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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 1,495 records · Page 83
All sourcesNASA NTRSDOE OSTI
NASA NTRS1998

Shear-Sensitive Liquid Crystal Coating Method: Surface-Inclination Effects on Shear Vector Measurements

The shear-sensitive liquid crystal coating (SSLCC) method is an image-based technique for both visualizing dynamic surface-flow phenomena, such as transition and separation, and for measuring the continuous shear-stress vector distribution acting on an aerodynamic surface. Under proper lighting and viewing conditions (discussed below), the coating changes color in response to an applied aerodynamic shear. This color-change response is continuous and reversible, with a response time of milliseconds, and is a function of both the shear magnitude and the shear vector orientation relative to the observer. The liquid crystal phase of matter is a weakly-ordered, viscous, non-Newtonian fluid state that exists between the nonuniform liquid phase and the ordered solid phase of certain organic compounds. Cholesteric liquid crystal compounds possess a helical molecular arrangement that selectively scatters white light, incident along the helical axis, as a three-dimensional spectrum. This property is linked to the helical pitch length, which is within the range of wavelengths in the visible spectrum. The pitch length, and hence the wavelength of the scattered light, is influenced by shear stress normal to the helical axis. This unique optical property produces a measurable color change in response to an applied shearing force. The full-surface shear stress vector measurement method, developed at NASA-Ames, is schematically illustrated. As with the visualization method, the coated test surface is illuminated from the normal direction with white light and the camera is positioned at an above-plane view angle of approximately 30 deg. Experiments have been initiated at NASA Ames to begin the process of quantifying surface-inclination (surface-curvature) effects on shear vector measurement accuracy. In preliminary experiments, surface-inclination angles theta(sub x), theta(sub y) of 0, +/-5, +/-10, and +/-15 deg were employed. In this arrangement, white-light illumination was positioned normal to the untilted test surface, and the camera above-plane view angle was set at 30 deg relative to the untilted test surface. As can be seen, vector-aligned lambda(sub d) values showed no dependence on theta(sub x) or theta(sub y) for absolute values of these tilt angles is less than or equal to 15 deg. Acquisition and analyses of full-surface color images are presently underway to definitively document the insensitivity limits of the shear vector measurement methodology to surface-slope variations.

Reda, Daniel C.↗
DOE OSTI2023

Understanding Biases in Sample Preparation Techniques for Coupled Scanning Electron Microscopy and MAMA PuO 2 Morphological Analysis

In this project, the scanning electron microscopy (SEM) sampling method used during the statistical design study (SDS) was investigated to determine if any sampling biases were present in the analyzed data. Using standard particle size distribution powders from the National Institute of Standards and Technology (NIST 1984 standard reference material) with the origin wet dispersion method, it was determined that a bias to smaller particles was present. This was supported by theoretical calculations using Stokes’ law to determine the settling rate of spherical particles of roughly the same size and mass as those found in the SDS. Based on the theoretical calculations, it was determined that the settling rate for each of the 76 powder sets in the SDS could be unique based on specific particle shape and mass distributions, making a universal correction factor/formula not applicable. Therefore, priority shifted to developing an improved wet dispersion method that significantly reduced the particle settling rate for all particle size and shapes. This was achieved by replacing the original solvent (isopropyl alcohol) with a heavy liquid (lithium heteropolytungstates), which dramatically slowed the settling rate and allowed for the capture of a suitable homogeneous aliquot. SEM imaging and Morphological Analysis for Material Attribution (MAMA) software analysis were conducted on the NIST standard, and the SEM/MAMA data were compared to data captured by a dynamic image analysis particle size analyzer. The resulting data confirmed that the new wet dispersion method does indeed deliver an improved representative aliquot to the SEM stub. For instance, in the NIST certificate, the average particle size is ~17.1 µm ± 2.2 µm with a normal distribution. The initial wet dispersion method resulted in a drastically reduced average particle size of 6.1 µm in addition to a non-representative heavy bi-modal distribution whereas the improved LST wet dispersion method resulting in an average particle size that was much closer to the NIST certificate (12.7 µm) with a similar normal distribution. Although the improved method was still short of the NIST certificate average, atomic force microscopy analysis determined that the resulting ~20-25% reduction in size was due to particles sinking into the carbon sticky tape used for SEM imaging. It is believed that that this bias can be calibrated in a much more predicable manner than the original settling rate bias. In addition, the matching normal distribution curves between the NIST certificate and the heavy liquid method indicate a much-improved representative aliquot has been sampled and imaged. A surrogate CeO 2 powder was used to reflect PuO 2 more accurately and to aid in implementing radiological controls and shielding. The resulting data sets from the SEM/MAMA method and the particle size analyzer give almost identical average particle sizes and particle distribution statistics. Future work will re-analyze several select runs from the SDS to determine if morphological signatures can be found with the improved sampling method.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2023

Novel method for accurately estimating membrane transport properties and mass transfer coefficients in reverse osmosis

Here, we present a simple and robust method to simultaneously characterize the water and salt permeability (A, B) of reverse osmosis (RO) membranes and mass transfer coefficient (k) in membrane modules. The proposed methodology comprises a set of RO experiments performed at different operating pressures or stages. The measured water and salt fluxes in each stage are simultaneously fitted to the RO transport equations by performing a non-linear regression, using A, B, and k as regression parameters. We first perform a systematic accuracy analysis of the proposed method across the full operational range of RO. The assessment shows that the method accuracy is substantially higher than current methods and increases with number of experimental stages and driving forces. This assessment is used to inform the design of an experimental protocol that minimizes errors in estimated A, B, and k. We then evaluate two commercial RO membranes following the new protocol. For both membranes, A and B parameters decrease by 17% and 15% from the dilute solution to seawater concentrations, whereas the k parameter remains constant. Our study demonstrates that the proposed method, informed by data-driven experimental designs, provides a new approach for accurately characterizing transport phenomenon in membrane processes with feeds of less than 100 g/L total dissolved solids.

36 MATERIALS SCIENCE↗
NASA NTRS1992

Delivery of cardiopulmonary resuscitation in the microgravity environment

The microgravity environment presents several challenges for delivering effective cardiopulmonary resuscitation (CPR). Chest compressions must be driven by muscular force rather than by the weight of the rescuer's upper torso. Airway stabilization is influenced by the neutral body posture. Rescuers will consist of crew members of varying sizes and degrees of physical deconditioning from space flight. Several methods of CPR designed to accommodate these factors were tested in the one G environment, in parabolic flight, and on a recent shuttle flight. Methods: Utilizing study participants of varying sizes, different techniques of CPR delivery were evaluated using a recording CPR manikin to assess adequacy of compressive force and frequency. Under conditions of parabolic flight, methods tested included conventional positioning of rescuer and victim, free floating 'Heimlich type' compressions, straddling the patient with active and passive restraints, and utilizing a mechanical cardiac compression assist device (CCAD). Multiple restrain systems and ventilation methods were also assessed. Results: Delivery of effective CPR was possible in all configurations tested. Reliance on muscular force alone was quickly fatiguing to the rescuer. Effectiveness of CPR was dependent on technique, adequate restraint of the rescuer and patient, and rescuer size and preference. Free floating CPR was adequate but rapidly fatiguing. The CCAD was able to provide adequate compressive force but positioning was problematic. Conclusions: Delivery of effective CPR in microgravity will be dependent on adequate resuer and patient restraint, technique, and rescuer size and preference. Free floating CPR may be employed as a stop gap method until patient restraint is available. Development of an adequate CCAD would be desirable to compensate for the effects of deconditioning.

Barratt, M. R.↗
NASA NTRS2003

Wind Tunnel Database Development using Modern Experiment Design and Multivariate Orthogonal Functions

A wind tunnel experiment for characterizing the aerodynamic and propulsion forces and moments acting on a research model airplane is described. The model airplane called the Free-flying Airplane for Sub-scale Experimental Research (FASER), is a modified off-the-shelf radio-controlled model airplane, with 7 ft wingspan, a tractor propeller driven by an electric motor, and aerobatic capability. FASER was tested in the NASA Langley 12-foot Low-Speed Wind Tunnel, using a combination of traditional sweeps and modern experiment design. Power level was included as an independent variable in the wind tunnel test, to allow characterization of power effects on aerodynamic forces and moments. A modeling technique that employs multivariate orthogonal functions was used to develop accurate analytic models for the aerodynamic and propulsion force and moment coefficient dependencies from the wind tunnel data. Efficient methods for generating orthogonal modeling functions, expanding the orthogonal modeling functions in terms of ordinary polynomial functions, and analytical orthogonal blocking were developed and discussed. The resulting models comprise a set of smooth, differentiable functions for the non-dimensional aerodynamic force and moment coefficients in terms of ordinary polynomials in the independent variables, suitable for nonlinear aircraft simulation.

Morelli, Eugene A.↗
DOE OSTI2018

Dynamic simulation of powder packing structure for powder bed additive manufacturing

Here, powder packing structure is a critical parameter of powder bed-based additive manufacturing (AM). Experimental characterization of powder is typically limited to measuring bulk properties, whereas many numerical models of AM powder packing are based on geometrical consideration without accounting for particle-to-particle interactions. In the present paper, the powder packing dynamics is simulated using a discrete element method (DEM)-based model that solves the mechanical contact forces and moments between individual particles. As DEM uses explicit time integration, a main challenge in modeling dynamics of metallic powder packing is the need for extremely fine time increment size (e.g., in the order of 1 ns for a 10-μm-diameter particle). The effect of mass scaling, employed for speeding up the calculation, on the simulation results is examined in a test case of powder particles packed inside a box container. The calculated packing density for two different particle size distributions is validated against independent literature data for laser powder bed AM with AISI 316L stainless steel powder. The sensitivity of key input parameters (e.g., friction coefficient) is further evaluated in this test case. The powder packing model is then applied to a practical situation of binder jet AM involving rolling of multiple layers of IN718 powder particles onto a powder bed, for which the calculated packing density is also validated with independent literature data.

42 ENGINEERING↗
DOE OSTI2022

Evaluation of Physical Security Risk for Potential Implementation of FLEX using Dynamic Simulation Methods

The requirements for United States nuclear power plants to maintain a large onsite physical security force contribute to their large operational costs. The cost of maintaining the current physical security posture is approximately 10% of the overall operation and maintenance budget for commercial nuclear power plants. The goal of the Light Water Reactor Sustainability Program Physical Security Pathway is to develop tools, methods, and technologies and provide the technical basis for an optimized physical security posture. This pathway will analyze and minimize the conservatisms built into current security postures in order to reduce security costs while still ensuring adequate security and operational safety. The research performed at Idaho National Laboratory within this pathway has successfully developed a dynamic force-on-force (FOF) modeling framework using various computer simulation tools and integrated them with the dynamic assessment Event Modeling Risk Assessment using Linked Diagrams (EMRALD) tool. This document provides an overview of lessons learned in applying a dynamic computational framework that links results from a commercially available FOF simulation tool, a commercially available thermal-hydraulic tool, and EMRALD to an operating commercial nuclear power plant. This process of including plant procedures and multiple analysis results is being called Modeling and Analysis for Safety Security using Dynamic EMRALD Framework. Previous reports described how a user could integrate their plant-specific FOF models with the dynamic simulation tool EMRALD, model operator actions, integrate with probabilistic risk assessment tools, such as Computer Aided Fault Tree Analysis System or Systems Analysis Programs for Hands-on Integrated Reliability Evaluations, and with thermal-hydraulic tools, such as RELAP-5. Previous reports applied various combinations of available simulations codes with EMRALD using generic plant models to demonstrate how to perform the analysis. This report documents the results of applying the dynamic computational framework to an actual nuclear facility using their security scenarios and timelines. The purpose of this study was to verify that results achieved using generic models are similar to actual plant results and to refine our guidance of the use of the framework. Such an assessment enables further analysis, such as what-if scenarios and staff-reduction evaluation, thereby optimizing physical security at plants. NOTE: The work performed in this report is based on a generic EMRALD model with actual plant data used for the analysis. However, only the generic model and general results of the analysis are in the report. No plant’s sensitive information is discussed in this report. The discussion shows examples of insights that can be obtained from the MASS-DEF methodology.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2017

Thermal fluctuations of pair interaction forces in liquid Yukawa systems

The dynamics of charged particles in two- and three-dimensional Yukawa systems is studied using numerical methods. Nonideal systems are simulated in a wide range of their parameters. The density of thermal fluctuations of pair interaction forces in liquid structures is obtained and compared with the internal energy density of the systems under study.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2018

Fast algorithms for evaluating the stress field of dislocation lines in anisotropic elastic media

In dislocation dynamics (DD) simulations, the most computationally intensive step is the evaluation of the elastic interaction forces among dislocation ensembles. Because the pair-wise interaction between dislocations is long-range, this force calculation step can be significantly accelerated by the fast multipole method (FMM). In this study, we implemented and compared four different methods in isotropic and anisotropic elastic media: one based on the Taylor series expansion (Taylor FMM), one based on the spherical harmonics expansion (Spherical FMM), one kernel-independent method based on the Chebyshev interpolation (Chebyshev FMM), and a new kernel-independent method that we call the Lagrange FMM. The Taylor FMM is an existing method, used in ParaDiS, one of the most popular DD simulation softwares. The Spherical FMM employs a more compact multipole representation than the Taylor FMM does and is thus more efficient. However, both the Taylor FMM and the Spherical FMM are difficult to derive in anisotropic elastic media because the interaction force is complex and has no closed analytical formula. The Chebyshev FMM requires only being able to evaluate the interaction between dislocations and thus can be applied easily in anisotropic elastic media. But it has a relatively large memory footprint, which limits its usage. The Lagrange FMM was designed to be a memory-efficient black-box method. Lastly, various numerical experiments are presented to demonstrate the convergence and the scalability of the four methods.

97 MATHEMATICS AND COMPUTING↗
NASA NTRS1981

An influence coefficient method for the application of the modal technique to wing flutter suppression of the DAST ARW-1 wing

The methods used to compute the mass, structural stiffness, and aerodynamic forces in the form of influence coefficient matrices as applied to a flutter analysis of the Drones for Aerodynamic and Structural Testing (DAST) Aeroelastic Research Wing. The DAST wing was chosen because wind tunnel flutter test data and zero speed vibration data of the modes and frequencies exist and are available for comparison. A derivation of the equations of motion that can be used to apply the modal method for flutter suppression is included. A comparison of the open loop flutter predictions with both wind tunnel data and other analytical methods is presented.

Pines, S.↗
DOE OSTI2018

Calculations of non-adiabatic couplings within equation-of-motion coupled-cluster framework: Theory, implementation, and validation against multi-reference methods

In this work, we report an implementation of non-adiabatic coupling (NAC) forces within the equation-of-motion coupled-cluster with single and double excitations (EOM-CCSD) framework via the summed-state approach. Using illustrative examples, we compare NAC forces computed with EOM-CCSD and multi-reference (MR) wave functions (for selected cases, we also consider configuration interaction singles). In addition to the magnitude of the NAC vectors, we analyze their direction, which is important for the calculations of the rate of non-adiabatic transitions. Our benchmark set comprises three doublet radical-cations (hexatriene, cyclohexadiene, and uracil), neutral uracil, and sodium-doped ammonia clusters. When the characters of the states agree among different methods, we observe good agreement between the respective NAC vectors, both in the Franck-Condon region and away. In the cases of large discrepancies between the methods, the disagreement can be attributed to the difference in the states’ character, which, in some cases, is very sensitive to electron correlation, both within single-reference and multi-reference frameworks. Finally, the numeric results confirm that the accuracy of NAC vectors depends critically on the quality of the underlying wave functions. Within their domain of applicability, EOM-CC methods provide a viable alternative to MR approaches.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2019

Modeling Salt-Material Interactions in Molten Salt Reactors: Opportunities and Path Forward

A revitalized interest in molten salt reactor technology has resulted in a concerted effort across US based national laboratories and universities to investigate and overcome the remaining scientific and engineering questions facing the industry. This report provides a detailed description of the atomistic modelling techniques that could be employed to investigate the atomic-level forces and behaviors governing salt chemistry and thermodynamics, and the corrosion of container materials in these systems. The molten salt environment is broken down into three unique regions in which atomic behaviors are governed by separate processes and forces. A discussion is given on how each region can be modelled using different computational methods. The objective of the models presented for each region is to understand and quantify the individual atom-to-atom forces driving corrosion processes and changes in salt chemistry. Once these fundamental mechanisms are better understood, larger models, which connect the regions, can be designed to investigate the long-term non-equilibrium behaviors exhibited by these molten salt systems. With a large enough computational effort, employing the modeling techniques discussed in this report to supplement experimental investigations, a greater understanding of the degradation of salt-facing structural materials can be gained, enabling more accurate lifetime prediction, greater safety and regulatory compliance, and faster material innovation.

36 MATERIALS SCIENCE↗
NASA NTRS1995

Zero side force volute development

Collector scrolls on high performance centrifugal pumps are currently designed with methods which are based on very approximate flowfield models. Such design practices result in some volute configurations causing excessive side loads even at design flowrates. The purpose of this study was to develop and verify computational design tools which may be used to optimize volute configurations with respect to avoiding excessive loads on the bearings. The new design methodology consisted of a volute grid generation module and a computational fluid dynamics (CFD) module to describe the volute geometry and predict the radial forces for a given flow condition, respectively. Initially, the CFD module was used to predict the impeller and the volute flowfields simultaneously; however, the required computation time was found to be excessive for parametric design studies. A second computational procedure was developed which utilized an analytical impeller flowfield model and an ordinary differential equation to describe the impeller/volute coupling obtained from the literature, Adkins & Brennen (1988). The second procedure resulted in 20 to 30 fold increase in computational speed for an analysis. The volute design analysis was validated by postulating a volute geometry, constructing a volute to this configuration, and measuring the steady radial forces over a range of flow coefficients. Excellent agreement between model predictions and observed pump operation prove the computational impeller/volute pump model to be a valuable design tool. Further applications are recommended to fully establish the benefits of this new methodology.

Anderson, P. G.↗
NASA NTRS2003

A Comparison of Active and Passive Methods for Control of Hypersonic Boundary Layers on Airbreathing Configurations

Active and passive methods for control of hypersonic boundary layers have been experimentally examined in NASA Langley Research Center wind tunnels on a Hyper-X model. Several configurations for forcing transition using passive discrete roughness elements and active mass addition, or blowing, methods were compared in two hypersonic facilities, the 20-Inch Mach 6 Air and the 31-Inch Mach 10 Air tunnels. Heat transfer distributions, obtained via phosphor thermography, shock system details, and surface streamline patterns were measured on a 0.333-scale model of the Hyper-X forebody. The comparisons between the active and passive methods for boundary layer control were conducted at test conditions that nearly match the nominal Mach 7 flight trajectory of an angle-of-attack of 2-deg and length Reynolds number of 5.6 million. For the passive roughness examination, the primary parametric variation was a range of trip heights within the calculated boundary layer thickness for several trip concepts. The prior passive roughness study resulted in a swept ramp configuration being selected for the Mach 7 flight vehicle that was scaled to be roughly 0.6 of the calculated boundary layer thickness. For the active jet blowing study, the blowing manifold pressure was systematically varied for each configuration, while monitoring the mass flow, to determine the jet penetration height with schlieren and transition movement with the phosphor system for comparison to the passive results. All the blowing concepts tested were adequate for providing transition onset near the trip location with manifold stagnation pressures on the order of 40 times the model static pressure or higher.

Berry, Scott A.↗
DOE OSTI2017

Development of reactive force fields using ab initio molecular dynamics simulation minimally biased to experimental data

Incorporation of quantum mechanical electronic structure data is necessary to properly capture the physics of many chemical processes. Proton hopping in water, which involves rearrangement of chemical and hydrogen bonds, is one such example of an inherently quantum mechanical process. Standard ab initio molecular dynamics (AIMD) methods, however, do not yet accurately predict the structure of water and are therefore less than optimal for developing force fields. We have instead utilized here a recently developed method which minimally biases AIMD simulations to match limited experimental data to develop novel multiscale reactive molecular dynamics (MS-RMD) force fields by using relative entropy minimization. In this paper, we present two new MS-RMD models using such a parameterization: one which employs water with harmonic internal vibrations and another which uses anharmonic water. We show that the newly developed MS-RMD models very closely reproduce the solvation structure of the hydrated excess proton in the target AIMD data. We also find that the use of anharmonic water increases proton hopping, thereby increasing the proton diffusion constant.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2023

Tailoring the Weight of Surface and Intralayer Edge States to Control LUMO Energies

Abstract The energies of the frontier molecular orbitals determine the optoelectronic properties in organic films, which are crucial for their application, and strongly depend on the morphology and supramolecular structure. The impact of the latter two properties on the electronic energy levels relies primarily on nearest‐neighbor interactions, which are difficult to study due to their nanoscale nature and heterogeneity. Here, an automated method is presented for fabricating thin films with a tailored ratio of surface to bulk sites and a controlled extension of domain edges, both of which are used to control nearest‐neighbor interactions. This method uses a Langmuir–Schaefer‐type rolling transfer of Langmuir layers (rtLL) to minimize flow during the deposition of rigid Langmuir layers composed of π‐conjugated molecules. Using UV–vis absorption spectroscopy, atomic force microscopy, and transmission electron microscopy, it is shown that the rtLL method advances the deposition of multi‐Langmuir layers and enables the production of films with defined morphology. The variation in nearest‐neighbor interactions is thus achieved and the resulting systematically tuned lowest unoccupied molecular orbital (LUMO) energies (determined via square‐wave voltammetry) enable the establishment of a model that functionally relates the LUMO energies to a morphological descriptor, allowing for the prediction of the range of accessible LUMO energies.

36 MATERIALS SCIENCE↗
NASA NTRS1993

Successful combination of the stochastic linearization and Monte Carlo methods

A combination of a stochastic linearization and Monte Carlo techniques is presented for the first time in literature. A system with separable nonlinear damping and nonlinear restoring force is considered. The proposed combination of the energy-wise linearization with the Monte Carlo method yields an error under 5 percent, which corresponds to the error reduction associated with the conventional stochastic linearization by a factor of 4.6.

Elishakoff, I.↗
DOE OSTI2019

Intersublattice magnetocrystalline anisotropy using a realistic tight-binding method based on maximally localized Wannier functions

Using a realistic tight-binding Hamiltonian based on maximally localized Wannier functions, we investigate the two-ion magnetocrystalline anisotropy energy (MAE) in L 1 0 transition metal compounds. MAE contributions from throughout the Brillouin zone are obtained using magnetic force theorem calculations with and without perturbation theory. The results from both methods agree with each other, and both reflect features of the Fermi surface. The intrasublattice and intersublattice contributions to MAE are evaluated using a Green's function method. We find that the sign of the intersublattice contribution varies among compounds, and that its amplitude may be significant, suggesting MAE can not be resolved accurately in a single-ion manner. The results are further validated by scaling spin-orbit-coupling strength in density functional theory. Altogether, this realistic tight-binding method provides an effective approach to evaluate and analyze MAE while retaining the accuracy of corresponding first-principles methods.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗