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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 739 records · Page 41
All sourcesNASA NTRSDOE OSTI
NASA NTRS2001

X-Ray Spectral Study of a Newly Ginga-Detected DQ Her

The goal of this proposal was to observe with ASCA, YY Dra, a DQ Her objected identified using archival Ginga data, in order to complete a high quality ASCA study of Ginga-detected DQ Her stars. There are relatively few DQ Her objects characterized by X-ray pulsations at the white dwarf spin period and optical pulsations at the orbital period and extremely complex X-ray spectra. The ASCA study included seven DQ Her objects. ASCA is able to resolve separate components of the Fe K emission and to set constraints on temperatures in the accretion column, and the mass of the white dwarf. The 40ksec observation, corresponding to roughly three orbital cycles, allowed the study of continuum changes with spin and orbital phase. The ASCA spectrum can be modelled as a bremsstrahlung with evidence for cold, helium-like and hydrogen-like iron emission, and helium-like argon emission. The lines yield a plasma temperature that is compatible with that from the continuum modelling (10-20 keV). The X-ray light-curve clearly shows sinusoidal variation from the spin pulse and shallow absorption dips at the orbital cycle. The derived parameters match well with the -accretion curtain, model for intermediate polars. The results will be presented together with the seven other DQ Her type sources observed with ASCA.

Vrtilek, S.↗
NASA NTRSDate not supplied

What is Model Based Anything?

MBx is “model based” anything, is an integrated digital approach that uses designated common source(s) of mission data and models as a continuum across MBx capabilities (i.e., MBE, MBIM, MBPM, MBMA) to transform mission(s) and/or system(s) performance from concept through disposal.

Model Based↗
NASA NTRS2024

Impact Response of Thermoplastic Composites – Experiments and Modeling

This study investigates the impact response of thermoplastic composite materials. The material system under consideration is a carbon fiber reinforced low melt semi-crystalline resin TC1225 LMPAEK reinforced with T700G (T700/LMPAEK ). Several High Energy Dynamic Impact (HEDI) tests were performed wherein an aluminum projectile impacted T700/LMPAEK panels at different velocities. In the impact experiment studied herein, the projectile impacted the T700/LMAPEK panel at 73.2 m/s and rebounded. The ensuing damage to the T700/LMPAEK panel was characterized via ultrasonic C-scans, visualizing damage modes including matrix cracking and delaminations. Since the projectile rebounded, the fiber breakage damage mode was not evident. The impact event was modeled using a combined continuum damage mechanics and cohesive zone analysis approach with the commercially available hydrocode LS-DYNA®. The dynamic deformation and damage of the continuum, i.e., the plies in the T700/LMPAEK laminate, was modeled using a Deformation Gradient Decomposition (DGD) material model, i.e., MAT299 available within LS-DYNA. The interlaminar regions were treated as zero-thickness cohesive zones, wherein the dynamic delamination mechanics was modeled using a traction-separation formulation. Mixed-mode delamination growth was captured using the Benzegaggh-Kenane (B-K) traction-separation interpolation law. Strain-rate sensitivity of interlaminar fracture toughness was included using approximations based on published literature. The outcomes of the modeling effort are discussed herein which demonstrate good correlations with test data regarding panel deflection, panel-projectile interactions, damage modes and damage extent.

Impact modeling↗
DOE OSTI2024

Coupled Process/Device Modeling and Point Defect Engineering of Cu(In,Ga)Se 2 Solar Cells

Point defects directly impact solar cell device performance by limiting the carrier lifetime. In this work, density functional theory calculations are first used to determine the formation energy and diffusion energy barriers of dominant defects in Cu(In,Ga)Se 2 . Next, continuum reaction–diffusion models are developed to analyze the redistribution of defects during manufacturing processes. We estimate defect capture cross sections using a first-principles-based approach. Here, these cross sections are combined with our calculated defect profiles and trap energy levels to parameterize a Shockley–Read–Hall recombination model, which we implement into a device simulator to predict carrier lifetimes and device performance. In that way, a predictive technology computer aided design model is built to predict and optimize the performance of Cu(In,Ga)Se 2 solar cells.

14 SOLAR ENERGY↗
NASA NTRS2010

Modification of a Macromechanical Finite-Element Based Model for Impact Analysis of Triaxially-Braided Composites

A macro level finite element-based model has been developed to simulate the mechanical and impact response of triaxially-braided polymer matrix composites. In the analytical model, the triaxial braid architecture is simulated by using four parallel shell elements, each of which is modeled as a laminated composite. For the current analytical approach, each shell element is considered to be a smeared homogeneous material. The commercial transient dynamic finite element code LS-DYNA is used to conduct the simulations, and a continuum damage mechanics model internal to LS-DYNA is used as the material constitutive model. The constitutive model requires stiffness and strength properties of an equivalent unidirectional composite. Simplified micromechanics methods are used to determine the equivalent stiffness properties, and results from coupon level tests on the braided composite are utilized to back out the required strength properties. Simulations of quasi-static coupon tests of several representative braided composites are conducted to demonstrate the correlation of the model. Impact simulations of a represented braided composites are conducted to demonstrate the capability of the model to predict the penetration velocity and damage patterns obtained experimentally.

Goldberg, Robert K.↗
DOE OSTI2022

The Paschen Jump as a Diagnostic of the Diffuse Nebular Continuum Emission in Active Galactic Nuclei*

Photoionization modeling of active galactic nuclei (AGN) predicts that diffuse continuum (DC) emission from the broad-line region makes a substantial contribution to the total continuum emission from ultraviolet through near-infrared wavelengths. Evidence for this DC component is present in the strong Balmer jump feature in AGN spectra, and possibly from reverberation measurements that find longer lags than expected from disk emission alone. However, the Balmer jump region contains numerous blended emission features, making it difficult to isolate the DC emission strength. In contrast, the Paschen jump region near 8200 Å is relatively uncontaminated by other strong emission features. Here, we examine whether the Paschen jump can aid in constraining the DC contribution, using Hubble Space Telescope Space Telescope Imaging Spectrograph spectra of six nearby Seyfert 1 nuclei. The spectra appear smooth across the Paschen edge, and we find no evidence of a Paschen spectral break or jump in total flux. We fit multicomponent spectral models over the range 6800–9700 Å and find that the spectra can still be compatible with a significant DC contribution if the DC Paschen jump is offset by an opposite spectral break resulting from blended high-order Paschen emission lines. The fits imply DC contributions ranging from ~10% to 50% at 8000 Å, but the fitting results are highly dependent on assumptions made about other model components. These degeneracies can potentially be alleviated by carrying out fits over a broader wavelength range, provided that models can accurately represent the disk continuum shape, Fe ii emission, high-order Balmer line emission, and other components.

79 ASTRONOMY AND ASTROPHYSICS↗
NASA NTRS2021

From Pseudostreamer Jets to Coronal Mass Ejections:: Observations of the Breakout Continuum

The magnetic breakout model, in which reconnection in the corona leads to destabilization of a filament channel, explains numerous features of eruptive solar events, from small-scale jets to global-scale coronal mass ejections (CMEs). The underlying multipolar topology, pre-eruption activities, and sequence of magnetic-reconnection onsets (first breakout, then flare) of many observed fast CMEs/eruptive flares are fully consistent with the model. Recently, we have demonstrated that most observed coronal-hole jets in fan/spine topologies also are induced by breakout reconnection at the null point above a filament channel (with or without a filament).For these two types of eruptions occurring in similar topologies, the key question is, why do some events generate jets while others form CMEs? We focused on the initiation of eruptions in large bright points/small active regions that were located in coronal holes and clearly exhibited null-point (fan/spine) topologies: such configurations are referred to as pseudostreamers. We analyzed and compared SDO/AIA,SOHO/LASCO, and RHESSI observations of three events. Our analysis of the events revealed two new observable signatures of breakout reconnection prior to the explosive jet/CME outflows and flare onset: coronal dimming and the opening-up of field lines above the breakout current sheet. Most key properties were similar among the selected erupting structures, thereby eliminating region size, photospheric field strength, magnetic configuration, and pre-eruptive evolution as discriminating factors between jets and CMEs. We consider the factors that contribute to the different types of dynamic behavior, and conclude that the determining factor is the ratio of the magnetic free energy associated with the filament channel compared to the energy associated with the overlying flux inside and outside the pseudostreamer dome. Our results imply that a pseudostreamer eruption must be fast in order to produce an interplanetary CME.

Sun↗
NASA NTRS2023

Digital Engineering Design Center (DEDC): Modelling an ISRU System

The DEDC provides immersive project-based learning on digital engineering toolsets and processes supporting NASA’s digital transformation goals: - Digital Engineering uses authoritative sources of systems' data and models as a continuum across disciplines to support integrated digital approach life cycle activities from concept through disposal. - The digital environment provided includes the state-of-the-art digital engineering suite, Siemens Xcelerator. The pilot project is developing an end-to-end integrated model of an In-Situ Resource Utilization (ISRU) system for commodities production: - ISRU uses local resources to provide mission consumables to enable a sustainable Moon or Mars surface presence. - The final digital twin product will include a methanation reactor, condenser, and electrolyzer subsystem.

Digital Engineering Design Center↗
NASA NTRS2008

A New Concurrent Multiscale Methodology for Coupling Molecular Dynamics and Finite Element Analyses

The coupling of molecular dynamics (MD) simulations with finite element methods (FEM) yields computationally efficient models that link fundamental material processes at the atomistic level with continuum field responses at higher length scales. The theoretical challenge involves developing a seamless connection along an interface between two inherently different simulation frameworks. Various specialized methods have been developed to solve particular classes of problems. Many of these methods link the kinematics of individual MD atoms with FEM nodes at their common interface, necessarily requiring that the finite element mesh be refined to atomic resolution. Some of these coupling approaches also require simulations to be carried out at 0 K and restrict modeling to two-dimensional material domains due to difficulties in simulating full three-dimensional material processes. In the present work, a new approach to MD-FEM coupling is developed based on a restatement of the standard boundary value problem used to define a coupled domain. The method replaces a direct linkage of individual MD atoms and finite element (FE) nodes with a statistical averaging of atomistic displacements in local atomic volumes associated with each FE node in an interface region. The FEM and MD computational systems are effectively independent and communicate only through an iterative update of their boundary conditions. With the use of statistical averages of the atomistic quantities to couple the two computational schemes, the developed approach is referred to as an embedded statistical coupling method (ESCM). ESCM provides an enhanced coupling methodology that is inherently applicable to three-dimensional domains, avoids discretization of the continuum model to atomic scale resolution, and permits finite temperature states to be applied.

Yamakov, Vesselin↗
NASA NTRS2008

An Embedded Statistical Method for Coupling Molecular Dynamics and Finite Element Analyses

The coupling of molecular dynamics (MD) simulations with finite element methods (FEM) yields computationally efficient models that link fundamental material processes at the atomistic level with continuum field responses at higher length scales. The theoretical challenge involves developing a seamless connection along an interface between two inherently different simulation frameworks. Various specialized methods have been developed to solve particular classes of problems. Many of these methods link the kinematics of individual MD atoms with FEM nodes at their common interface, necessarily requiring that the finite element mesh be refined to atomic resolution. Some of these coupling approaches also require simulations to be carried out at 0 K and restrict modeling to two-dimensional material domains due to difficulties in simulating full three-dimensional material processes. In the present work, a new approach to MD-FEM coupling is developed based on a restatement of the standard boundary value problem used to define a coupled domain. The method replaces a direct linkage of individual MD atoms and finite element (FE) nodes with a statistical averaging of atomistic displacements in local atomic volumes associated with each FE node in an interface region. The FEM and MD computational systems are effectively independent and communicate only through an iterative update of their boundary conditions. With the use of statistical averages of the atomistic quantities to couple the two computational schemes, the developed approach is referred to as an embedded statistical coupling method (ESCM). ESCM provides an enhanced coupling methodology that is inherently applicable to three-dimensional domains, avoids discretization of the continuum model to atomic scale resolution, and permits finite temperature states to be applied.

Saether, E.↗
DOE OSTI2025

Cross-Scale Catalyst Modeling Applied to H 2 Storage and Release via Formic Acid

Here, we propose the Systems-to-Atoms (S2A) modeling framework that integrates the kinetics of reaction chemistry and structural configurations across various length scales with the aim of establishing a versatile template for multiscale modeling of reactive flow problems and to predict the operando activity of catalyst materials. The approach encompasses a microkinetic model to analyze surface reactions on individual facets of catalyst nanoparticles coupled with the computation of average surface reaction rates for catalyst nanoparticles of specific size distributions. Macro-homogeneous surface reaction kinetics are derived as a function of catalyst loading and used as input parameters for the continuum-scale reactor model. The cross-scale framework enables the optimization of catalyst utilization through reactor design and operating strategy. To demonstrate the framework, we studied the storage and release of hydrogen from formic acid, a promising liquid organic hydrogen carrier (LOHC), over Pd, Pt, and Cu catalysts. The framework predicts observed trends in formic acid dehydrogenation activity for catalysts with comparable weight loadings and metal particle diameters, demonstrating satisfactory quantitative alignment. Finally, the seamless transmission of parameter uncertainties between scales is also discussed.

08 HYDROGEN↗
DOE OSTI2021

A High Resolution Simulation of a Single Shock-Accelerated Particle

We report particle drag models, which capture macroviscous and pressure effects, have been developed over the years for various flow regimes to enable cost effective simulations of particle-laden flows. The relatively recent derivation by Maxey and Riley has provided an exact equation of motion for spherical particles in a flow field based on the continuum assumption. Many models that have been simplified from these equations have provided reasonable approximations; however, the sensitivity of particle-laden flows to particle drag requires a very accurate model to simulate. To develop such a model, a two-dimensional axisymmetric Navier–Stokes direct numerical simulation of a single particle in a transient, shock-driven flow field was conducted using the hydrocode FLAG. FLAGs capability to run arbitrary Lagrangian-Eulerian hydrodynamics coupled with solid mechanic models makes it an ideal code to capture the physics of the flow field around and in the particle as it is shock-accelerated—a challenging regime to study. The goal of this work is twofold: to provide a validation for FLAGs Navier–Stokes and heat diffusion solutions and to provide a rationale for recent experimental particle drag measurements.

42 ENGINEERING↗
NASA NTRS2007

Modeling Tool Advances Rotorcraft Design

Continuum Dynamics Inc. (CDI), founded in 1979, specializes in advanced engineering services, including fluid dynamic modeling and analysis for aeronautics research. The company has completed a number of SBIR research projects with NASA, including early rotorcraft work done through Langley Research Center, but more recently, out of Ames Research Center. NASA Small Business Innovation Research (SBIR) grants on helicopter wake modeling resulted in the Comprehensive Hierarchical Aeromechanics Rotorcraft Model (CHARM), a tool for studying helicopter and tiltrotor unsteady free wake modeling, including distributed and integrated loads, and performance prediction. Application of the software code in a blade redesign program for Carson Helicopters, of Perkasie, Pennsylvania, increased the payload and cruise speeds of its S-61 helicopter. Follow-on development resulted in a $24 million revenue increase for Sikorsky Aircraft Corporation, of Stratford, Connecticut, as part of the company's rotor design efforts. Now under continuous development for more than 25 years, CHARM models the complete aerodynamics and dynamics of rotorcraft in general flight conditions. CHARM has been used to model a broad spectrum of rotorcraft attributes, including performance, blade loading, blade-vortex interaction noise, air flow fields, and hub loads. The highly accurate software is currently in use by all major rotorcraft manufacturers, NASA, the U.S. Army, and the U.S. Navy.

Source record↗
DOE OSTI2020

A Numerical Simulation of a Single Shock-Accelerated Particle

Particle drag models, which capture macro viscous and pressure effects, have been developed over the years for various flow regimes to enable cost effective simulations of particle-laden flows. The relatively recent derivation by Maxey and Riley has provided an exact equation of motion for spherical particles in a flow field based on the continuum assumption. Many models that have been simplified from these equations have provided reasonable approximations; however, the sensitivity of particle-laden flows to particle drag requires a very accurate model to simulate. To develop such a model, a 2D axisymmetric Navier-Stokes direct numerical simulation of a single particle in a transient, shock-driven flow field was conducted in the hydrocode FLAG. FLAG’s capability to run arbitrary Lagrangian-Eulerian hydrodynamics coupled with solid mechanic models makes it an ideal code to capture the physics of the flow field around and in the particle as it is shock-accelerated – a challenging regime to study. The goal of this work is twofold: to provide a validation for FLAG’s Navier-Stokes and heat diffusion solutions, and to provide a rationale for recent experimental particle drag measurements.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2021

Solidification dynamics in metal additive manufacturing: analysis of model assumptions

Solidification characteristics in the meltpool drive the process-microstructure relationship which helps dictate the material properties of as-built parts in additive manufacturing; therefore, being able to accurately and quickly simulate the size, shape, and solidification characteristics in the melt pool is of great interest to the field. In this study, we investigate various important physical phenomena (dynamic material properties, fluid-flow, radiation and vaporization) which can either be included or neglected in a continuum finite volume model (FVM) and their effect on the solidification conditions. Additionally, since the simplest form of such a model (conduction only) has an analytic solution which is much faster, its viability is also considered. Since the inclusion of some of these physical phenomena will inherently change the net energy input as well as the amount of energy needed to achieve melting of a control volume, each set of included phenomena had an effective absorption efficiency which was calibrated to closely match the dimensions of the melt pool to that of the ground truth data. The ground truth data for this study was defined to be the output of the FVM which included all the physical phenomena (OF). This study then goes on to compare the effects on solidification conditions each of these calibrated models has. It was found that most of the change in solidification conditions comes from the inclusion of latent heat. A posterior correlation factor (PCF) is then introduced to enable an analytic model to predict similar solidification conditions to OF model.

36 MATERIALS SCIENCE↗
DOE OSTI2022

ORNL_AISD_NiNb

This dataset describes the nickel-niobium solid solution binary alloy, where the two constituent elements nickel (Ni) and niobium (Nb) are randomly placed on an underlying crystal lattice. This dataset for nickel-niobium (Ni-Nb) alloys available includes the formation energy and bulk modulus for each crystal structure. Each atomic sample has a disordered phase which is obtained starting from an initial regular crystal structure of type body-centered cubic (BCC), face-centered cubic (FCC), or hexagonal compact packed (HCP). The geometry optimization ensures that all the alloy samples reached the equilibrium with negative formation energy. We perform geometry optimizations using the LAMMPS simulation package [1], a flexible simulation tool for particle-based materials modeling at the atomic, meso, and continuum scales. We utilized the embedded atom model (EAM) potential for Ni and Nb developed in a previous study [2]. The potential could describe behaviors of the liquid and solid phases of Ni-Nb alloy. The structural factors and angular distributions of three atoms are well-matched with X-ray and ab initio-based molecular dynamics data. We prepared the three different crystals with different initial lattice parameters (3.52 Ã… for FCC, 3.32 Ã… for BCC, and 3.5 Ã… for HCP). We performed energy minimization in two steps. Firstly, we minimized the structures with an isotropic unit cell to minimize the side effects from our arbitrary lattice parameters for all other compositions. Then, we applied geometry optimization with a triclinic (non-orthogonal) unit cell to fully minimize the stress components to calculate the elastic constants. In this procedure, we chose 10,000 as the maximum number of allowable steps aimed at obtaining fully relaxed atomic geometries. The dataset consists of three sets of crystal structures. The first set contains 46,086 irregular crystal structures, each of them with 54 atoms, obtained through optimization starting from a regular BCC crystal structure. The second set contains 24,543 irregular crystal structures, each of them with 32 atoms, obtained through optimization starting from a regular FCC crystal structure. The third set contains 39,303 irregular crystal structures, each of them with 48 atoms, obtained through optimization starting from a regular HCP crystal structure. The atomic configurations within each set span the possible compositional range. The three sets have been unified in a global dataset, which is extremely heterogeneous in terms of crystal structures, lattice volumes, and atomic configurations. Organization of files inside the dataset: the dataset contains three subdirectories called • BCC_opt • FCC_opt • HCP_opt based on the type of initial regular structure used to start the geometry optimization. Inside each of these folders, every atomic structure is identified by a string “A_B_Câ€, where A denotes the number of Nb in the system, B denotes index of structure with a given Nb number, and C denotes the total number of structures generated with a given Nb number. For each optimized crystal structure identified by the unique string of characters “A_B_Câ€, three files are provided: • A_B_C_opt.xyz: The optimized geometries in xyz format • A_B_C_opt.cfg: The optimized geometries in cfg format. It includes cell information and atomic energy, and forces calculated from LAMMPS. • A_B_C.elastic: Raw data of 21 elastic constants from LAMMPS output. • A_B_C.bulk: Calculated upper and lower bounds of bulk modulus and averaged one based on Voigt-Reuss-Hill approach from *.elastic. References: [1] A. P. Thompson, H. M. Aktulga, R. Berger, D. S. Bolintineanu, W. M. Brown, P. S. Crozier, P. J. in 't Veld, A. Kohlmeyer, S. G. Moore, T. D. Nguyen, R. Shan, M. J. Stevens, J. Tranchida, C. Trott, and S. J. Plimpton. LAMMPS - a flexible simulation tool for particle-based materials modeling at the atomic, meso, and continuum scales. Comp. Phys. Comm., 271:108171, 2022. [2] Y Zhang, R Ashcraft, MI Mendelev, CZ Wang, and KF Kelton. Experimental and molecular dynamics simulation study of structure of liquid and amorphous ni62nb38 alloy. The Journal of chemical physics, 145(20):204505, 2016.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Near-threshold resonances in C 11 and the B 10 ( p , α ) Be 7 aneutronic reaction

The nucleus 11 C plays an important role in the boron-proton fusion reactor environment as a catalyzer of the 10 B(p,α) 7 Be reaction which, by producing a long-lived isotope of 7 Be, poisons the aneutronic fusion process 11 B(p,2α) 4 He. The low-energy cross section of 10 B(p,α) 7 Be depends on the near-threshold states 7/2$^{+}_{1}$, 5/2$^{+}_{2}$, 5/2$^{+}_{3}$ in 11 C whose properties are primarily known from the indirect measurements. Here we investigate the continuum-coupling induced collectivization of these resonances in the shell model embedded in the continuum. We predict a significant enhancement of the 10 B(p,α) 7 Be cross section at energies accessible to the laser-driven hot plasma facilities.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
NASA NTRS1994

The linear polarization of 3C 345 in the ultraviolet

The linear polarization of 3C 345, a superluminal radio source and OVV quasar, was observed in two bandpasses in the ultraviolet (centered at 2160 A and 2770 A) in 1993 April using the High Speed Photometer on the Hubble Space Telescope. The quasar is significantly polarized in the UV (p greater than 5%). Ground-based polarimetry was obtained 11 days later, but a difference in the position angle between the observations in the visible and those in the UV indicate that the magnitude of the polarization of 3C 345 may have changed over that time. If the two observation sets represent the same state of spectral polarization, then the large UV flux implies that either the polarization of the synchrotron continuum must stop decreasing in the UV, or that there is an additional source of polarized flux in the ultraviolet. Only if the UV observations represent a spectral polarization state with the same position angle in the visible seen previously in 3C 345 can the polarized flux be represented by a single power law consistent with the three-component model of Smith et al. This model consists of a polarized synchrotron component, an unpolarized component from the broad-line region, and an unpolarized component attributed to thermal radiation from an optically thick accretion disk. Additional simultaneous polarimetry in the UV and visible will be required to further constrain models of the continuum emission processes in 3C 345 and determine if the UV polarized flux is synchrotron in origin.

Dolan, Joseph F.↗