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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 1,117 records · Page 62
All sourcesNASA NTRSDOE OSTI
NASA NTRS1974

Large deflection elastic-plastic dynamic response of stiffened shells of revolution

This paper presents the formulation and check-out problems for a computer code DYNAPLAS, which analyzes the large deflection elastic-plastic dynamic response of stiffened shells of revolution. The formulation for spacial discretization is by the finite element method with finite differences being used for the evaluation of the pseudo forces due to material and geometric nonlinearities. Time integration is by the Houbolt method or central differences. The stiffeners may be due to concentrated or distributed eccentric rings and spring supports at arbitrary angles around the circumference of the elements. Check-out problems include the comparison of solutions from DYNAPLAS with experimental and other computer solutions for rings and conical and cylindrical shells. A hypothetical submarine including stiffeners and missile tube is studied under a combination of hydrostatic and dynamically applied asymmetrical pressure loadings.

Stricklin, J. A.↗
DOE OSTI2023

Discrete element model for powder grain interactions under high compressive stress

A reduced order, nonlocal model is proposed for the contact force between initially spherical particles under compression. The model in effect provides the normal component of the interaction force between elements in the discrete element method (DEM). It is applicable to high relative density and large stress in powder compaction. It takes into account the mutual interaction between multiple points of contact, in contrast to the usual assumption in DEM of pair interactions. The mathematical form of the model is derived from a variational formulation that leads to the momentum balance for the forces on each grain. The model is calibrated mainly using detailed three dimensional peridynamic simulations of single grains under compressive loading by rigid plates that move radially with prescribed velocity. This calibration takes into account the large deformation and fracture of the grains. The interaction model also includes terms for the unloading behavior and adhesion. Finally, as validation, the model is applied to test data on the compaction of microcrystalline cellulose bulk powder.

36 MATERIALS SCIENCE↗
NASA NTRS1989

Procedure for estimating aerodynamics of three-dimensional bodies in transitional flow

Based on considerations of fluid dynamic simulation appropriate to hypersonic, viscous flow over blunt-nosed lifting bodies, a method was presented earlier for estimating drag coefficients in the transitional-flow regime. The extension of the same method to prediction of lift coefficients is presented in this paper. Correlation of available experimental data by a simulation parameter appropriate for this purpose is the basis of the procedure described. Under low-density, hypersonic flow conditions, the overriding importance of projected and wetted areas, rather than details of body configuration, support this approach for finding aerodynamic forces. The ease of application of the method makes it useful for preliminary studies that involve a wide variety of three-dimensional vehicle configurations or a range of angles of attack of a given vehicle. It is also easy to examine the influence of different assumptions regarding gas/surface interaction parameters.

Potter, J. Leith↗
DOE OSTI2022

Robust and scalable uncertainty estimation with conformal prediction for machine-learned interatomic potentials

Abstract Uncertainty quantification (UQ) is important to machine learning (ML) force fields to assess the level of confidence during prediction, as ML models are not inherently physical and can therefore yield catastrophically incorrect predictions. Established a-posteriori UQ methods, including ensemble methods, the dropout method, the delta method, and various heuristic distance metrics, have limitations such as being computationally challenging for large models due to model re-training. In addition, the uncertainty estimates are often not rigorously calibrated. In this work, we propose combining the distribution-free UQ method, known as conformal prediction (CP), with the distances in the neural network’s latent space to estimate the uncertainty of energies predicted by neural network force fields. We evaluate this method (CP+latent) along with other UQ methods on two essential aspects, calibration, and sharpness, and find this method to be both calibrated and sharp under the assumption of independent and identically-distributed (i.i.d.) data. We show that the method is relatively insensitive to hyperparameters selected, and test the limitations of the method when the i.i.d. assumption is violated. Finally, we demonstrate that this method can be readily applied to trained neural network force fields with traditional and graph neural network architectures to obtain estimates of uncertainty with low computational costs on a training dataset of 1 million images to showcase its scalability and portability. Incorporating the CP method with latent distances offers a calibrated, sharp and efficient strategy to estimate the uncertainty of neural network force fields. In addition, the CP approach can also function as a promising strategy for calibrating uncertainty estimated by other approaches.

74 ATOMIC AND MOLECULAR PHYSICS↗
NASA NTRS2012

New Approaches in Force-Limited Vibration Testing of Flight Hardware

To qualify flight hardware for random vibration environments the following methods are used to limit the loads in the aerospace industry: (1) Response limiting and notching (2) Simple TDOF model (3) Semi-empirical force limits (4) Apparent mass, etc. and (5) Impedance method. In all these methods attempts are made to remove conservatism due to the mismatch in impedances between the test and the flight configurations of the hardware that are being qualified. Assumption is the hardware interfaces have correlated responses. A new method that takes into account the un-correlated hardware interface responses are described in this presentation.

Random Vibration↗
DOE OSTI2022

An immersed interface method for the 2D vorticity-velocity Navier-Stokes equations with multiple bodies

We present an immersed interface method for the vorticity-velocity form of the 2D Navier Stokes equations that directly addresses challenges posed by nonconvex immersed bodies, multiply connected domains, and the calculation of force distributions on immersed surfaces. The immersed interface method is re-interpreted as a polynomial extrapolation of flow quantities and boundary conditions into the immersed solid bodies, reducing computational cost and enabling simulations with nonconvex bodies that could not be discretized with previous immersed interface methods. In the flow, the vorticity transport equation is discretized using a conservative finite difference scheme and explicit Runge-Kutta time integration. The velocity reconstruction problem is transformed to a scalar Poisson equation that is discretized with conservative finite differences, and solved using an FFT-accelerated iterative algorithm. The use of conservative differencing throughout leads to exact enforcement of a discrete Kelvin's theorem, allowing for simulations with multiply connected domains and outflow boundaries that have challenged other immersed interface vortex methods. We also explore novel methods for recovering time-dependent pressure distributions on immersed bodies within a vorticity-based method and present a novel control volume formulation for recovering aerodynamic moments from only the vorticity and velocity fields. The method achieves second order spatial accuracy and third order temporal accuracy, and is validated on a variety of 2D flows in internal and free-space domains.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2019

Accuracy of tip-sample interaction measurements using dynamic atomic force microscopy techniques: Dependence on oscillation amplitude, interaction strength, and tip-sample distance

Atomic force microscopy (AFM) is a versatile surface characterization method that can map a sample’s topography with high spatial resolution while simultaneously interrogating its surface chemistry through the site-specific high-resolution quantification of the forces acting between the sample and the probe tip. Thanks to considerable advances in AFM measurement technology, such local measurements of chemical properties have gained much popularity in recent years. To this end, dynamic AFM methodologies are implemented where either the oscillation frequency or the oscillation amplitude and phase of the vibrating cantilever are recorded as a function of tip-sample distance and subsequently converted to reflect tip-sample forces or interaction potentials. Such conversion has, however, been shown to produce non-negligible errors when applying the most commonly used mathematical conversion procedures if oscillation amplitudes are of the order of the decay length of the interaction. Extending on these earlier findings, the computational study presented in this paper reveals that the degree of divergence from actual values may also critically depend on both the overall strength of tip-sample interaction and the distance at which the interaction is obtained. These systematic errors can, however, be effectively eliminated by using oscillation amplitudes that are sufficiently larger than the decay length of the interaction potential.

Electrical properties and parameters↗
DOE OSTI2017

Theoretical Calculation and Simulation Studies of Balancing Forces and Axisymmetric Poloidal Halo Current in EAST

A new technology for developing fusion energy is to use hydrogen isotopes i.e., deuterium (D) and tritium (T) which is a combine effort for building up of International Thermonuclear Reactor (ITER) named as Tokamak, which will come into operation in 2020. Handsome amount of work has already been performed by many scientists contingent with plasma shape, halo current and plasma equilibrium properties by numerical techniques. Halo current calculation is the most important work in fusion reactors. In this paper, halo current and plasma cross-section energy have been calculated. The research covers calculation of plasma energy and determines the force on the vessel by magnetic field transformation method, which is the essential part of calculating halo current. Further, vertical displacement event (VDE) up/down halo current models have been calculated. These models give total magnetic field, asymmetric forces, conducting points and poloidal halo current.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2024

Machine Learned Force Field Modeling of Metal Organic Frameworks for CO2 Direct Air Capture

Metal organic frameworks (MOFs) are a large class of porous materials and have garnered significant interest due to their large surface areas and their tunable physical and chemical properties. Numerous prior studies have been performed to screen large databases of this material class for promising DAC sorbent materials. These studies have often relied on classical model potentials. While density functional theory (DFT) calculations have been shown to be very accurate for modeling the interaction of CO2 with MOFs, such calculations are too computationally demanding for statistically significant adsorption predictions. To overcome this barrier, we developed methods for training models to achieve DFT-level accuracy for the forces and energies associated with MOF flexibility and CO2 adsorption using machine learned force fields (MLFFs). These methods were parametrized based on DFT calculations of CO2 in a flexible MOF and used to predict MOF structural properties as well as CO2 adsorption in several MOFs.

Findley, John↗
NASA NTRS1994

Dynamic force response of spherical hydrostatic journal bearing for cryogenic applications

Hydrostatic Journal Bearings (HJB's) are reliable and resilient fluid film rotor support elements ideal to replace roller bearings in cryogenic turbomachinery. HJB' will be used for primary space-power applications due to their long lifetime, low friction and wear, large load capacity, large direct stiffness, and damping force coefficients. An analysis for the performance characteristics of turbulent flow, orifice compensated, spherical hydrostatic journal bearings (HJB's) is presented. Spherical bearings allow tolerance for shaft misalignment without force performance degradation and have also the ability to support axial loads. The spherical HJB combines these advantages to provide a bearing design which could be used efficiently on high performance turbomachinery. The motion of a barotropic liquid on the thin film bearing lands is described by bulk-flow mass and momentum equations. These equations are solved numerically using an efficient CFD method. Numerical predictions of load capacity and force coefficients for a 6 recess, spherical HJB in a LO2 environment are presented. Fluid film axial forces and force coefficients of a magnitude about 20% of the radial load capacity are predicted for the case analyzed. Fluid inertia effects, advective and centrifugal, are found to affect greatly the static and dynamic force performance of the bearing studied.

Sanandres, Luis↗
DOE OSTI2019

Force Sensing in Nanoscale: Integration of Virtual Spring for Sensing the Interactions of β-Amyloid Grabbed by Prefoldin

Analysis of atomic forces in molecular scale including the reciprocal internal force directions, quantity, and Young’s modulus, and more detailed analysis via diagrams, is one of the most current research topics. This research aims to analyze the bilateral forces applied between a nano-actuator and a cargo from a new perspective. While virtual springs have been used as a tool to convey forces in the previous steered molecular dynamics simulations, this study uses the spring as a sensor for measuring the internal forces. This study introduces atomic sensing via the steered molecular dynamics method. Following the previous studies, the protein employed in this study is the mutated Archetype Prefoldin being used to control the pathogenic cargo beta-amyloid (Alzheimer’s). The powerful Gromacs software carries out the simulations for the calculation of the total force and force for each branch. The simulation results illustrate the total force between the cargo and nano-actuator is ~ 2.8 nN, while each branch needs a force of ~ 1.2–1.5 nN to release the cargo. The results demonstrate the validity of the method and applicability of the virtual sensor for assessing the microscopic forces. This investigation is a pioneer study for the advent of the sensor as an assessment tool for the mechanical analysis and precise atomic force studies.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2017

Environmental Selection, Dispersal, and Organism Interactions Shape Community Assembly in High-Throughput Enrichment Culturing

A central goal of microbial ecology is to identify and quantify the forces that lead to observed population distributions and dynamics. However, these forces, which include environmental selection, dispersal, and organism interactions, are often difficult to assess in natural environments. Here in this paper, we present a method that links microbial community structures with selective and stochastic forces through highly replicated subsampling and enrichment of a single environmental inoculum. Specifically, groundwater from a well-studied natural aquifer was serially diluted and inoculated into nearly 1,000 aerobic and anaerobic nitrate-reducing cultures, and the final community structures were evaluated with 16S rRNA gene amplicon sequencing. We analyzed the frequency and abundance of individual operational taxonomic units (OTUs) to understand how probabilistic immigration, relative fitness differences, environmental factors, and organismal interactions contributed to divergent distributions of community structures. We further used a most probable number (MPN) method to estimate the natural condition-dependent cultivable abundance of each of the nearly 400 OTU cultivated in our study and infer the relative fitness of each. Additionally, we infer condition-specific organism interactions and discuss how this high-replicate culturing approach is essential in dissecting the interplay between overlapping ecological forces and taxon-specific attributes that underpin microbial community assembly. IMPORTANCE Through highly replicated culturing, in which inocula are subsampled from a single environmental sample, we empirically determine how selective forces, interspecific interactions, relative fitness, and probabilistic dispersal shape bacterial communities. These methods offer a novel approach to untangle not only interspecific interactions but also taxon-specific fitness differences that manifest across different cultivation conditions and lead to the selection and enrichment of specific organisms. Additionally, we provide a method for estimating the number of cultivable units of each OTU in the original sample through the MPN approach.

16S RNA↗
DOE OSTI2025

A bi-channel aided stitching of atomic force microscopy images

Microscopy is an essential tool in scientific research, enabling the visualization of structures at micro- and nanoscale resolutions. However, the field of microscopy often encounters limitations in field-of-view (FOV), restricting the amount of sample that can be imaged in a single capture. To overcome this limitation, image stitching techniques have been developed to seamlessly merge multiple overlapping images into a single, high-resolution composite. The images collected from microscope need to be optimally stitched before accurate physical information can be extracted from post analysis. However, the existing stitching tools either struggle to stitch images together when the microscopy images are feature sparse or cannot address all the transformations of images when performing image stitching. To address these issues, we propose a bi-channel aided feature-based image stitching method and demonstrate its use on Atomic Force Microscopy (AFM) generated Pantoea sp. YR343 biofilm and PTO thin film sample images as experimental data. The topographical channel image of AFM data captures the morphological details of the sample, and a stitched topographical image is desired for researchers. We utilize the amplitude and phase channels of AFM data to maximize the matching features and to estimate the position of the original topographical images and show that the proposed bi-channel aided stitching method outperforms the traditional direct stitching approach in AFM topographical image stitching task. Here, we demonstrated the application on AFM, but similar approaches could be employed of optical microscopy with brightfield and fluorescence channels. We believe this proposed workflow can serve as a valuable augmentation strategy for microscopy image stitching tasks and will benefit the experimentalist to avoid erroneous analysis and discovery due to incorrect stitching.

Atomic force microscopy↗
NASA NTRS1981

Nonparametric identification of a class of nonlinear close-coupled dynamic systems

A nonparametric identification technique for the identification of close coupled dynamic systems with arbitrary memoryless nonlinearities is presented. The method utilizes noisy recorded data (acceleration, velocity and displacement) to identify the restoring forces in the system. The masses in the system are assumed to be known (or fairly well estimated from the design drawings). The restoring forces are expanded in a series of orthogonal polnomials and the coefficients of these polynomial expansions are obtained by using least square fit method. A particularly simple and computationally efficient method is proposed for dealing with separable restoring forces. The identified results are found to be relatively insensitive to measurement noise. An analysis of the effects of measurement noise on the quality of the estimates is given. The computations are shown to be relatively quick (when compared say to the Wiener identification method) and the core storage required relatively small, making the method suitable for onboard identification of large space structures.

Udwadia, F. E.↗
DOE OSTI2024

Samoa Updater: An Application of the Levenberg-Marquardt Method to Update DELFIC Predictions Using Field Measurements

The US Department of Energy (DOE) Forensics Operations (DFO) is a member of the Ground Collections Task Force (GCTF), which is responsible for sample collection of radiological debris for attribution should a nuclear detonation ever occur in the United States. The DFO runs the Defense Land Fallout Interpretive Code (DELFIC) Fallout Planning Tool to predict the deposition of fallout from a nuclear detonation. This prediction is refined using the DELFIC Updater tool, which takes ground measurements and adjusts DELFIC inputs to minimize the difference between prediction and observation, yielding improved predictions of fallout in locations both measured and not yet measured. Samoa, a framework for uncertainty analysis and optimization, is used to improve DELFIC predictive fallout modeling. This new capability using Samoa, dubbed “Samoa Updater,” is compared with the current DELFIC Updater, a brute-force sampling approach. Samoa Updater uses the Levenberg– Marquardt (LM) method, a gradient-based nonlinear least squares approach that uses the functional shape of the input space to increase optimization speed. In simulated test cases Samoa Updater yields faster and more accurate solutions than the current Updater.

45 MILITARY TECHNOLOGY, WEAPONRY, AND NATIONAL DEF↗
NASA NTRS2007

Robustness of Modeling of Out-of-Service Gas Mechanical Face Seal

Gas lubricated mechanical face seal are ubiquitous in many high performance applications such as compressors and gas turbines. The literature contains various analyses of seals having orderly face patterns (radial taper, waves, spiral grooves, etc.). These are useful for design purposes and for performance predictions. However, seals returning from service (or from testing) inevitably contain wear tracks and warped faces that depart from the aforementioned orderly patterns. Questions then arise as to the heat generated at the interface, leakage rates, axial displacement and tilts, minimum film thickness, contact forces, etc. This work describes an analysis of seals that may inherit any (i.e., random) face pattern. A comprehensive computer code is developed, based upon the Newton- Raphson method, which solves for the equilibrium of the axial force and tilting moments that are generated by asperity contact and fluid film effects. A contact mechanics model is incorporated along with a finite volume method that solves the compressible Reynolds equation. Results are presented for a production seal that has sustained a testing cycle.

Green, Itzhak↗
NASA NTRS2010

Charge-Spot Model for Electrostatic Forces in Simulation of Fine Particulates

The charge-spot technique for modeling the static electric forces acting between charged fine particles entails treating electric charges on individual particles as small sets of discrete point charges, located near their surfaces. This is in contrast to existing models, which assume a single charge per particle. The charge-spot technique more accurately describes the forces, torques, and moments that act on triboelectrically charged particles, especially image-charge forces acting near conducting surfaces. The discrete element method (DEM) simulation uses a truncation range to limit the number of near-neighbor charge spots via a shifted and truncated potential Coulomb interaction. The model can be readily adapted to account for induced dipoles in uncharged particles (and thus dielectrophoretic forces) by allowing two charge spots of opposite signs to be created in response to an external electric field. To account for virtual overlap during contacts, the model can be set to automatically scale down the effective charge in proportion to the amount of virtual overlap of the charge spots. This can be accomplished by mimicking the behavior of two real overlapping spherical charge clouds, or with other approximate forms. The charge-spot method much more closely resembles real non-uniform surface charge distributions that result from tribocharging than simpler approaches, which just assign a single total charge to a particle. With the charge-spot model, a single particle may have a zero net charge, but still have both positive and negative charge spots, which could produce substantial forces on the particle when it is close to other charges, when it is in an external electric field, or when near a conducting surface. Since the charge-spot model can contain any number of charges per particle, can be used with only one or two charge spots per particle for simulating charging from solar wind bombardment, or with several charge spots for simulating triboelectric charging. Adhesive image-charge forces acting on charged particles touching conducting surfaces can be up to 50 times stronger if the charge is located in discrete spots on the particle surface instead of being distributed uniformly over the surface of the particle, as is assumed by most other models. Besides being useful in modeling particulates in space and distant objects, this modeling technique is useful for electrophotography (used in copiers) and in simulating the effects of static charge in the pulmonary delivery of fine dry powders.

Walton, Otis R.↗
NASA NTRS1938

Calculation of the chordwise load distribution over airfoil sections with plain, split, or serially hinged trailing-edge flaps

A method is presented for the rapid calculation of the incremental chordwise normal-force distribution over an airfoil section due to the deflection of a plain flap or tab, a split flap, or a serially hinged flap. This report is intended as a supplement to NACA Report no. 631, wherein a method is presented for the calculation of the chordwise normal-force distribution over an airfoil without a flap or, as it may be considered, an airfoil with flap (or flaps) neutral. The method enables the determination of the form and magnitude of the incremental normal-force distribution to be made for an airfoil-flap combination for which the section characteristics have been determined. A method is included for the calculation of the flap normal-force and hinge-moment coefficients without necessitating a determination of the normal-force distribution.

Allen, H Julian↗