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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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All sourcesNASA NTRSDOE OSTI
DOE OSTI2016

Investigating the Effects of Anisotropic Mass Transport on Dendrite Growth in High Energy Density Lithium Batteries

Dendrite formation on the electrode surface of high energy density lithium (Li) batteries causes safety problems and limits their applications. Suppressing dendrite growth could significantly improve Li battery performance. Dendrite growth and morphology is a function of the mixing in the electrolyte near the anode interface. Most research into dendrites in batteries focuses on dendrite formation in isotropic electrolytes (i.e., electrolytes with isotropic diffusion coefficient). In this work, an anisotropic diffusion reaction model is developed to study the anisotropic mixing effect on dendrite growth in Li batteries. The model uses a Lagrangian particle-based method to model dendrite growth in an anisotropic electrolyte solution. The model is verified by comparing the numerical simulation results with analytical solutions, and its accuracy is shown to be better than previous particle-based anisotropic diffusion models. Several parametric studies of dendrite growth in an anisotropic electrolyte are performed and the results demonstrate the effects of anisotropic transport on dendrite growth and morphology, and show the possible advantages of anisotropic electrolytes for dendrite suppression.

SPH, high energy density lithium batteries, precip↗
DOE OSTI2020

Sensitivity Analysis and Effective Parametrization of PEM Fuel Cell Models

The cost of proton-exchange-membrane fuel cells (PEMFCs) remains a major hurdle in large-scale commercialization of this technology. To improve their performance and reduce cost, novel materials and electrode designs are continuously envisioned, e.g., non-PGM catalyst layers, ultra-thin Pt/Pt-Ni based catalyst layers, structured ionomer arrays or NSTF catalyst layers.1 Understanding the impact of these improvement strategies can be extremely time and cost intensive due to complex physical phenomena and large design space. We have previously developed a PEMFC modeling framework2 which has been a time and cost effective tool for understanding and optimizing the complex multi-physics phenomena within PEMFCs; however, several of the cell parameters used in the modeling have large spread in measured data.3 Furthermore, several transport parameters such as water adsorption kinetics have not been accurately measured and the approximations are spread over several orders of magnitude. These uncertainties cause problems in ascertaining accuracy of the modeling approach and they reduce the predictive power of the numerical models. The aim of this work is to identify the sensitivity of PEFC numerical model outputs to various input parameters. The previously in-house developed MEA modeling framework2 is used for PEMFC modeling. The sensitivity of the model outputs with respect to inputs parameters is obtained by analyzing the condition numbers for different output-input pairs at varying operating conditions. An example of the sensitivity analysis is shown in Figure 1. The condition numbers are obtained for the entire possible range of input parameters at varying operating conditions to identify the most crucial parameters of the PEMFC model. Based on our preliminary analysis, parameters related to kinetics (exchange current density and ECSA) and heat/water management in electrodes and ionomer (ionomer fraction, thermal conductivity) are most crucial. One of the major goals of this work is to identify the most crucial set of parameters towards which the model shows maximum sensitivity. This will guide future experimentalists to measure these properties with higher accuracy. Furthermore, the sensitivity analysis will also enable us to optimize the PEMFC performance by selectively targeting the most sensitive parameters and thereby making the largest impact. Acknowledgements The work is funded under the Fuel Cell Performance and Durability Consortium (FC-PAD), by the Fuel Cell Technologies Office (FCTO), Office of Energy Efficiency and Renewable Energy (EERE), of the U.S. Department of Energy under contract number DE-AC02-05CH11231. The authors would like to thank Nathan Craig at Robert Bosch LLC for his valuable input in designing the sensitivity analysis. The authors would also like to thank Giovanna Bucci and Matthias Hanauer at Robert Bosch for their valuable inputs and discussion. References P. K. Sinha, W. Gu, A. Kongkanand and E. Thompson, J. Electrochem. Soc., 158, B831 (2011). L. M. Pant, M. R. Gerhardt, N. Macauley, R. Mukundan, R. L. Borup and A. Z. Weber, Electrochim. Acta, 326, 134963 (2019). R. Vetter and J. O. Schumacher, ArXiv181110091 Phys. (2018). Figure 1

Pant, Lalit↗
DOE OSTI2016

A meta-analysis of the association between gender and protective behaviors in response to respiratory epidemics

Respiratory infectious disease epidemics and pandemics are recurring events that levy a high cost on individuals and society. The health-protective behavioral response of the public plays an important role in limiting respiratory infectious disease spread. Health-protective behaviors take several forms. Behaviors can be categorized as pharmaceutical (e.g., vaccination uptake, antiviral use) or non-pharmaceutical (e.g., hand washing, face mask use, avoidance of public transport). Due to the limitations of pharmaceutical interventions during respiratory epidemics and pandemics, public health campaigns aimed at limiting disease spread often emphasize both non-pharmaceutical and pharmaceutical behavioral interventions. Understanding the determinants of the public’s behavioral response is crucial for devising public health campaigns, providing information to parametrize mathematical models, and ultimately limiting disease spread. While other reviews have qualitatively analyzed the body of work on demographic determinants of health-protective behavior, this meta-analysis quantitatively combines the results from 85 publications to determine the global relationship between gender and health-protective behavioral response. The results show that women in the general population are about 50% more likely than men to adopt/practice non-pharmaceutical behaviors. Conversely, men in the general population are marginally (about 12%) more likely than women to adopt/practice pharmaceutical behaviors. It is possible that factors other than pharmaceutical/non-pharmaceutical status not included in this analysis act as moderators of this relationship. We find these results suggest an inherent difference in how men and women respond to epidemic and pandemic respiratory infectious diseases. In conclusion, this information can be used to target specific groups when developing non-pharmaceutical public health campaigns and to parameterize epidemic models incorporating demographic information.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2026

Search for New Physics via EFT in collisions containing a top quark and a boosted Z or Higgs boson

We present a generator-level sensitivity study of physics beyond the Standard Model within the framework of Effective Field Theory (EFT). The targeted signal processes are single top quark production in association with a Lorentz-boosted Higgs or Z boson (tHq and tZq) in proton-proton collisions at a center-of-mass energy of 13.6 TeV. Event selection requires one electron or muon, a high-transverse-momentum, large-radius (AK8) jet reconstructing hadronic H → b̄b or Z → b̄b decays, at least two distinct, non-overlapping small-radius (AK4) jets with one originating from a b quark, and a missing transverse energy greater than 30 GeV. Signal and background samples are generated via Monte Carlo simulation using MadGraph with MadJax to perform EFT matrix-element calculations. Deviations from the Standard Model are parametrized through dimension-six EFT operators that probe modified top quark interactions. This generator-level study identifies kinematic observables with enhanced sensitivity to EFT operators and motivates future reconstruction-level analyses of tHq and tZq channels.

Meshramkar, Daniel [Baylor U., Waco]↗
DOE OSTI2026

Search for New Physics via EFT in collisions containing a top quark and a boosted Z or Higgs boson

We present a generator-level sensitivity study of physics beyond the Standard Model within the framework of Effective Field Theory (EFT). The targeted signal processes are single top quark production in association with a Lorentz-boosted Higgs or Z boson (tHq and tZq) in proton-proton collisions at a center-of-mass energy of 13.6 TeV. Event selection requires one electron or muon, a high-transverse-momentum, large-radius (AK8) jet reconstructing hadronic H → b̄b or Z → b̄b decays, at least two distinct, non-overlapping small-radius (AK4) jets with one originating from a b quark, and a missing transverse energy greater than 30 GeV. Signal and background samples are generated via Monte Carlo simulation using MadGraph with MadJax to perform EFT matrix-element calculations. Deviations from the Standard Model are parametrized through dimension-six EFT operators that probe modified top quark interactions. This generator-level study identifies kinematic observables with enhanced sensitivity to EFT operators and motivates future reconstruction-level analyses of tHq and tZq channels.

Meshramkar, Daniel [Baylor U., Waco]↗
DOE OSTI2015

Parametric Sensitivity Comparison of Simulation Models for Flyer Plate Impact Experiments

This paper compares the sensitivities of different modeling approaches for fundamental flyer plate impact experiments to variations of several input parameters. Two modeling approaches are used to model a copper flyer plate experiment: the CTH hydrodynamic code and the LS-DYNA code using the smoothed particle hydrodynamic (SPH) approach. Simulations using these two methods are compared to experimental data from a gas gun experiment in which a copper flyer plate impacted a copper target plate. The experiment was designed to cause spall in the target. Numerical simulations are conducted using typical input physics models including the Mie-Grüneisen equation of state, the Johnson-Cook compressive strength model, and a pressure cutoff (Pmin) model for tensile damage (spall). Effects of artificial viscosity, spall strength, and computational cell size are studied and discussed with the objective of improving the accuracy of these simulations.

CTH, smoothed particle hydrodynamics, SPH, Johnson↗
DOE OSTI2018

CNC Module for Turning: A New CAM Application

The integrated CAM application for the KOMPAS-3D environment known as CNC Module for Turning is considered. This application permits automated development of control programs for numerically controlled lathes. The user may readily adapt the CAM application for specific production conditions and machine tools, thanks to features such as the following: representation of the cutting tools by means of parametric 3D models, the possibility of including fixed CNC cycles in the control programs, and the use of the Python language for programming of the postprocessors.

42 ENGINEERING↗
DOE OSTI2019

Determining the Tolerances in Fitting for Joints with Interference

A formula for the theoretical tolerance in fitting is derived by analysis of the components in the model of parametric failure for joints with interference. The formula takes account of the life of the joint and the specified probability of fault-free operation. It is found that selection of the fit without a margin of precision does not ensure the necessary reliability of the joint, while correct selection of the margin of precision extends the fault-free operation of the joint.

42 ENGINEERING↗
DOE OSTI2019

The ν -process with Fully Time-dependent Supernova Neutrino Emission Spectra

The neutrino process that occurs in the outer stellar shells during a supernova explosion and involves neutrino–nucleus reactions produces a range of rare, stable, and radioactive isotopes. We improve previous ν-process studies by using, for the first time, the time-dependent neutrino emission spectra, as predicted from supernova simulations, rather than a simplified parametric description modeled after the neutron star cooling phase. In particular, our calculations use time-dependent neutrino spectra for all neutrino species, consider their deviation from a Fermi–Dirac distribution, and account for the neutrino emission from the neutrino burst and accretion phases. We find that the time-dependent treatment of the neutrino emission spectra results in higher yields for the selected nuclei produced by the ν process as compared to previous studies and to the approximation of assuming constant neutrino energies corresponding to the time-averaged mean energy radiated in each species. The effect is largest for nuclides produced by charged-current reactions. Our results reflect the dynamical competition between neutrino-induced reactions and the effect of the shock passage through the star. By varying the neutrino burst luminosity and the duration of the accretion phase, we study the impact of these early emission phases and their uncertainties on the ν-process nucleosynthesis. We find that the deviation of the neutrino spectra from a Fermi–Dirac distribution calculated in supernova simulations has a negligible effect on the ν-process yields.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2016

THE CONTRIBUTION OF CORONAL JETS TO THE SOLAR WIND

Transient collimated plasma eruptions in the solar corona, commonly known as coronal (or X-ray) jets, are among the most interesting manifestations of solar activity. It has been suggested that these events contribute to the mass and energy content of the corona and solar wind, but the extent of these contributions remains uncertain. We have recently modeled the formation and evolution of coronal jets using a three-dimensional (3D) magnetohydrodynamic (MHD) code with thermodynamics in a large spherical domain that includes the solar wind. Our model is coupled to 3D MHD flux-emergence simulations, i.e., we use boundary conditions provided by such simulations to drive a time-dependent coronal evolution. The model includes parametric coronal heating, radiative losses, and thermal conduction, which enables us to simulate the dynamics and plasma properties of coronal jets in a more realistic manner than done so far. Here, we employ these simulations to calculate the amount of mass and energy transported by coronal jets into the outer corona and inner heliosphere. Based on observed jet-occurrence rates, we then estimate the total contribution of coronal jets to the mass and energy content of the solar wind to (0.4–3.0)% and (0.3–1.0)%, respectively. Our results are largely consistent with the few previous rough estimates obtained from observations, supporting the conjecture that coronal jets provide only a small amount of mass and energy to the solar wind. We emphasize, however, that more advanced observations and simulations (including parametric studies) are needed to substantiate this conjecture.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2024

Dataset for "Large Language Models as molecular design engines"

This dataset contains data and results associated with the paper "Large Language Models as molecular design engines" The paper investigates the use of large language models, specifically Claude 3 Opus, for generating and analyzing chemical structures based on various prompts from A-H (as mentioned in the manuscript), and guided design related to electron-withdrawing groups (EWG), electron-donating groups (EDG).

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1973

Nonequilibrium flow calculations for the hydrogen constricted arc

A nonequilibrium flow model has been formulated and solved numerically for conditions in an atomic hydrogen cascade arc. Solutions show that although thermal nonequilibrium effects are minor, the departure from chemical equilibrium is significant. Comparisons with results obtained from an equilibrium flow model reveal the deficiencies associated with such a model and parametric calculations reveal the effect of current, pressure, and radius on arc behavior.

Scott, R. K.↗
NASA NTRS1975

NASTRAN as a resource in code development

A case history is presented in which the NASTRAN system provided both guidelines and working software for use in the development of a discrete element program, PATCHES-111. To avoid duplication and to take advantage of the wide spread user familiarity with NASTRAN, the PATCHES-111 system uses NASTRAN bulk data syntax, NASTRAN matrix utilities, and the NASTRAN linkage editor. Problems in developing the program are discussed along with details on the architecture of the PATCHES-111 parametric cubic modeling system. The system includes model construction procedures, checkpoint/restart strategies, and other features.

Stanton, E. L.↗
NASA NTRS1975

Design constraints of the LST fine guidance sensor

The LST Fine Guidance Sensor design is shaped by the rate of occurrence of suitable guide stars, the competition for telescope focal plane space with the Science Instruments, and the sensitivity of candidate image motion sensors. The relationship between these parameters is presented, and sensitivity to faint stars is shown to be of prime importance. An interferometric technique of image motion sensing is shown to have improved sensitivity and, therefore, a reduced focal plane area requirement in comparison with other candidate techniques (image-splitting prism and image dissector tube techniques). Another design requirement is speed in acquiring the guide star in order to maximize the time available for science observations. The design constraints are shown parametrically, and modelling results are presented.

Wissinger, A. B.↗
NASA NTRS1976

Atmospheric flow over two-dimensional bluff surface obstructions

The phenomenon of atmospheric flow over a two-dimensional surface obstruction, such as a building (modeled as a rectangular block, a fence or a forward-facing step), is analyzed by three methods: (1) an inviscid free streamline approach, (2) a turbulent boundary layer approach using an eddy viscosity turbulence model and a horizontal pressure gradient determined by the inviscid model, and (3) an approach using the full Navier-Stokes equations with three turbulence models; i.e., an eddy viscosity model, a turbulence kinetic-energy model and a two-equation model with an additional transport equation for the turbulence length scale. A comparison of the performance of the different turbulence models is given, indicating that only the two-equation model adequately accounts for the convective character of turbulence. Turbulence flow property predictions obtained from the turbulence kinetic-energy model with prescribed length scale are only insignificantly better than those obtained from the eddy viscosity model. A parametric study includes the effects of the variation of the characteristics parameters of the assumed logarithmic approach velocity profile. For the case of the forward-facing step, it is shown that in the downstream flow region an increase of the surface roughness gives rise to higher turbulence levels in the shear layer originating from the step corner.

Bitte, J.↗
NASA NTRS1976

Preliminary simulation of an advanced, hingless rotor XV-15 tilt-rotor aircraft

The feasibility of the tilt-rotor concept was verified through investigation of the performance, stability and handling qualities of the XV-15 tilt rotor. The rotors were replaced by advanced-technology fiberglass/composite hingless rotors of larger diameter, combined with an advanced integrated fly-by-wire control system. A parametric simulation model of the HRXV-15 was developed, model was used to define acceptable preliminary ranges of primary and secondary control schedules as functions of the flight parameters, to evaluate performance, flying qualities and structural loads, and to have a Boeing-Vertol pilot conduct a simulated flight test evaluation of the aircraft.

Mcveigh, M. A.↗