclei relative to the field, supporting a scenario of accelerated galaxy evolution in cluster progenitors. Based on the correlation between galaxy overdensity and the z = 0 descendant halo mass calibrated in the simulation, we predict that several hundred 1.9 10{sup 14.5} M{sub ⊙} will be discovered in the 8.5 Gpc{sup 3} of space surveyed by the HETDEX.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2020

Multi-fidelity machine-learning with uncertainty quantification and Bayesian optimization for materials design: Application to ternary random alloys

We present a scale-bridging approach based on a multi-fidelity (MF) machine-learning (ML) framework leveraging Gaussian processes (GP) to fuse atomistic computational model predictions across multiple levels of fidelity. Through the posterior variance of the MFGP, our framework naturally enables uncertainty quantification, providing estimates of confidence in the predictions. We used density functional theory as high-fidelity prediction, while a ML interatomic potential is used as low-fidelity prediction. Practical materials’ design efficiency is demonstrated by reproducing the ternary composition dependence of a quantity of interest (bulk modulus) across the full aluminum–niobium–titanium ternary random alloy composition space. The MFGP is then coupled to a Bayesian optimization procedure, and the computational efficiency of this approach is demonstrated by performing an on-the-fly search for the global optimum of bulk modulus in the ternary composition space. The framework presented in this manuscript is the first application of MFGP to atomistic materials simulations fusing predictions between density functional theory and classical interatomic potential calculations.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2024

Comparison of Loads and Aeroacoustics Between Upwind and Downwind Wind Turbine Rotors

This presentation discusses the motivation, preparation, risk mitigation, execution, and results of a full-scale experiment where the rotor of a 1.5 megawatt wind turbine was operated in a downwind configuration. The experiment took place at the National Renewable Energy Laboratory Flatirons Campus in Colorado, USA, and collected conventional loads and power together with acoustic measurements from an array of four microphones. Results from load simulations complement the experiment. Fatigue loads and performance are compared between 410 minutes of downwind operation with 960 minutes of conventional upwind operations. Downwind operations cause an increase in damage equivalent loads in a few load channels. Damage equivalent load of blade root flapwise and edgewise moment and the damage equivalent load of tower base fore aft moment increase between 2% and 20% depending on the wind speed. The comparison in active power is less conclusive, but experimental results show more power in downwind than predicted by simulations. In terms of acoustics, the overall sound pressure levels are similar between upwind and downwind, but downwind worsens the metrics describing amplitude modulation.

aeroacoustics↗
DOE OSTI2020

Theory of ignition and burn propagation in inertial fusion implosions

A detailed analytic model is presented here to investigate the physics of burn propagation in inertially confined plasmas. The onset of ignition and burn propagation occurs when alpha heating of the hot spot causes rapid ablation of shell mass into the hot spot. This allows large energy gains to be achieved since most of the fuel mass is located in the shell. Here, we first present a comprehensive review of previous analytic models that have been used to describe the physics of hot-spot evolution and ignition; we then show that a proper description of a propagating burn wave requires a comprehensive model of hot spot and shell evolution that includes proper mass conservation in the shell, fusion reactivity, and fuel depletion. The analytic theory is in good agreement with detailed radiation-hydrodynamic simulations that predict the onset of burn propagation as occurring when the yield enhancement caused by alpha heating is between 15- and 25-fold, $f_α$ ~ 1.4, where $f_α$ = alpha energy deposited/hot-spot energy at bang time, and the hot-spot burnup fraction is approximately 2%. We show that the definition of ignition is not sensitive to the alpha-particle stopping power nor asymmetries provided that the absorbed fraction of alpha particles $θ_α$ is correctly accounted for. Finally, we use the results of 2-D simulations to show that even when $θ_α$ is small and unknown (as is true in hot spots with mid modes that have significant leakage of alpha particles into the surrounding cold bubbles), one can still relate the experimentally measureable parameter $\chi^{53}_α$ to the yield amplification and the burning-plasma parameter $Q^{\text{hs}}_α$ = alpha energy deposited/total input work delivered to the hot spot

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2013

Polarization doping and the efficiency of III-nitride optoelectronic devices

The intrinsic polarization is generally considered a nuisance in III-nitride devices, but recent studies have shown that it can be used to enhance p- and n-type conductivity and even to replace impurity doping. We show by numerical simulations that polarization-doped light-emitting diode (LED) structures have a significant performance advantage over conventional impurity-doped LED structures. Our results indicate that polarization doping decreases electric fields inside the active region and potential barriers in the depletion region, as well as the magnitude of the quantum-confined Stark effect. The simulations also predict at least an order of magnitude increase in the current density corresponding to the maximum efficiency (i.e., smaller droop) as compared to impurity-doped structures. The obtained high doping concentrations could also enable, e.g., fabrication of III-N resonant tunneling diodes and improved ohmic contacts.

36 MATERIALS SCIENCE↗
DOE OSTI2014

Modeling laser-induced periodic surface structures: Finite-difference time-domain feedback simulations

A model predicting the formation of laser-induced periodic surface structures (LIPSSs) is presented. That is, the finite-difference time domain method is used to study the interaction of electromagnetic fields with rough surfaces. In this approach, the rough surface is modified by “ablation after each laser pulse,” according to the absorbed energy profile, in order to account for inter-pulse feedback mechanisms. LIPSSs with a periodicity significantly smaller than the laser wavelength are found to “grow” either parallel or orthogonal to the laser polarization. The change in orientation and periodicity follow from the model. LIPSSs with a periodicity larger than the wavelength of the laser radiation and complex superimposed LIPSS patterns are also predicted by the model.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2018

Effect of temporal averaging of meteorological data on predictions of groundwater recharge

Accurate estimates of infiltration and groundwater recharge are critical for many hydrologic, agricultural and environmental applications. Anticipated climate change in many regions of the world, especially in tropical areas, is expected to increase the frequency of high-intensity, short-duration precipitation events, which in turn will affect the groundwater recharge rate. Estimates of recharge are often obtained using monthly or even annually averaged meteorological time series data. In this study we employed the HYDRUS-1D software package to assess the sensitivity of groundwater recharge calculations to using meteorological time series of different temporal resolutions (i.e., hourly, daily, weekly, monthly and yearly averaged precipitation and potential evaporation rates). Calculations were applied to three sites in Brazil having different climatological conditions: a tropical savanna (the Cerrado), a humid subtropical area (the temperate southern part of Brazil), and a very wet tropical area (Amazonia). To simplify our current analysis, we did not consider any land use effects by ignoring root water uptake. Temporal averaging of meteorological data was found to lead to significant bias in predictions of groundwater recharge, with much greater estimated recharge rates in case of very uneven temporal rainfall distributions during the year involving distinct wet and dry seasons. For example, at the Cerrado site, using daily averaged data produced recharge rates of up to 9 times greater than using yearly averaged data. In all cases, an increase in the time of averaging of meteorological data led to lower estimates of groundwater recharge, especially at sites having coarse-textured soils. Lastly, our results show that temporal averaging limits the ability of simulations to predict deep penetration of moisture in response to precipitation, so that water remains in the upper part of the vadose zone subject to upward flow and evaporation.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2019

CMB lensing bispectrum: Assessing analytical predictions against full-sky lensing simulations

We report that cosmic microwave background (CMB) lensing is an integrated effect whose kernel is greater than half the peak value in the range 1 < z < 5. Measuring this effect offers a powerful tool to probe the large-scale structure of the Universe at high redshifts. With the increasing precision of ongoing CMB surveys, other statistics than the lensing power spectrum, in particular the lensing bispectrum, will be measured at high statistical significance. This will provide ways to improve the constraints on cosmological models and lift degeneracies. Following up on an earlier paper, we test analytical predictions of the CMB lensing bispectrum against full-sky lensing simulations, and we discuss their validity and limitation in detail. The tree-level prediction of perturbation theory agrees with the simulation only up to ℓ ~ 200 , but the one-loop order allows capturing the simulation results up to ℓ ~ 600 . We also show that analytical predictions based on fitting formulas for the matter bispectrum agree reasonably well with simulation results, although the precision of the agreement depends on the configurations and scales considered. For instance, the agreement is at the 10% level for the equilateral configuration at multipoles up to ℓ ~ 2000 , but the difference in the squeezed limit increases to more than a factor of 2 at ℓ ~ 2000 . This discrepancy appears to come from limitations in the fitting formula of the matter bispectrum. We also find that the analytical prediction for the post-Born correction to the bispectrum is in good agreement with the simulation. Finally, we conclude by discussing the bispectrum prediction in some theories of modified gravity.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2024

Making Uintah Performance Portable for Department of Energy Exascale Testbeds

To help ease ports to forthcoming Department of Energy (DOE) exascale systems, testbeds have been made available to select users. These testbeds are helpful for preparing codes to run on the same hardware and similar software as in their respective exascale systems. This paper describes how the Uintah Computational Framework, an open-source asynchronous many-task (AMT) runtime system, has been modified to be performance portable across the DOE Crusher, DOE Polaris, and DOE Sunspot testbeds in preparation for portable simulations across the exascale DOE Frontier and DOE Aurora systems. The Crusher, Polaris, and Sunspot testbeds feature the AMD MI250X, NVIDIA A100, and Intel PVC GPUs, respectively. This performance portability has been made possible by extending Uintah’s intermediate portability layer [18] to additionally support the Kokkos::HIP, Kokkos::OpenMPTarget, and Kokkos::SYCL back-ends. This paper also describes notable updates to Uintah’s support for Kokkos, which were required to make this extension possible. Results are shown for a challenging radiative heat transfer calculation, central to the University of Utah’s predictive boiler simulations. These results demonstrate single-source portability across AMD-, NVIDIA-, and Intel-based GPUs using various Kokkos back-ends.

Holmen, John↗
DOE OSTI2015

Design of indirectly driven, high-compression Inertial Confinement Fusion implosions with improved hydrodynamic stability using a 4-shock adiabat-shaped drive

Experimental results from indirectly driven ignition implosions during the National Ignition Campaign (NIC) [M. J. Edwards et al., Phys. Plasmas 20, 070501 (2013)] achieved a record compression of the central deuterium-tritium fuel layer with measured areal densities up to 1.2 g/cm{sup 2}, but with significantly lower total neutron yields (between 1.5 × 10{sup 14} and 5.5 × 10{sup 14}) than predicted, approximately 10% of the 2D simulated yield. An order of magnitude improvement in the neutron yield was subsequently obtained in the “high-foot” experiments [O. A. Hurricane et al., Nature 506, 343 (2014)]. However, this yield was obtained at the expense of fuel compression due to deliberately higher fuel adiabat. In this paper, the design of an adiabat-shaped implosion is presented, in which the laser pulse is tailored to achieve similar resistance to ablation-front instability growth, but with a low fuel adiabat to achieve high compression. Comparison with measured performance shows a factor of 3–10× improvement in the neutron yield (>40% of predicted simulated yield) over similar NIC implosions, while maintaining a reasonable fuel compression of >1 g/cm{sup 2}. Extension of these designs to higher laser power and energy is discussed to further explore the trade-off between increased implosion velocity and the deleterious effects of hydrodynamic instabilities.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2022

Predictive modeling of a subcritical pulverized-coal power plant for optimization: Parameter estimation, validation, and application

As renewable power generation deployment increases, fossil fuel plants are increasingly required to operate more flexibly. Many coal-fired power plants were originally designed to operate at base load and do not operate optimally at partial load. Predictive first-principles plant-wide models can be employed to identify opportunities for flexibility improvements and diagnose low-load operating issues. This paper describes the application of the Institute for the Design of Advanced Energy Systems Integrated Platform (IDAES) to model and optimize flexible power plant operations. The key benefits of using IDAES are that it provides an open-source, fully equation-oriented modeling framework for efficient modular model construction, reuse, and customization, together with a mathematical optimization framework leveraging powerful, state-of-the-art solvers. The process systems engineering workflow from predictive process simulation to parameter estimation, model validation, and plant optimization is applicable to a variety of existing and next-generation energy systems as well as other chemical and environmental processes. Here, to demonstrate this capability, a physics-based, steady-state model was developed to improve full- and part-load performance of the Escalante Generating Station, a 245 MWe (net) subcritical pulverized coal-fired power plant owned and operated by Tri-State Generation and Transmission Association. Specifically, sixty-nine model parameters were simultaneously estimated from several months of operating data enabling prediction of flow rates, temperatures, pressures, and steam quality throughout the plant. The validated model was leveraged by Escalante to reduce the minimum operating load from 90 MW to 50 MW by diagnosing a low-load water-hammer issue, enabling coal usage and emissions reductions during periods of low power demand. Additionally, opportunities for heat rate reduction (i.e., efficiency improvement) through a steeper sliding-pressure approach to load-following and optimization of other boiler operating variables were also identified and quantified. For example, a potential efficiency improvement of 0.7 percentage points was observed at half-load operation.

01 COAL, LIGNITE, AND PEAT↗
DOE OSTI2016

Nonlinear low-frequency electrostatic wave dynamics in a two-dimensional quantum plasma

The problem of two-dimensional arbitrary amplitude low-frequency electrostatic oscillation in a quasi-neutral quantum plasma is solved exactly by elementary means. In such quantum plasmas we have treated electrons quantum mechanically and ions classically. The exact analytical solution of the nonlinear system exhibits the formation of dark and black solitons. Numerical simulation also predicts the possible periodic solution of the nonlinear system. Nonlinear analysis reveals that the system does have a bifurcation at a critical Mach number that depends on the angle of propagation of the wave. The small-amplitude limit leads to the formation of weakly nonlinear Kadomstev–Petviashvili solitons.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2014

Raising gradient limitations in 2.1 GHz superconducting photonic band gap accelerator cavities

We report results from recent 2.1 GHz superconducting radio frequency (SRF) photonic band gap (PBG) resonator experiments at Los Alamos. Two 2.1 GHz PBG cells with elliptical rods were fabricated and tested at high power in a liquid helium bath at the temperatures of 4 K and below 2 K. The described SRF PBG cells were designed with a particular emphasis on changing the shape of the PBG rods to reduce peak surface magnetic fields and at the same time to preserve its effectiveness at damping higher-order-modes. The superconducting PBG cavities have great potential for damping long-range wakefields in SRF accelerator structures without affecting the fundamental accelerating mode. The cells performed in accordance with simulation's predictions and the maximum achieved accelerating gradient was 18.3 MV/m. This represents a 30% increase over gradients previously demonstrated in superconducting PBG cavities with round rods.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2013

Computational Fluid Dynamics Analysis of Flexible Duct Junction Box Design

IBACOS explored the relationships between pressure and physical configurations of flexible duct junction boxes by using computational fluid dynamics (CFD) simulations to predict individual box parameters and total system pressure, thereby ensuring improved HVAC performance. Current Air Conditioning Contractors of America (ACCA) guidance (Group 11, Appendix 3, ACCA Manual D, Rutkowski 2009) allows for unconstrained variation in the number of takeoffs, box sizes, and takeoff locations. The only variables currently used in selecting an equivalent length (EL) are velocity of air in the duct and friction rate, given the first takeoff is located at least twice its diameter away from the inlet. This condition does not account for other factors impacting pressure loss across these types of fittings. For each simulation, the IBACOS team converted pressure loss within a box to an EL to compare variation in ACCA Manual D guidance to the simulated variation. IBACOS chose cases to represent flows reasonably correlating to flows typically encountered in the field and analyzed differences in total pressure due to increases in number and location of takeoffs, box dimensions, and velocity of air, and whether an entrance fitting is included. The team also calculated additional balancing losses for all cases due to discrepancies between intended outlet flows and natural flow splits created by the fitting. In certain asymmetrical cases, the balancing losses were significantly higher than symmetrical cases where the natural splits were close to the targets. Thus, IBACOS has shown additional design constraints that can ensure better system performance.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗