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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 1,315 records · Page 73
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Coupling solidification kinetics with phase-behavior computations in hydrodynamic simulations of high-pressure, dynamic-compression processes

In this study, we report a numerical scheme to integrate models for the kinetics of solidification processes together with phase-behavior computations in the context of continuum-scale hydrodynamic simulations. The objective of the phase-behavior computations is to determine the pressure and temperature, given the following three sets of inputs: (1) an appropriate equation of state to describe our system, (2) the phase fraction(s) produced by the kinetic models, (3) and the volume and internal energy obtained by solving the conservation equations that govern the hydrodynamic behavior. The kinetics are assumed to be governed by the Kolmogorov–Johnson–Mehl–Avrami equation, and the nucleation and growth rates that enter into that equation are functions of the pressure and temperature produced by the phase-behavior computations. Our formulation allows for the fluid and solid phases to be at different temperatures (thermal nonequilibrium) and pressures (arising from surface-tension-induced Laplace contributions). The formulation is presented in a fairly general setting that is independent of any particular material, although we demonstrate it in some examples related to high-energy-density science applications where materials are rapidly compressed to pressures exceeding several gigapascals in less than a microsecond. We conclude with a critical evaluation of our approach and provide suggestions for future work to improve the predictive capabilities and generality of the models.

42 ENGINEERING↗
NASA NTRS1992

A numerical model for coupling between atomization and spray dynamics in liquid rocket thrust chambers

This paper describes a novel method of coupling the atomization and spray combustion processes encountered in coaxial injection elements of liquid rocket engine thrust chambers. This method is based on the Jet-Embedding technique in which the liquid jet core equations and the gas phase equations are solved separately. The liquid and gas phase solutions, however, are coupled through the boundary conditions at the interface between the phases. The computational grid for the gas phase calculations are adapted to the shape of the liquid jet core. The axial variation of droplet sizes are calculated using a stability analysis appropriate for the atomization regime of liquid jet breakup. The predictions of this method have been validated with experimental data on low speed water jets. Using this method, calculations are performed for the SSME fuel preburner single injector flow field. The results obtained are in good agreement with the predictions of the volume-of-fluid method.

Giridharan, M. G.↗
NASA NTRSDate not supplied

The Porous Microstructure Analysis (PuMA) software

The open-source Porous Microstructure Analysis (PuMA) software was created to offer an efficient framework for determining material properties from 3D microstructures. Its development was inspired by progress in X-ray microtomography, an imaging technology that captures the internal structure of materials in 3D, and even in a 4D temporal context. Over recent years, this method has transformed the domain of materials science due to its capability to non-destructively examine material microstructures while presenting digital data about their geometrical details. It has provided insights into materials relevant to several NASA missions, including heatshields, parachute fabrics, meteorites, and other advanced composites. PuMA, in its current version 3, delivers an array of features, spanning from basic geometric insights of a microstructure to intricate anisotropic thermo-elastic and chemical behavior. Specifically, the software evaluates morphological attributes (specific surface area, volume fractions, mean intercept lengths, orientation) and physical characteristics (conductivity, elasticity, permeability, and tortuosity). Additionally, it can model material degradation processes, such as oxidation and surface chemistry interactions. The software can generate synthetic microstructures, from straightforward geometrical designs to intricate woven and non-woven geometries. Coupling material generation and characterization enables parametric studies and sensitivity analysis to optimize the microstructural performance and inform design decisions and reliability assessment based on uncertainty quantification. A recent addition to PuMA includes the TomoSAM plugin, devised to incorporate the cutting-edge Segment Anything Model (SAM) into our image segmentation workflow. SAM is a promptable deep learning model that can identify objects and create image masks in a zero-shot manner, based only on a few user clicks. The synergy between these tools aids in the segmentation of complex 3D datasets from tomography and other imaging techniques, which would otherwise require a laborious manual segmentation process.

Tomography↗
DOE OSTI2021

Computational fluid dynamics modeling and analysis of silica nanoparticle synthesis in a flame spray pyrolysis reactor

Flame Spray Pyrolysis (FSP) is a method for large-scale production of nanoparticles and nanoscale powders employed in a wide range of industrial applications. Particle size and morphology are complex functions of the physicochemical phenomena occurring in the FSP reactor. An extensive study of FSP-related phenomena can be utilized to develop effective strategies for achieving desired particle size/morphology and scaling up the overall yield of an FSP system. In this work, a computational fluid dynamics (CFD) model of an FSP reactor is developed to simulate the coupling of key phenomena involved in the particle synthesis process: liquid spray breakup and evaporation, mixing, combustion, and particle formation/growth of silica nanoparticles. Herein, the particle sizes and their distributions from the CFD simulations are validated against experimental data. Subsequently, the simulations are utilized to investigate the impact of process parameters on the resultant flame dynamics and particle growth. Firstly, the CFD results show that the particle sizes are strongly correlated with the precursor concentration in the solvent. At lower precursor concentrations, the spread of the distribution is relatively insensitive to the value of the concentration. At higher concentrations, the spread is higher as the collision probability between particles is higher. Secondly, increasing the pilot flow rate increases the length of the pilot flames impacting the local ignition location of the spray flame. Lastly, it is shown that the dispersion gas flow rate strongly influences the spray flame shape. This shape can be used for control of particle growth as it helps determine the regions of high temperature and the residence time of the particles in the high temperature region enabling the design and process optimization of the FSP reactor.

42 ENGINEERING↗
DOE OSTI2023

Measurement of electroweak $Z\left(\nu \overline{\nu}\right)\gamma jj$ production and limits on anomalous quartic gauge couplings in pp collisions at $\sqrt{s}$ = 13 TeV with the ATLAS detector

The electroweak production of $Z\left(\nu \overline{\nu}\right)\gamma jj$ in association with two jets is studied in a regime with a photon of high transverse momentum above 150 GeV using proton–proton collisions at a centre-of-mass energy of 13 TeV at the Large Hadron Collider. The analysis uses a data sample with an integrated luminosity of 139 fb –1 collected by the ATLAS detector during the 2015–2018 LHC data-taking period. This process is an important probe of the electroweak symmetry breaking mechanism in the Standard Model and is sensitive to quartic gauge boson couplings via vector-boson scattering. The fiducial $Z\left(\nu \overline{\nu}\right)\gamma jj$ cross section for electroweak production is measured to be ${0.77}_{-0.30}^{+0.34}$ fb and is consistent with the Standard Model prediction. Evidence of electroweak $Z\left(\nu \overline{\nu}\right)\gamma jj$ production is found with an observed significance of 3.2σ for the background-only hypothesis, compared with an expected significance of 3.7σ. The combination of this result with the previously published ATLAS observation of electroweak $Z\left(\nu \overline{\nu}\right)\gamma jj$ production yields an observed (expected) signal significance of 6.3σ (6.6σ). Limits on anomalous quartic gauge boson couplings are obtained in the framework of effective field theory with dimension-8 operators.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2012

Upper bounds on asymmetric dark matter self annihilation cross sections

Most models for asymmetric dark matter allow for dark matter self annihilation processes, which can wash out the asymmetry at temperatures near and below the dark matter mass. We study the coupled set of Boltzmann equations for the symmetric and antisymmetric dark matter number densities, and derive conditions applicable to a large class of models for the absence of a significant wash-out of an asymmetry. These constraints are applied to various existing scenarios. In the case of left- or right-handed sneutrinos, very large electroweak gaugino masses, or very small mixing angles are required.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2020

An ab initio exciton model for singlet fission

Here we present an ab initio exciton model that extends the Frenkel exciton model and includes valence, charge-transfer, and multiexcitonic excited states. It serves as a general, parameter-free, yet computationally efficient and scalable approach for simulation of singlet fission processes in multichromophoric systems. A comparison with multiconfigurational methods confirms that our exciton model predicts consistent energies and couplings for the pentacene dimer and captures the correct physics. Calculations of larger pentacene clusters demonstrate the computational scalability of the exciton model and suggest that the mixing between local and charge-transfer excitations narrows the gap between singlet and multiexcitonic states. Local vibrations of pentacene molecules are found to facilitate singlet–multiexcitonic state-crossing and hence are important for understanding singlet fission. The exciton model developed in this work also sets the stage for further implementation of the nuclear gradients and nonadiabatic couplings needed for first principles nonadiabatic quantum molecular dynamics simulations of singlet fission.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2017

Updated collider and direct detection constraints on Dark Matter models for the Galactic Center gamma-ray excess

Utilizing an exhaustive set of simplified models, we revisit dark matter scenarios potentially capable of generating the observed Galactic Center gamma-ray excess, updating constraints from the LUX and PandaX-II experiments, as well as from the LHC and other colliders. We identify a variety of pseudoscalar mediated models that remain consistent with all constraints. In contrast, dark matter candidates which annihilate through a spin-1 mediator are ruled out by direct detection constraints unless the mass of the mediator is near an annihilation resonance, or the mediator has a purely vector coupling to the dark matter and a purely axial coupling to Standard Model fermions. Furthermore, all scenarios in which the dark matter annihilates through t-channel processes are now ruled out by a combination of the constraints from LUX/PandaX-II and the LHC.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2024

Astrophysical constraints from synchrotron emission on very massive decaying dark matter

If the cosmological dark matter (DM) couples to Standard Model (SM) fields, it can decay promptly to SM states in a highly energetic hard process, which subsequently showers and hadronizes to give stable particles including e ± , γ , p ± , and ν ν ¯ at lower energy. If the DM particle is very heavy, the high-energy e ± , due to the Klein-Nishina cross section suppression, preferentially lose energy via synchrotron emission which, in turn, can be of unusually high energies. Here, we present previously unexplored bounds on heavy decaying DM up to the Planck scale, by studying the synchrotron emission from the e ± produced in the ambient Galactic magnetic field. In particular, we explore the sensitivity of the resulting constraints on the DM decay width to (i) different SM decay channels, to (ii) the Galactic magnetic field configurations, and to (iii) various different DM density profiles proposed in the literature. We find that constraints from the synchrotron component complement and improve on constraints from very high-energy cosmic-ray and gamma-ray observatories targeting the prompt emission when the DM is sufficiently massive, most significantly for masses in excess of 10 12 GeV . Published by the American Physical Society 2024

Astronomy & Astrophysics↗
DOE OSTI2014

Search for jet extinction in the inclusive jet-pt spectrum from proton-proton collisions at sqrt(s) = 8 TeV

The first search at the LHC for the extinction of QCD jet production is presented, using data collected with the CMS detector corresponding to an integrated luminosity of 10.7 inverse femtobarns of proton-proton collisions at a center-of-mass energy of 8 TeV. The extinction model studied in this analysis is motivated by the search for signatures of strong gravity at the TeV scale (terascale gravity) and assumes the existence of string couplings in the strong-coupling limit. In this limit, the string model predicts the suppression of all high-transverse-momentum standard model processes, including jet production, beyond a certain energy scale. To test this prediction, the measured transverse-momentum spectrum is compared to the theoretical prediction of the standard model. No significant deficit of events is found at high transverse momentum. A 95% confidence level lower limit of 3.3 TeV is set on the extinction mass scale.

Khachatryan, Vardan↗
DOE OSTI2025

PCMDI Metrics Package

The Program for Climate Model Diagnosis & Intercomparison (PCMDI) Metrics Package (PMP) is used to provide "quick-look" objective comparisons of Earth System Models (ESMs) with one another and available observations. The PMP provides a diverse suite of analysis utilities each of which produce summary statistics that gauge the consistency between climate model simulations and available observations. The primary application of the PMP is to evaluate simulations from the Coupled Model Intercomparison Project (CMIP). It can also be used to provide objective performance summaries during the model development process as well as selected research purposes.

Ullrich, PaulA [Lawrence Livermore National Labora↗
DOE OSTI2014

Topography-based Flood Planning and Optimization Capability Development Report

Globally, water-related disasters are among the most frequent and costly natural hazards. Flooding inflicts catastrophic damage on critical infrastructure and population, resulting in substantial economic and social costs. NISAC is developing LeveeSim, a suite of nonlinear and network optimization models, to predict optimal barrier placement to protect critical regions and infrastructure during flood events. LeveeSim currently includes a high-performance flood model to simulate overland flow, as well as a network optimization model to predict optimal barrier placement during a flood event. The LeveeSim suite models the effects of flooding in predefined regions. By manipulating a domain’s underlying topography, developers altered flood propagation to reduce detrimental effects in areas of interest. This numerical altering of a domain’s topography is analogous to building levees, placing sandbags, etc. To induce optimal changes in topography, NISAC used a novel application of an optimization algorithm to minimize flooding effects in regions of interest. To develop LeveeSim, NISAC constructed and coupled hydrodynamic and optimization algorithms. NISAC first implemented its existing flood modeling software to use massively parallel graphics processing units (GPUs), which allowed for the simulation of larger domains and longer timescales. NISAC then implemented a network optimization model to predict optimal barrier placement based on output from flood simulations. As proof of concept, NISAC developed five simple test scenarios, and optimized topographic solutions were compared with intuitive solutions. Finally, as an early validation example, barrier placement was optimized to protect an arbitrary region in a simulation of the historic Taum Sauk dam breach.

42 ENGINEERING↗
DOE OSTI2022

Tunable plasmon-enhanced second-order optical nonlinearity in transition-metal dichalcogenide nanotriangles (Final Report for SC0008712)

The control of light-matter interaction at the nanoscale is a grand challenge that cuts across modern photonics, plasmonics, and optoelectronics. The development of simulation tools for predictive modeling of nanostructured light emitters and absorbers is critical to successfully tackling this grand challenge. Existing state-of-the-art tools are not suitable for the following reasons: a) Phenomenological models of materials, commonly employed in the full-wave solutions to Maxwell’s equations, are fit to experimental data for bulk materials and fall short when attempting to analyze nanostructures. b) Nonlinearities in optical response can arise solely from nanostructuring, and require time-dependent quantum electronic transport techniques to capture. c) Emergent materials with exotic and tunable physical properties are increasingly used, but their properties are very sensitive to the substrate, impurities, and edge termination, and require an accurate description of interband and intraband processes, as well as dissipation. d) Microscopic modeling of electronic transport usually employs simplified electrodynamics, and realistic models that couple full electronic transport with full-wave electrodynamics are needed for accurate photonics simulations. The objective of this project was to computational tools that will overcome the limitations faced by current modeling tools and provide an unprecedented level of accuracy for predictive modeling of light-matter interaction at the nanoscale.

36 MATERIALS SCIENCE↗
DOE OSTI2017

Practice and philosophy of climate model tuning across six US modeling centers

Model calibration (or tuning ) is a necessary part of developing and testing coupled ocean–atmosphere climate models regardless of their main scientific purpose. There is an increasing recognition that this process needs to become more transparent for both users of climate model output and other developers. Knowing how and why climate models are tuned and which targets are used is essential to avoiding possible misattributions of skillful predictions to data accommodation and vice versa. This paper describes the approach and practice of model tuning for the six major US climate modeling centers. While details differ among groups in terms of scientific missions, tuning targets, and tunable parameters, there is a core commonality of approaches. Furthermore, practices differ significantly on some key aspects, in particular, in the use of initialized forecast analyses as a tool, the explicit use of the historical transient record, and the use of the present-day radiative imbalance vs. the implied balance in the preindustrial era as a target.

58 GEOSCIENCES↗
NASA NTRS1988

A constitutive material model for nonlinear finite element structural analysis using an iterative matrix approach

A unified numerical method for the integration of stiff time dependent constitutive equations is presented. The solution process is directly applied to a constitutive model proposed by Bodner. The theory confronts time dependent inelastic behavior coupled with both isotropic hardening and directional hardening behaviors. Predicted stress-strain responses from this model are compared to experimental data from cyclic tests on uniaxial specimens. An algorithm is developed for the efficient integration of the Bodner flow equation. A comparison is made with the Euler integration method. An analysis of computational time is presented for the three algorithms.

Koenig, Herbert A.↗
NASA NTRS1989

A multi-temperature TVD algorithm for relaxing hypersonic flows

In this paper, the extension of a multispecies TVD algorithm, second-order accurate for real-gas flows to a multitemperature formulation is described. The convection algorithm is coupled to internal relaxation processes, and the features of the coupling are examined. The first version consists of a three-temperature model, where translational-rotational, vibrational, and electronic energy modes are separately convected. Although several species are present, there is only one vibrational temperature in this model. The second version generalizes to a vibrational temperature for each molecular specie, with additional couplings between species. The algorithms are applied to a generic two-dimensional flow field, and results are compared with experimental observations.

Cambier, Jean-Luc↗
NASA NTRS1991

On the dynamics and composition of the high-latitude thermosphere

An overview is presented of some of the more recent progress made in the study of the dynamics and composition of the high-latitude thermosphere at the University of Michigan, with emphasis on the interpretation of experimental measurements made from the DE-2 spacecraft and from ground-based observatories in Greenland. Attention is focused on perturbations to the solar-driven upper thermospheric winds, temperatures, and compositional structures due to forcing associated with high-latitude ionosphere-thermosphere coupling processes. The nature of the experimental measurements made on DE-2 is discussed. The vector spherical harmonic model, some sample results, and experiment-model comparisons are described using both satellite and ground-based measurements of high-latitude thermosphere dynamics. Considerations pertaining to compositional perturbations at high latitudes are presented.

Killeen, T. L.↗
NASA NTRS1992

Bar-spheroid interaction in galaxies

N-body simulation and linear analysis is employed to investigate the secular evolution of barred galaxies, with emphasis on the interaction between bars and spheroidal components of galaxies. This interaction is argued to drive secular transfer of angular momentum from bars to spheroids, primarily through resonant coupling. A moderately strong bar, having mass within corotation about 0.3 times the enclosed spheroid mass, is predicted to shed all its angular momentum typically in less than about 10 exp 9 yr. Even shorter depletion time scales are found for relatively more massive bars. It is suggested either that spheroids around barred galaxies are structured so as to inhibit strong coupling with bars, or that bars can form by unknown processes long after disks are established. The present models reinforce the notion that bars can drive secular evolution in galaxies.

Hernquist, Lars↗