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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 307 records · Page 17
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Revising the dynamic energy budget theory with a new reserve mobilization rule and three example applications to bacterial growth

Dynamic energy budget (DEB) theory has been applied to model a wide range of organisms, including microbes. In the standard DEB model, biomass is partitioned into reserve and structural compartments, where reserve biomass is mobilized in a pseudolinear manner (while the reserve biomass density, defined as the ratio between reserve and structural biomass, decays linearly) to drive maintenance and the growth of structural biomass (and extracellular enzyme production if it is considered). However, the linear dynamics of the reserve biomass density makes the standard DEB model incapable of explaining the slowdown of microbial growth at high reserve density that is caused by macromolecular crowding effect which reduces biochemical reaction rates (a typical situation occurs when microbes are experiencing severe moisture stress) and is inconsistent with the observation that intracellular enzymatic reactions generally follow non-linear kinetics. By partitioning biomass into reserve, kinetic, and structural compartments, we show here that the Equilibrium Chemistry Approximation (ECA) kinetics can be used to represent enzymatically catalyzed reserve biomass mobilization that can then drive the kinetic and structural biomass synthesis. This revised DEB model better represents the tradeoff in ribosome allocation for structural growth and internal enzyme production, is structurally compatible with metabolic models of cell individuals, and includes the standard DEB model and the popular compromise model as special cases for representing population growth. We then applied the revised DEB model to interpret components of bacterial respiration, their dependence on substrate availability, and emergent microbial carbon use efficiency dynamics for an exponentially growing population. We found that the revised DEB model enables a better understanding of bacterial substrates use (carbon in our examples) than that can be derived from a few other models in the literature. In particular, the revised DEB model explains why carbon use efficiency may first increase, then plateau, and finally decrease with growth rate (and substrate uptake rate), as a function of proteomics. Additionally, the revised DEB model explains why the kinetic biomass compartment needs to be divided to reasonably incorporate proteomic control of microbial growth.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2026

Global gyro-kinetic ion temperature gradient and trapped electron mode turbulence modelling in X -point geometry in negative and positive triangularity

Comparative modelling of ion temperature gradient (ITG)/trapped electron mode (TEM) turbulence in negative (NT) and positive (PT) triangularity plasma shapes was done using the nonlinear global full-f gyrokinetic particle code JOREK-GK in the realistic X-point tokamak geometry including the Scrape Off Layer (SOL) for TCV and DIII-D parameters. A comparison of JOREK-GK code with the gyrokinetic codes GS2 and GENE was done using NT/PT triangularity TCV L-modes parameters showing good agreement between codes in linear growth rates and clear beneficial effect of NT as compared to PT. Global non-linear modelling of the ITG/TEM saturated turbulence for realistic DIII-D NT pulses was done and compared with numerically constructed PT equilibrium with the same plasma profiles. Existence of longer correlation length of density fluctuations in PT compared to NT was demonstrated. Stronger and more sheared zonal flows are generated via Reynolds stress in NT compared to PT. These factors are stabilizing for TEM/ITG turbulence in NT and lead to smaller heat fluxes and heat conductivities in NT compared to PT configuration. Weak dependence of plasma confinement on collisionality and plasma rotation was found in modelling of DIII-D NT shots similar to the experiment. The confinement scaling with normalized ion gyro-radius ρ* was estimated both for NT and PT. Bohm-like scaling was obtained in both configurations, however with better confinement for NT compared to PT which could be favourable factor for reactor size machines.

ITG↗
NASA NTRS1972

The turbulent boundary layer on a porous plate: An experimental study of the heat transfer behavior with adverse pressure gradients

An experimental investigation of the heat transfer behavior of the near equilibrium transpired turbulent boundary layer with adverse pressure gradient has been carried out. Stanton numbers were measured by an energy balance on electrically heated plates that form the bottom wall of the wind tunnel. Two adverse pressure gradients were studied. Two types of transpiration boundary conditions were investigated. The concept of an equilibrium thermal boundary layer was introduced. It was found that Stanton number as a function of enthalpy thickness Reynolds number is essentially unaffected by adverse pressure gradient with no transpiration. Shear stress, heat flux, and turbulent Prandtl number profiles were computed from mean temperature and velocity profiles. It was concluded that the turbulent Prandtl number is greater than unity in near the wall and decreases continuously to approximately 0.5 at the free stream.

Blackwell, B. F.↗
NASA NTRS1975

Calculation of three-dimensional compressible laminar and turbulent boundary layers. An implicit finite-difference procedure for solving the three-dimensional compressible laminar, transitional, and turbulent boundary-layer equations

An implicit finite-difference procedure is presented for solving the compressible three-dimensional boundary-layer equations. The method is second-order accurate, unconditionally stable (conditional stability for reverse cross flow), and efficient from the viewpoint of computer storage and processing time. The Reynolds stress terms are modeled by (1) a single-layer mixing length model and (2) a two-layer eddy viscosity model. These models, although simple in concept, accurately predicted the equilibrium turbulent flow for the conditions considered. Numerical results are compared with experimental wall and profile data for a cone at an angle of attack larger than the cone semiapex angle. These comparisons clearly indicate that the numerical procedure and turbulence models accurately predict the experimental data with as few as 21 nodal points in the plane normal to the wall boundary.

Harris, J. E.↗
NASA NTRS1978

Interim results of long-term environmental exposures of advanced composites for aircraft applications

Interim results from a number of ongoing, long-term environmental effects programs for composite materials are reported. The flight service experience is evaluated for 142 composite aircraft components after more than five years and one million successful component flight hours. Ground-based outdoor exposures of composite material coupons after 3 years of exposure at five sites have reached equilibrium levels of moisture pickup which are predictable. Solar ultraviolet-induced material loss is discussed for these same exposures. No significant degradation has been observed in residual strength for either stressed or unstressed specimens, or for exposures to aviation fuels and fluids.

Pride, R. A.↗
NASA NTRS1985

Effects of transverse shearing on cylindrical bending, vibration, and buckling of laminated plates

The displacements for cylindrical bending and stretching of laminated and thick plates are expressed through-the-thickness by a few algebraic terms and a complete set of trigonometric terms. Only a few terms of this series are needed to get sufficiently accurate results for laminated and thick plates. Equations of equilibrium based on a sufficient number of terms of this series for displacements are determined using variational theorems from three-dimensional elasticity. Several examples are worked out. The displacements and stresses are obtained for simply supported isotropic and layered beams with a rectangular cross section and a sinusoidal lateral load distribution. These results are compared to an exact elasticity solution. Results for several approximations are obtained for a simply supported and a clamped beam with a rectangular cross section loaded at the center and results are compared to experimental results. Results are also obtained for isotropic and layered beams with a rectangular cross section for several approximations for the lowest natural frequency and buckling load.

Stein, M.↗
DOE OSTI2020

Thermomechanical response of thickly tamped targets and diamond anvil cells under pulsed hard x-ray irradiation

In the laboratory study of extreme conditions of temperature and density, the exposure of matter to high intensity radiation sources has been of central importance. Here, we interrogate the performance of multi-layered targets in experiments involving high intensity, hard x-ray irradiation, motivated by the advent of extremely high brightness hard x-ray sources, such as free electron lasers and 4th-generation synchrotron facilities. Intense hard x-ray beams can deliver significant energy in targets having thick x-ray transparent layers (tampers) around samples of interest for the study of novel states of matter and materials’ dynamics. Heated-state lifetimes in such targets can approach the microsecond level, regardless of radiation pulse duration, enabling the exploration of conditions of local thermal and thermodynamic equilibrium at extreme temperature in solid density matter. The thermal and mechanical responses of such thick layered targets following x-ray heating, including hydrodynamic relaxation and heat flow on picosecond to millisecond timescales, are modeled using radiation hydrocode simulation, finite element analysis, and thermodynamic calculations. Assessing the potential for target survival over one or more exposures and resistance to damage arising from heating and resulting mechanical stresses, this study doubles as an investigation into the performance of diamond anvil high pressure cells under high x-ray fluences. Long used in conjunction with synchrotron x-ray radiation and high power optical lasers, the strong confinement afforded by such cells suggests novel applications at emerging high intensity x-ray facilities and new routes to studying thermodynamic equilibrium states of warm, very dense matter.

Meza-Galvez, J. (ORCID:000000032699849X)↗
DOE OSTI2020

Low Mach number fluctuating hydrodynamics model for ionic liquids

We present a new mesoscale model for ionic liquids based on a low Mach number fluctuating hydrodynamics formulation for multicomponent charged species. The low Mach number approach eliminates sound waves from the fully compressible equations leading to a computationally efficient incompressible formulation. The model uses a Gibbs free energy functional that includes enthalpy of mixing, interfacial energy, and electrostatic contributions. These lead to a new fourth-order term in the mass equations and a reversible stress in the momentum equations. We calibrate our model using parameters for [DMPI+][F6P-], an extensively-studied room temperature ionic liquid (RTIL), and numerically demonstrate the formation of mesoscopic structuring at equilibrium in two and three dimensions. In simulations with electrode boundaries the measured double layer capacitance decreases with voltage, in agreement with theoretical predictions and experimental measurements for RTILs. Finally, we present a shear electroosmosis example to demonstrate that the methodology can be used to model electrokinetic flows.

42 ENGINEERING↗
DOE OSTI2022

Calibrating the SPECTACULAR constitutive model using legacy Sandia data for two filled epoxy systems: 828/CTBN/DEA/GMB and 828/DEA/GMB

The SPECTACULAR model is a development extension of the Simplified Potential Energy Clock (SPEC) model. Both models are nonlinear viscoelastic constitutive models used to predict a wide range of time-dependent behaviors in epoxies and other glass-forming materials. This report documents the procedures used to generate SPECTACULAR calibrations for two particulate-filled epoxy systems, 828/CTBN/DEA/GMB and 828/DEA/GMB. No previous SPECTACULAR or SPEC calibration exists for 828/CTBN/DEA/GMB, while a legacy SPEC calibration exists for 828/DEA/GMB. To generate the SPECTACULAR calibrations, a step-by-step procedure was executed to determine parameters in groups with minimal coupling between parameter groups. This procedure has often been deployed to calibrate SPEC, therefore the resulting SPECTACULAR calibration is backwards compatible with SPEC (i.e. none of the extensions specific to SPECTACULAR are used). The calibration procedure used legacy Sandia experimental data stored on the Polymer Properties Database website. The experiments used for calibration included shear master curves, isofrequency temperature sweeps under oscillatory shear, the bulk modulus at room temperature, the thermal strain during a temperature sweep, and compression through yield at multiple temperatures below the glass transition temperature. Overall, the calibrated models fit the experimental data remarkably well. However, the glassy shear modulus varies depending on the experiment used to calibrate it. For instance, the shear master curve, isofrequency temperature sweep under oscillatory shear, and the Young's modulus in glassy compression yield values for the glassy shear modulus at the reference temperature that vary by as much as 15 %. Also, for 828/CTBN/DEA/GMB, the temperature dependence of the glassy shear modulus when fit to the Young's modulus at different temperatures is approximately four times larger than when it is determined from the isofrequency temperature sweep under oscillatory shear. For 828/DEA/GMB, the temperature dependence of the shear modulus determined from the isofrequency temperature sweep under oscillatory shear accurately predicts the Young's modulus at different temperatures. When choosing values for the shear modulus, fitting the glassy compression data was prioritized. The new and legacy calibrations for 828/DEA/GMB are similar and appear to have been calibrated from the same data. However, the new calibration improves the fit to the thermal strain data. In addition to the standard calibrations, development calibrations were produced that take advantage of development features of SPECTACULAR , including an updated equilibrium Helmholtz free energy that eliminates undesirable behavior found in previous work. In addition to the previously mentioned experimental data, the development calibrations require data for the heat capacity during a stress-free temperature sweep to calibrate thermal terms.

36 MATERIALS SCIENCE↗
NASA NTRS1982

Development of tough, moisture resistant laminating resins

Tough, moisture resistant laminating resins for employment with graphite fibers were developed. The new laminating resins exhibited cost, handleability and processing characteristics equivalent to 394K (250 F) curing epoxies. The laminating resins were based on bisphenol A dicyanate and monofunctional cyanates with hydrophobic substituents. These resins sorb only small quantities of moisture at equilibrium (0.5% or less) with minimal glass transition temperature depression and represent an improvement over epoxies which sorb around 2% moisture at equilibrium. Toughening was accomplished by the precipitation of small diameter particles of butadiene nitrile rubber throughout the resin matrix. The rubber domains act as microcrack termini and energy dissipation sites, allowing increased stress accommodation prior to catastrophic failure. A unique blend of amine terminated butadiene nitrile elastomer (MW 2,000) and a high nitrile content butadiene nitrile rubber yielded the desired resin morphology.

Brand, R. A.↗
NASA NTRS1992

Finite element nonlinear panel flutter with arbitrary temperatures in supersonic flow

A finite element frequency domain method for predicting nonlinear flutter response of panels with temperature effects is presented. By using the principle of virtual work, the element nonlinear stiffness formulation for a panel under a combined thermal and aerodynamic loads is derived on the bases of von Karman's large deflection plate theory, the first-order piston theory aerodynamics and the quasi-steady thermal stress theory. The system equations of motion can be mathematically separated into two sets of equations and then solved in sequence. The first set of equations yields the panel thermal-aerodynamic equilibrium and the second set of equations of motion leads to the flutter limit-cycle oscillations. Stability and flutter boundaries can also be obtained from the two sets of system equations. Finite element large amplitude limit-cycle flutter results at different uniform temperatures are obtained for a simply supported square panel and are compared with existing Galerkin/time integration and other finite element solutions. Effects of nonuniform temperature distributions, panel length-to-width ratios, and boundary conditions on flutter responses of rectangular and triangular panels are presented.

Xue, David Y.↗
DOE OSTI2025

Generalizable machine learning potentials for quantum-accurate predictions of non-equilibrium behavior in 2D materials

Machine learning interatomic potentials (ML-IAPs) are emerging as transformative tools in materials modeling, promising quantum-level accuracy at a fraction of the computational cost. However, their ability to generalize beyond equilibrium configurations and to reliably capture defect- and temperature-driven behavior remains underexplored. Here, we develop and benchmark two state-of-the-art ML-IAPs, Spectral Neighbor Analysis Potential (SNAP) and Allegro, on a comprehensive dataset for monolayer MoSe₂. Using density functional theory (DFT) as the reference, we evaluate their performance in capturing stress–strain behavior, phase transition energetics, defect evolution, edge stability, and fracture toughness. Allegro, a deep equivariant neural network potential, surpasses both SNAP and the classical Tersoff potential in accuracy, efficiency, and transferability. Importantly, both ML potentials accurately reproduce experimental fracture measurements and ab initio predictions of inversion domain formation—phenomena well beyond their training sets. Our findings establish ML-IAPs as viable replacements for traditional force fields in the study of non-equilibrium mechanical phenomena, enabling large-scale, high-fidelity simulations in 2D materials and beyond. In conclusion, this work provides a broadly applicable framework for data-driven modeling of structural and functional transformations under extreme conditions.

2D materials↗
NASA NTRS1973

A gravity exercise system

An effective method for muscle conditioning during weightlessness flight is derived from isometric exercise. The basic principle of gravity exercise is to periodically displace the human body upon reactionless rollers so that spacial equilibrium can only be maintained by the proper tension and relaxation of the body's muscles. A rotating platform mounted upon two degrees of freedom rollers provides such a condition of gravitational reaction stress throughout each of its 360 deg rotation.

Brandt, W. E.↗
NASA NTRS1989

On hypersonic shock layer and its extension beyond the Navier-Stokes level

An extension of the continuum model beyond the Navier-Stokes (NS) level and related issues on problem formulation are examined for a hypersonic shock layer on the basis of Grad's thirteen-moment equations for a Maxwell gas. The 13-moment system, simplified consistently with a fully viscous version of the thin shock-layer approximation, permits correlation with the corresponding NS-based solution. With the exception of pressure and density, several flow properties including normal stress, shear stress and normal heat flux along a streamline are unaffected by translational nonequilibrium and are therefore predicted correctly by the NS solution to the leading order, even in a domain far from translational equilibrium where molecular-transport processes rank equally with the convection.

Cheng, H. K.↗
NASA NTRS1998

Wind Forcing of the North Sea Pole Tide

The Chandler wobble of the earth's rotation has a period near 14 months and sets up the 0.5 cm amplitude pole tide in the deep oceans, However, the pole tide is anomalously large in the North Sea, where the amplitude increases sharply up to 3 cm along the continental coast. It is shown here that the sea levels are well correlated with winds at the pole tide frequency. The Princeton Ocean Model is used to investigate the response of the North Sea to wind forcing. The barotropic numerical ocean model depicts realistic coastlines and bathymetry at 5 ft x 5 ft resolution, with 97 x 73 grid points. The monthly mean wind fields for the 40-year period (1958-1997) from the National Centers for Atmospheric Prediction (NCEP) reanalysis were used to force the model. The winds were converted to stress with a neutral drag coefficient that varied linearly with windspeed (instead of using the NCEP windstress). A 5-day simulation was made for each month until the resulting flow regime came into equilibrium, and model water levels at various station locations were saved for comparison with tidal-gauge observed sea levels from the Permanent Service for Mean Sea Level (PSMSL). The comparison is made for 10 North Sea stations with high quality tide gauge data. We find: (1) good agreement in annual and semi-annual phases and in the trend of amplitude w.r.t. latitude; (2) more importantly for this study, the model-predicted and observed non-seasonal sea level variations show a very significant temporal correlation as well as spectral coherence. However, a large amplitude difference exists between the two sets -- the overall amplitude variability of the observed is generally a factor of 2-3 larger than the model prediction (this same phenomenon has been reported in ocean circulation studies, although the cause is not yet clear.) Our results indicate that the wind forcing is the main cause of the observed large pole tide in the North Sea.

OConnor, W.↗
NASA NTRS1989

Prediction of separated transonic wing flows with a non-equilibrium algebraic model

A nonequilibrium algebraic turbulence model, which is based on the turbulence closure scheme of Johnson and King (1985), is proposed to predict separated transonic wing flows. The influence of history effects are modeled by solving a partial differential equation for the maximum total Reynolds shear stress, which is then used to scale the eddy viscosity of an algebraic model. The turbulence model is implemented in a three-dimensional, Reynolds-averaged Navier-Stokes code. Comparisons with experimental data are presented which show clearly that the nonequilibrium type of turbulence model is essential for accurate prediction of transonic separated flows.

Abid, Ridha↗
DOE OSTI2025

Dislocation-Grain Boundary Interaction Dataset for FCC Cu

Interactions between dislocations and grain boundaries play a major role in controlling the strength and ductility of structural materials. Experimentally, assessing and probing geometric and stress-based criteria at the local level for dislocation transmission through grain boundaries remains challenging. Therefore, there have been many efforts to systematically generate datasets of dislocation-grain boundary interactions (DGI) via computational models such as molecular dynamics simulations. So far, most DGI datasets have focused only on the subset of nominal minimum-energy grain boundary structures, which limits their applicability, especially to materials processed far from equilibrium. We present a comprehensive database of dislocation-grain boundary interactions for edge, screw, and 60° mixed dislocation with 330 <110> and 257 <112> symmetric tilt grain boundaries (total of 587) in FCC Cu consisting of 73 minimum-energy grain boundary structures and 514 metastable structures. The dataset contains the outcomes for 5234 unique interactions for various dislocation types, grain boundary structures, and applied shear stresses.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Discrete stochastic model of point defect-dislocation interaction for simulating dislocation climb

Dislocation climb is an important high temperature process in metals plasticity, responsible for the phenomena such as creep, swelling, or hardening. Climb is defined by the ability of dislocations to leave their original glide plane by interacting with point defects. As such, dislocation climb is controlled by point defect diffusion/absorption/emission, all of which involve thermal activation. The existing thermodynamically consistent models for climb are generally formulated in a continuum framework, through the definition of effective defect fluxes and climb propensities in response to thermodynamic driving forces. However, the point-wise discrete nature of vacancies (and/or self-interstitials) confers a highly discrete nature to the climb dynamics, which is also strongly affected by elastic forces. The combination of discreteness, thermal activation, and elasticity makes this process too challenging for direct atomistic methods such as molecular dynamics. Here we develop a kinetic Monte Carlo model that captures vacancy generation and transport kinetics acting in conjuction with the evolving elastic fields provided by discrete dislocation dynamics simulations. The two models are coupled via the applied stresses and stress gradients generated by dislocation structures at vacancy locations. Our simulations reveal two surprising results. First that climb is dominated by vacancy emission even when the background vacancy concentration is much higher than the equilibrium one. And, second, that climb velocities might be much faster than otherwise believed when one uses the classical theories of climb. These effects are due to the locality of vacancy-dislocation processes, which are not captured in classical treatments that assume smooth vacancy fluxes and homogeneous concentrations. We apply the method to study elementary climb processes in body-centered cubic iron and furnish climb mobility functions to be used in parametric dislocation dynamics and/or crystal plasticity simulations. Here, we apply the technique to study non-conservative plastic bypass of spherical precipitates by edge dislocations and point out the differences between our discrete approach and existing continuum formulations.

36 MATERIALS SCIENCE↗