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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 1,243 records · Page 69
All sourcesNASA NTRSDOE OSTI
DOE OSTI2014

NuSTAR OBSERVATIONS AND BROADBAND SPECTRAL ENERGY DISTRIBUTION MODELING OF THE MILLISECOND PULSAR BINARY PSR J1023+0038

We report the first hard X-ray (3-79 keV) observations of the millisecond pulsar (MSP) binary PSR J1023+0038 using NuSTAR. This system has been shown transiting between a low-mass X-ray binary (LMXB) state and a rotation-powered MSP state. The NuSTAR observations were taken in both LMXB state and rotation-powered state. The source is clearly seen in both states up to ∼79 keV. During the LMXB state, the 3-79 keV flux is about a factor of 10 higher than in the rotation-powered state. The hard X-rays show clear orbital modulation during the X-ray faint rotation-powered state but the X-ray orbital period is not detected in the X-ray bright LMXB state. In addition, the X-ray spectrum changes from a flat power-law spectrum during the rotation-powered state to a steeper power-law spectrum in the LMXB state. We suggest that the hard X-rays are due to the intrabinary shock from the interaction between the pulsar wind and the injected material from the low-mass companion star. During the rotation-powered MSP state, the X-ray orbital modulation is due to Doppler boosting of the shocked pulsar wind. At the LMXB state, the evaporating matter of the accretion disk due to the gamma-ray irradiation from the pulsar stops almost all the pulsar wind, resulting in the disappearance of the X-ray orbital modulation.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2017

Assessment of bifacial photovoltaic module power rating methodologies–inside and out

One-sun power ratings for bifacial modules are currently undefined. This is partly because there is no standard definition of rear irradiance given 1000 W·m -2 on the front. Using field measurements and simulations, we evaluate multiple deployment scenarios for bifacial modules and provide details on the amount of irradiance that could be expected. A simplified case that represents a single module deployed under conditions consistent with existing one-sun irradiance standards lead to a bifacial reference condition of 1000 W·m -2 G front and 130-140 W·m -2 G rear . For fielded systems of bifacial modules, Grear magnitude and spatial uniformity will be affected by self-shade from adjacent modules, varied ground cover, and ground-clearance height. A standard measurement procedure for bifacial modules is also currently undefined. A proposed international standard is under development, which provides the motivation for this paper. Here, we compare field measurements of bifacial modules under natural illumination with proposed indoor test methods, where irradiance is only applied to one side at a time. The indoor method has multiple advantages, including controlled and repeatable irradiance and thermal environment, along with allowing the use of conventional single-sided flash test equipment. The comparison results are promising, showing that indoor and outdoor methods agree within 1%-2% for multiple rear-irradiance conditions and bifacial module construction. Furthermore, a comparison with single-diode theory also shows good agreement to indoor measurements, within 1%-2% for power and other current-voltage curve parameters.

14 SOLAR ENERGY↗
DOE OSTI2016

Systematic parameter study of a nonlinear electromagnetic energy harvester with matched magnetic orientation: Numerical simulation and experimental investigation

Here, this paper reports the systematic parameter study of a tristable nonlinear electromagnetic energy harvester for ambient low-frequency vibration. Numerical simulations and experimental investigations are performed on the harvester which consists of a cantilever beam, a tip coil, two tip magnets and two external side magnets. The external side magnets are deployed symmetrically along a concave surface parallel to the trajectory of the cantilever tip with a controllable distance so that the magnetic orientation of the tip magnets are matched with that of the side magnets. Therefore, instead of the ternary position parameters (d, h, α), a binary parameters pair (d 0 , d) is used to characterize the position of the side magnets and the performance of the energy harvester. The magnetic force and magnetic field on the cantilever tip therefore depend on the relative distance in the tip displacement direction between the tip magnets and side magnets, but is independent of the position of the side magnets on the concave surface. The magnetic force (field)-distance relationship is measured experimentally and curve fitted to obtain explicit expressions, in order to characterize the magnetic force (field) when the side magnets are placed at varied positions along the concave surface. Numerical simulation is, then, performed to predict the electromagnetic voltage output and the bandwidth of the energy harvester. The simulation results coincided with the measured data. Significant broadband response is obtained experimentally and the maximum RMS power output is 40.2 mW at 0.45 g of excitation. Furthermore, the proposed structure showcasing the matched magnetic orientation is characterized by the binary parameters pair (d 0 , d) and the systematic parametric approach could contribute to the design and study of nonlinear broadband energy harvesters.

30 DIRECT ENERGY CONVERSION↗
DOE OSTI2016

Evaluating performance of two-group interfacial area transport equation for vertical small and large diameter pipes

In the two-fluid transport model, the coupling of mass, momentum and energy transfer between phases is highly dependent on interfacial area transfer terms. Several research efforts in the past have been focused on the development of an interfacial area transport equation model (IATE), in order to eliminate the drawbacks of static flow regime maps currently used in best-estimate thermal-hydraulic system codes. The IATE attempts to model the dynamics that are involved in two phase flows by accounting for the different interaction mechanisms affecting bubble transport in the flow. The further development and validation of IATE models has been hindered by the lack of adequate experimental data in regions beyond the bubbly flow regime. At the Helmholtz-Zentrum Dresden-Rossendorf (HZDR) experiments utilizing wire mesh sensors have been performed over all flow regimes, establishing a database of high-resolution (in space and time) data. Two sets of data from small and large diameter pipes fitted with wire mesh sensors is utilized in this work. Analysis of flow conditions in the bubbly, churn turbulent and annular flow regimes is presented. The performance of the Fu-Ishii two-group model is evaluated against small diameter database. Results indicate good performance (< 10% error) for small group 1 bubbles, and poor performance for large group 2 bubbles. The Smith two-group large diameter IATE model is evaluated for the large diameter database. In low void-fraction regimes, the Smith model performs well. In high void-fraction regimes, there is poor group-wise interfacial area prediction - however the total interfacial area is erroneously predicted well as group-wise errors compensate each other. Overall, the study suggests that further efforts and re-evaluation of closure terms are needed in order to extend the range of validity of the IATE models. (authors)

42 ENGINEERING↗
DOE OSTI2022

The DESI N -body Simulation Project – II. Suppressing sample variance with fast simulations

ABSTRACT Dark Energy Spectroscopic Instrument (DESI) will construct a large and precise three-dimensional map of our Universe. The survey effective volume reaches $\sim 20\, h^{-3}\, \mathrm{Gpc}^{3}$. It is a great challenge to prepare high-resolution simulations with a much larger volume for validating the DESI analysis pipelines. AbacusSummit is a suite of high-resolution dark-matter-only simulations designed for this purpose, with $200\, h^{-3}\, \mathrm{Gpc}^{3}$ (10 times DESI volume) for the base cosmology. However, further efforts need to be done to provide a more precise analysis of the data and to cover also other cosmologies. Recently, the CARPool method was proposed to use paired accurate and approximate simulations to achieve high statistical precision with a limited number of high-resolution simulations. Relying on this technique, we propose to use fast quasi-N-body solvers combined with accurate simulations to produce accurate summary statistics. This enables us to obtain 100 times smaller variance than the expected DESI statistical variance at the scales we are interested in, e.g. $k \lt 0.3\, h\, \mathrm{Mpc}^{-1}$ for the halo power spectrum. In addition, it can significantly suppress the sample variance of the halo bispectrum. We further generalize the method for other cosmologies with only one realization in AbacusSummit suite to extend the effective volume ∼20 times. In summary, our proposed strategy of combining high-fidelity simulations with fast approximate gravity solvers and a series of variance suppression techniques sets the path for a robust cosmological analysis of galaxy survey data.

cosmology: theory↗
DOE OSTI2014

Hidden regularity and universal classification of fast side chain motions in proteins

Proteins display characteristic dynamical signatures that appear to be universal across all proteins regardless of topology and size. Here, we systematically characterize the universal features of fast side chain motions in proteins by examining the conformational energy surfaces of individual residues obtained using enhanced sampling molecular dynamics simulation (618 free energy surfaces obtained from 0.94 s MD simulation). The side chain conformational free energy surfaces obtained using the adaptive biasing force (ABF) method for a set of eight proteins with different molecular weights and secondary structures are used to determine the methyl axial NMR order parameters (O axis 2 ), populations of side chain rotamer states (ρ), conformational entropies (S conf ), probability fluxes, and activation energies for side chain inter-rotameric transitions. The free energy barriers separating side chain rotamer states range from 0.3 to 12 kcal/mol in all proteins and follow a trimodal distribution with an intense peak at ~5 kcal/mol and two shoulders at ~3 and ~7.5 kcal/mol, indicating that some barriers are more favored than others by proteins to maintain a balance between their conformational stability and flexibility. The origin and the influences of the trimodal barrier distribution on the distribution of O axis 2 and the side chain conformational entropy are discussed. A hierarchical grading of rotamer states based on the conformational free energy barriers, entropy, and probability flux reveals three distinct classes of side chains in proteins. A unique nonlinear correlation is established between O axis 2 and the side chain rotamer populations (ρ). In conclusion, the apparent universality in O axis 2 versus correlation, trimodal barrier distribution, and distinct characteristics of three classes of side chains observed among all proteins indicates a hidden regularity (or commonality) in the dynamical heterogeneity of fast side chain motions in proteins.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2023

MOOSE: A Modular Platform for Fission and Fusion Multiphysics

The Multiphysics Object-Oriented Simulation Environment (MOOSE) Framework, as well as MOOSE-based simulation tools, have accelerated the development of fission energy and advanced reactor technologies through the United States Department of Energy, Office of Nuclear Science, Nuclear Energy Advanced Modeling & Simulation (NEAMS) Program. MOOSE contains a complete platform of multiphysics simulation capabilities, capable of running on massively parallel systems, and is developed in an open-source manner with great attention paid to high-quality software quality assurance practices. This overall approach could greatly benefit the fusion energy community, which requires rapid design iteration and improvement in order to facilitate the successful development of fusion as an alternative energy source to fossil fuels. In the first half of this talk, applications of MOOSE and MOOSE-based tools for advanced reactor designs will be showcased, as well as MOOSE ecosystem infrastructure (such as the NEAMS Virtual Test Bed) that enables and accelerates fission reactor design. In the second half, a discussion of how the MOOSE approach to modeling and simulation is currently being applied internationally in fusion energy research and development at the United Kingdom Atomic Energy Authority will be discussed, and ongoing/future domestic research efforts will be highlighted.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2019

Studies of NMR, molecular docking, and molecular dynamics simulation of new promising inhibitors of cruzaine from the parasite Trypanosoma cruzi

Cruzaine is the major cysteine protease of Trypanosoma cruzi. Cruzaine is involved throughout the parasite’s life cycle in host cells, and is a promising target in the search for new antichagasic agents. Quantum chemical calculations based on density functional theory (DFT B3LYP/cc-pVDZ) were performed to obtain nuclear magnetic resonance data and to optimize the geometry of four dihydrochalcones. The results showed good agreement with the experimental data and were used to suggest the relative stereochemistry of one of the four dihydrochalcones studied. In addition, we evaluated the interaction of cruzaine with these new inhibitors. We used molecular dynamics simulations, free energy calculations, and a per-residue energy decomposition method. It was observed that these molecules are capable of interacting with residues important for enzymatic activity, like Cys25, His161, and Asp160. The ranking of the inhibitors obtained from the binding free energy calculations is in agreement with that experimentally reported. The evaluation of the energy components involved in these calculations demonstrated that the van der Waals term is the major contributor to the drug–receptor stabilizing interactions.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2023

Preliminary verification of the MCNP perturbation and fixed-source tally sensitivity tools

Integral benchmark experiments are vital in the adjustment and validation of the nuclear data that govern predictive simulations across the nuclear community. The nuclear data sensitivity capabilities of the Monte Carlo N-Particle (MCNP ®) transport code are currently limited; however, expanding sensitivity capabilities will allow benchmark experiments to be designed to resolve compensating errors and adjust nuclear data where previously prohibitively difficult. This paper provides details of a preliminary verification for the use of (i.) the recently revised perturbation and (ii.) developmental fixed-source sensitivity tools within MCNP to calculate sensitivities of tallied responses (such as current integrated over a surface, F1, and flux averaged over a cell, F4) to nuclear data in fixed-source simulations. Energy-binned and energy-integrated sensitivities calculated with these tools are compared against sensitivities calculated using a central-difference approximation. Here, the verification is completed for four configurations of a benchmarked system using a 4.5-kg plutonium sphere surrounded by varying amounts of copper and/or polyethylene. The results show that sensitivities calculated with the perturbation and fixed-source sensitivity tools agree with the central-difference-based approach.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2016

Floquet–Magnus theory and generic transient dynamics in periodically driven many-body quantum systems

This work explores a fundamental dynamical structure for a wide range of many-body quantum systems under periodic driving. Generically, in the thermodynamic limit, such systems are known to heat up to infinite temperature states in the long-time limit irrespective of dynamical details, which kills all the specific properties of the system. In the present study, instead of considering infinitely long-time scale, we aim to provide a general framework to understand the long but finite time behavior, namely the transient dynamics. In our analysis, we focus on the Floquet–Magnus (FM) expansion that gives a formal expression of the effective Hamiltonian on the system. Although in general the full series expansion is not convergent in the thermodynamics limit, we give a clear relationship between the FM expansion and the transient dynamics. More precisely, we rigorously show that a truncated version of the FM expansion accurately describes the exact dynamics for a certain time-scale. Our theory reveals an experimental time-scale for which non-trivial dynamical phenomena can be reliably observed. We discuss several dynamical phenomena, such as the effect of small integrability breaking, efficient numerical simulation of periodically driven systems, dynamical localization and thermalization. Especially on thermalization, we discuss a generic scenario on the prethermalization phenomenon in periodically driven systems. -- Highlights: •A general framework to describe transient dynamics for periodically driven systems. •The theory is applicable to generic quantum many-body systems including long-range interacting systems. •Physical meaning of the truncation of the Floquet–Magnus expansion is rigorously established. •New mechanism of the prethermalization is proposed. •Revealing an experimental time-scale for which non-trivial dynamical phenomena can be reliably observed.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2016

Multi-level computational exploration of advanced combustion engine operating strategies

Advanced combustion engine (ACE) research is typically carried out on single-cylinder research engines. These engines are designed to tightly control fueling and conditions at intake valve closure (IVC) and to precisely measure in-cylinder conditions and emissions. However, to be able to measure and control engine operation so precisely, these research engines typically do not feature intake and exhaust tracts that resemble those in production engines, specifically in regards to turbomachinery, heat exchangers, and exhaust gas recirculation (EGR) systems. For this reason, these research engines are effective for understanding in-cylinder combustion parameters such as heat release rate, burn duration, combustion efficiency, pollutant formation, and exhaust valve opening (EVO) conditions. Here, this paper applies high fidelity simulations to determine the feasibility of achieving a chosen single cylinder engine operating point on a production type homogeneous charge compression ignition (HCCI) engine, using a partial fuel stratification (PFS) strategy. To accomplish this, a Converge 3 dimensional (3D) – computational fluid dynamics (CFD) model of the experimental combustion chamber and intake and exhaust runners was created to simulate the experimental engine. This model was used to simulate an operating point achieved experimentally, as well as to determine the sensitivity of the operating point to variations in intake pressure, intake temperature, injection timing, injected mass, and EGR fraction. The results from these simulations were fed into a 1-dimensional engine simulation created in AVL Boost, featuring production-type intake and exhaust systems, including turbomachinery and heat exchangers necessary to create the required IVC conditions. This full engine simulation was used to assess the cycle efficiency of the engine at the experimental operating condition, and to assess whether changes to this operating point in intake temperature, intake pressure, direct injection timing, or fueling are beneficial to the cycle efficiency and engine-out emissions. In addition, the sensitivity of promising engine operating points to injection timing and injection mass are determined to evaluate the potential stability of these operating points.

33 ADVANCED PROPULSION SYSTEMS↗
DOE OSTI2014

Assessment of model assumptions and budget terms of the unsteady flamelet equations for a turbulent reacting jet-in-cross-flow

An a priori analysis of the flamelet model for diffusion flames is conducted to systematically assess model assumptions that are associated with the asymptotic expansion, the omission of higher-order expansion terms, the consideration of preferential diffusion effects, and the one-dimensional flamelet representation. For this, a recent direct numerical simulation database of a reacting hydrogen/air jet-in-cross-flow (JICF) by Grout et al. [15,16] is used. The full flamelet equation for temperature, exact to the order of the Eulerian transport equation and general to different definitions of the mixture fraction, is derived. Analysis of mixture fraction conditioned profiles of temperature and scalar dissipation rate along the jet trajectory identified different ignition and flame stabilization scenarios on the windward and leeward sides of the reacting JICF. A balance analysis of the temperature flamelet equation is conducted to quantify contributions in flame-aligned and flame-orthogonal directions. Consistent with the flamelet assumption, it is shown that terms arising from scalar diffusion, heat-release, and species-diffusion-induced enthalpy flux are the dominant contributions, while the flame-aligned preferential diffusion promotes entrainment of heat into the flamelet structure. Finally, for the current JICF-configuration, it is found that contributions along the flame-orthogonal direction are on average negligible.

42 ENGINEERING↗
DOE OSTI2013

Opening new institutional spaces for grappling with uncertainty: A constructivist perspective

In the context of an increasing reliance on predictive computer simulation models to calculate potential project impacts, it has become common practice in impact assessment (IA) to call on proponents to disclose uncertainties in assumptions and conclusions assembled in support of a development project. Understandably, it is assumed that such disclosures lead to greater scrutiny and better policy decisions. This paper questions this assumption. Drawing on constructivist theories of knowledge and an analysis of the role of narratives in managing uncertainty, I argue that the disclosure of uncertainty can obscure as much as it reveals about the impacts of a development project. It is proposed that the opening up of institutional spaces that can facilitate the negotiation and deliberation of foundational assumptions and parameters that feed into predictive models could engender greater legitimacy and credibility for IA outcomes. - Highlights: Black-Right-Pointing-Pointer A reliance on supposedly objective disclosure is unreliable in the predictive model context in which IA is now embedded. Black-Right-Pointing-Pointer A reliance on disclosure runs the risk of reductionism and leaves unexamined the social-interactive aspects of uncertainty. Black-Right-Pointing-Pointer Opening new institutional spaces could facilitate deliberation on foundational predictive model assumptions.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2023

Long-term carbon intensity reduction potential of K-12 school buildings in the United States

School buildings have a great potential for carbon emission reduction since their annual emission is about 72 million metric tons. Currently, more than 30% of school buildings were built before 1960 and are underperforming. To effectively reduce carbon emissions via school building retrofits, it is critical for policymakers to understand the carbon intensity reduction potential of retrofitting school buildings in different regions. Hence, this study develops a method to comprehensively assess the long-term carbon intensity reduction potential of aggregated commercial buildings on a county-by-county basis in the continental U.S. We apply this method to the K-12 school buildings including primary and secondary school buildings. Here, this paper predicts the carbon intensity reduction potential of K-12 school buildings with eight building retrofit measures from 2022 to 2050 in the continental U.S. The results reveal several interesting findings: (1) In the approximately 3,000 counties of the U.S. from 2022 to 2050, the carbon intensity reduction potential of retrofitting K-12 school buildings in each county ranges from 0.41 kg/m 2 to 40.00 kg/m 2 . (2) Even in the same climate zone, the trends of carbon intensity reduction potential from 2022 to 2050 are different depending on their electricity sources. For example, in a hot and humid climate zone, the carbon intensity reduction potential in Florida will decrease from 2044 to 2048. However, in Mississippi, the carbon intensity reduction potential from 2044 to 2046 will increase due to the termination of the nuclear energy usage. (3) Generally, reducing lighting power density leads to more carbon intensity reduction in most states, but it might not be applicable for states with high clean energy penetration, such as Washington.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗