Search NASA⌕ Search

SEARCH · Search NASA

Results for “force method”

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.

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

At least 901 records · Page 50
All sourcesNASA NTRSDOE OSTI
DOE OSTI2026

Wilson loops with neural networks

Wilson loops are essential objects in QCD and have been pivotal in scale setting and demonstrating confinement. Various generalizations are crucial for computations needed in effective field theories. In lattice gauge theory, Wilson loop calculations face challenges, including excited-state contamination at short times and the signal-to-noise ratio issue at longer times. To address these problems, we develop a new method by using neural networks to parametrize interpolators for the static quark-antiquark pair. We construct gauge-equivariant layers for the network and train it to find the ground state of the system. The trained network itself is then treated as our new observable for the inference. Our results demonstrate a significant improvement in the signal compared to traditional Wilson loops, performing as well as Coulomb-gauge Wilson-line correlators while maintaining gauge invariance. Additionally, we present an example where the optimized ground state is used to measure the static force directly, as well as another example combining this method with the multilevel algorithm. Finally, we extend the formalism to find excited-state interpolators for static quark-antiquark systems. To our knowledge, this work is the first study of neural networks with a physically motivated loss function for Wilson loops.

Bellscheidt, Verena [Massachusetts Inst. of Techno↗
DOE OSTI2018

Charge gradient microscopy

A method for rapid imaging of a material specimen includes positioning a tip to contact the material specimen, and applying a force to a surface of the material specimen via the tip. In addition, the method includes moving the tip across the surface of the material specimen while removing electrical charge therefrom, generating a signal produced by contact between the tip and the surface, and detecting, based on the data, the removed electrical charge induced through the tip during movement of the tip across the surface. The method further includes measuring the detected electrical charge.

36 MATERIALS SCIENCE↗
DOE OSTI2015

Testing thermal gradient driving force for grain boundary migration using molecular dynamics simulations

Strong thermal gradients in low-thermal-conductivity ceramics may drive extended defects, such as grain boundaries and voids, to migrate in preferential directions. In this work, molecular dynamics simulations are conducted to study thermal gradient driven grain boundary migration and to verify a previously proposed thermal gradient driving force equation, using uranium dioxide as a model system. It is found that a thermal gradient drives grain boundaries to migrate up the gradient and the migration velocity increases under a constant gradient owing to the increase in mobility with temperature. Different grain boundaries migrate at very different rates due to their different intrinsic mobilities. The extracted mobilities from the thermal gradient driven simulations are compared with those calculated from two other well-established methods and good agreement between the three different methods is found, demonstrating that the theoretical equation of the thermal gradient driving force is valid, although a correction of one input parameter should be made. The discrepancy in the grain boundary mobilities between modeling and experiments is also discussed.

36 MATERIALS SCIENCE↗
DOE OSTI2015

Note: Improved calibration of atomic force microscope cantilevers using multiple reference cantilevers

Overall precision of the simplified calibration method in J. E. Sader et al., Rev. Sci. Instrum. 83, 103705 (2012), Sec. III D, is dominated by the spring constant of the reference cantilever. The question arises: How does one take measurements from multiple reference cantilevers, and combine these results, to improve uncertainty of the reference cantilever’s spring constant and hence the overall precision of the method? This question is addressed in this note. Its answer enables manufacturers to specify of a single set of data for the spring constant, resonant frequency, and quality factor, from measurements on multiple reference cantilevers. With this data set, users can trivially calibrate cantilevers of the same type.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2026

Maximizing machine learning interatomic potential transferability for the discovery of the novel stellated octadecagon Bi18-Pt24 cage structure

Achieving true transferability remains the central challenge for Machine Learning Interatomic Potentials (ML-IAPs) in modeling complex bimetallic nanoclusters across their vast potential energy surfaces. We systematically investigate data selection strategies to optimize the Chebyshev Interaction Model for Efficient Simulation (ChIMES) potential for the Bi-Pt nanoclusters by comparing three innovative sampling methods: Principal Component Analysis (PCA)/k-means (structural diversity), t-distributedStochasticNeighborEmbedding (t-SNE)/k-means (force-space diversity), and hierarchical clustering. Quantitatively, the PCA/k-means strategy proved most effective for global accuracy, yielding the lowest force errors and achieving energy root mean square errors (RMSE) values competitive with Density Functional Theory (DFT), demonstrating excellent accuracy (19.16meV/atom). Structural validation on 34 unique DFT-optimized isomers further confirmed the potential’s high fidelity, with the best model PCA/k-means reproducing structures with an average root mean square deviation (RMSD) of 0.10 Å. However, the t-SNE methods, by maximizing diversity in the force space, demonstrated superior extrapolative power, leading to the more precise prediction of a novel stellated octadecagon Bi18⁢Pt24 cage structure, demonstrating the potential for exploring previously unseen morphologies. Our results establish a clear methodology for strategic data sampling that successfully maximizes ML-IAP transferability, providing an accurate and computationally efficient tool that accelerates the theoretical discovery of complex bimetallic architectures.

Vangheluwe, Raphaël [Université Paris-Saclay, CNRS↗
DOE OSTI2012

THORs Power Method for Hydrokinetic Devices (Final Report)

Ocean current energy represents a vast untapped source of renewable energy that exists on the outer continental shelf areas of the 5 major continents. Ocean currents are unidirectional in nature and are perpetuated by thermal and salinity sea gradients, as well as coriolis forces imparted from the earth's rotation. This report details THORs Power Method, a breakthrough power control method that can provide dramatic increases to the capacity factor over and above existing marine hydrokinetic (MHK) devices employed in the extraction of energy from ocean currents. THORs Power Method represents a constant speed, variable depth operational method that continually locates the ocean current turbine at a depth at which the rated power of the generator is routinely achieved. Variable depth operation is achieved by using various vertical force effectors, including ballast tanks for variable weight, a hydrodynamic wing for variable lift or down force and drag flaps for variable vehicle drag forces.

16 TIDAL AND WAVE POWER↗
DOE OSTI2012

A Reduced-Boundary-Function Method for Convective Heat Transfer with Axial Heat Conduction and Viscous Dissipation

We introduce a method of solution for the convective heat transfer under forced laminar flow that is confined by two parallel plates with a distance of 2a or by a circular tube with a radius of a. The advection-conduction equation is first mapped onto the boundary. The original problem of solving the unknown field is reduced to seek the solutions of T at the boundary (r=a or r=0, r is the distance from the centerline shown in Fig. 1), i.e. the boundary functions and/or . In this manner, the original problem is significantly simplified by reducing the problem dimensionality from 3 to 2. The unknown field can be eventually solved in terms of these boundary functions. The method is applied to the convective heat transfer with uniform wall temperature boundary condition and with heat exchange between flowing fluids and its surroundings that is relevant to the geothermal applications. Analytical solutions are presented and validated for the steady state problem using the proposed method.

Heat Transport, Convective, Conduction, Multi-scal↗
DOE OSTI2015

Computer modeling of properties of complex molecular systems

Large molecular aggregates present important examples of strongly nonhomogeneous systems. We apply combined quantum mechanics / molecular mechanics approaches that assume treatment of a part of the system by quantum-based methods and the rest of the system with conventional force fields. Herein we illustrate these computational approaches by two different examples: (1) large-scale molecular systems mimicking natural photosynthetic centers, and (2) components of prospective solar cells containing titan dioxide and organic dye molecules. We demonstrate that modern computational tools are capable to predict structures and spectra of such complex molecular aggregates.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2023

Comparison of two pressure–temperature equilibration methods

We compare and contrast the traditionally used method of solving the pressure–temperature equilibration problem in hydrodynamics, where specific internal energy and density are considered independent variables, with a different method where pressure and temperature are independent variables. With the goal of examining the robustness of the two methods as the number of components increases, we examine 2-, 4-, 6-, and 8-component systems. After equilibrating more than 10 4 initial conditions for each system using both methods, we demonstrate that the latter method constrains the search space by lowering its dimensionality and forces a better initial guess, resulting in a higher probability of convergence to solution with fewer, cheaper iterations.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2026

Implementation of a High-Mach Integral Boundary Layer Method for Arbitrary Streamlined Body Geometry

The Momentum-Energy Integral Technique (MEIT) is an integral boundary layer method for the high-Mach flow regime used to approximate heat transfer and viscous force quantities of interest along streamlines of an inviscid flow solution on the surface of a flight vehicle. This method allows rapid mid-fidelity estimation of these quantities which would otherwise require a much more expensive viscous flow solution to produce. Integral boundary layer methods like MEIT have been around for decades, though usually only formulated for simple geometries such as 2-dimensional wing shapes or axi-symmetric nose shapes. The implementation discussed herein has been generalized to apply to any 3-dimensional streamlined body geometry through correct treatment of the curvilinear axes (streamline attached) momentum and energy entrainment terms, and handling of arbitrary stagnation region geometry. This implementation is provided as a software package for the Python environment, along with readers for common inviscid flow solution providers such as NASA’s CART3D flow solver.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2014

Parameter sensitivity analysis of nonlinear piezoelectric probe in tapping mode atomic force microscopy for measurement improvement

The equations of motion for a piezoelectric microcantilever are derived for a nonlinear contact force. The analytical expressions for natural frequencies and mode shapes are obtained. Then, the method of multiple scales is used to analyze the analytical frequency response of the piezoelectric probe. The effects of nonlinear excitation force on the microcantilever beam's frequency and amplitude are analytically studied. The results show a frequency shift in the response resulting from the force nonlinearities. This frequency shift during contact mode is an important consideration in the modeling of AFM mechanics for generation of more accurate imaging. Also, a sensitivity analysis of the system parameters on the nonlinearity effect is performed. The results of a sensitivity analysis show that it is possible to choose parameters such that the frequency shift minimizes. Certain parameters such as tip radius, microcantilever beam dimensions, and modulus of elasticity have more influence on the nonlinearity of the system than other parameters. By changing only three parameters—tip radius, thickness, and modulus of elasticity of the microbeam—a more than 70% reduction in nonlinearity effect was achieved.

36 MATERIALS SCIENCE↗
DOE OSTI2014

Electromechanics of graphene spirals

Among the most fascinating nanostructure morphologies are spirals, hybrids of somewhat obscure topology and dimensionality with technologically attractive properties. Here, we investigate mechanical and electromechanical properties of graphene spirals upon elongation by using density-functional tight-binding, continuum elasticity theory, and classical force field molecular dynamics. It turns out that electronic properties are governed by interlayer interactions as opposed to strain effects. The structural behavior is governed by van der Waals interaction: in its absence spirals unfold with equidistant layer spacings, ripple formation at spiral perimeter, and steadily increasing axial force; in its presence, on the contrary, spirals unfold via smooth local peeling, complex geometries, and nearly constant axial force. These electromechanical trends ought to provide useful guidelines not only for additional theoretical investigations but also for forthcoming experiments on graphene spirals.

36 MATERIALS SCIENCE↗
DOE OSTI2014

Trade-offs in sensitivity and sampling depth in bimodal atomic force microscopy and comparison to the trimodal case

This paper presents experiments on Nafion ® proton exchange membranes and numerical simulations illustrating the trade-offs between the optimization of compositional contrast and the modulation of tip indentation depth in bimodal atomic force microscopy (AFM). We focus on the original bimodal AFM method, which uses amplitude modulation to acquire the topography through the first cantilever eigenmode, and drives a higher eigenmode in open-loop to perform compositional mapping. This method is attractive due to its relative simplicity, robustness and commercial availability. We show that this technique offers the capability to modulate tip indentation depth, in addition to providing sample topography and material property contrast, although there are important competing effects between the optimization of sensitivity and the control of indentation depth, both of which strongly influence the contrast quality. Furthermore, we demonstrate that the two eigenmodes can be highly coupled in practice, especially when highly repulsive imaging conditions are used. Finally, we also offer a comparison with a previously reported trimodal AFM method, where the above competing effects are minimized.

36 MATERIALS SCIENCE↗
DOE OSTI2012

A Reduced-Boundary-Function Method for Convective Heat Transfer With Axial Heat Conduction and Viscous Dissipation

We introduce a new method of solution for the convective heat transfer under forced laminar flow that is confined by two parallel plates with a distance of 2a or by a circular tube with a radius of a. The advection-conduction equation is first mapped onto the boundary. The original problem of solving the unknown field T(x,r,t) is reduced to seek the solutions of T at the boundary (r = a or r = 0, r is the distance from the centerline shown in Fig. 1), i.e., the boundary functions T{sub a}(x,t) {triple_bond} T(x,r=a,t) and/or T{sub 0}(x,t) {triple_bond} T(x,r=0,t). In this manner, the original problem is significantly simplified by reducing the problem dimensionality from 3 to 2. The unknown field T(x,r,t) can be eventually solved in terms of these boundary functions. The method is applied to the convective heat transfer with uniform wall temperature boundary condition and with heat exchange between flowing fluids and its surroundings that is relevant to the geothermal applications. Analytical solutions are presented and validated for the steady-state problem using the proposed method.

99 GENERAL AND MISCELLANEOUS↗
DOE OSTI2016

Bond breaking in epoxy systems: A combined QM/MM approach

A novel method to combine quantum mechanics (QM) and molecular mechanics has been developed to accurately and efficiently account for covalent bond breaking in polymer systems under high strain without the use of predetermined break locations. Use of this method will provide a better fundamental understanding of the mechano-chemical origins of fracture in thermosets. Since classical force fields cannot accurately account for bond breaking, and QM is too demanding to simulate large systems, a hybrid approach is required. In the method presented here, strain is applied to the system using a classical force field, and all bond lengths are monitored. When a bond is stretched past a threshold value, a zone surrounding the bond is used in a QM energy minimization to determine which, if any, bonds break. The QM results are then used to reconstitute the system to continue the classical simulation at progressively larger strain until another QM calculation is triggered. In this way, a QM calculation is only computed when and where needed, allowing for efficient simulations. A robust QM method for energy minimization has been determined, as well as appropriate values for the QM zone size and the threshold bond length. Compute times do not differ dramatically from classical molecular mechanical simulations.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2018

Modeling and Simulation of Deepwater Pipeline S-Lay With Coupled Dynamic Positioning

Dynamic position (DP) control and pipeline dynamics are the two main parts of the deepwater S-lay simulation model. In this study, a fully coupled analysis tool for deepwater S-lay deployment by dynamically positioned vessels is developed. The method integrates the major aspects related to numerical simulation, including coupled pipeline motion and roller contact forces. The roller–pipe interaction is incorporated in the S-lay pipeline model using a contact search method based on a lumped-mass (LM) formulation in global coordinates. A proportional-integration-differentiation (PID) controller and a Kalman filter are applied in the vessel motion equation to calculate the thrust allocation of the DP system in time domain. Numerical simulation results showed that the dynamic effects add a significant contribution to the tension, but have little influence on the maximum pipe stress and strain. The dynamic response of the coupled S-lay and DP pipeline deployment system increases the demand on the tensioner load carrying capability as well as the maximum DP thruster power.

Engineering↗
DOE OSTI2023

Physical Security Timeline Analysis in Support of Advanced Reactor Demonstration and Deployment

This report presents the regulatory requirements and directions on the physical security of advanced nuclear reactors in USA. Presently, a rule is being proposed that allows for a performance-based analysis. In determining the physical security requirements for an advanced reactor, new tools may be desired to conduct a performance-based analysis. These tools should incorporate dynamic analysis methods to provide as much realism as possible. In comparison, the security requirements for existing light water reactors (LWRs) are much more prescriptive and the analysis conducted to establish the required physical security strategies were more easily performed with static analysis. In order to achieve the cost goals that advanced reactors require for adoption; the nuclear security force required should not be excessive. Dynamic physical security analysis methods and tools have been developed by the US Department of Energy (DOE) Light Water Reactor Sustainability (LWRS) program. This report details how the dynamic risk analysis tools developed in the LWRS program using the dynamic risk modelling tool, EMRALD, may be adapted for use in analyzing the physical security designs for advanced reactors accounting for variable performance-based requirements. This report provides an example analysis of a hypothetical SFR using publicly available information and generic assumptions to demonstrate the methods and potential presentation and analysis of the results. No actual plant information is used in this example analysis. Future work in this area will create additional models that can be adapted for any advanced reactor concept and use various security features to create a physical security system that provides adequate protection from radiological theft and sabotage.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2014

Physical mechanisms of megahertz vibrations and nonlinear detection in ultrasonic force and related microscopies

Use of high frequency (HF) vibrations at MHz frequencies in Atomic Force Microscopy (AFM) advanced nanoscale property mapping to video rates, allowed use of cantilever dynamics for mapping nanomechanical properties of stiff materials, sensing μs time scale phenomena in nanostructures, and enabled detection of subsurface features with nanoscale resolution. All of these methods critically depend on the generally poor characterized HF behaviour of AFM cantilevers in contact with a studied sample, spatial and frequency response of piezotransducers, and transfer of ultrasonic vibrations between the probe and a specimen. Focusing particularly on Ultrasonic Force Microscopy (UFM), this work is also applicable to waveguide UFM, heterodyne force microscopy, and near-field holographic microscopy, all methods that exploit nonlinear tip-surface force interactions at high frequencies. Leveraging automated multidimensional measurements, spectroscopic UFM (sUFM) is introduced to investigate a range of common experimental parameters, including piezotransducer excitation frequency, probed position, ultrasonic amplitude, cantilever geometry, spring constant, and normal force. Consistent with studies of influence of each of these factors, the data-rich sUFM signatures allow efficient optimization of ultrasonic-AFM based measurements, leading to best practices recommendations of using longer cantilevers with lower fundamental resonance, while at the same time increasing the central frequency of HF piezo-actuators, and only comparing results within areas on the order of few μm{sup 2} unless calibrated directly or compared with in-the-imaged area standards. Diverse materials such as Si, Cr, and photoresist are specifically investigated. This work thereby provides essential insight into the reliable use of MHz vibrations with AFM and provides direct evidence substantiating phenomena such as sensitivity to adhesion, diminished friction for certain ultrasonic conditions, and the particular benefit of UFM and related methods for nanoscale mapping of stiff materials.

77 NANOSCIENCE AND NANOTECHNOLOGY↗