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At least 361 records · Page 20

Training models using forces computed by stochastic electronic structure methods

Abstract Quantum Monte Carlo (QMC) can play a very important role in generating accurate data needed for constructing potential energy surfaces. We argue that QMC has advantages in terms of a smaller systematic bias and an ability to cover phase space more completely. The stochastic noise can ease the training of the machine learning model. We discuss how stochastic errors affect the generation of effective models by analyzing the errors within a linear least squares procedure, finding that there is an advantage to having many relatively imprecise data points for constructing models. We then analyze the effect of noise on a model of many-body silicon finding that noise in some situations improves the resulting model. We then study the effect of QMC noise on two machine learning models of dense hydrogen used in a recent study of its phase diagram. The noise enables us to estimate the errors in the model. We conclude with a discussion of future research problems.

Ceperley, David M. (ORCID:0000000150826271)↗

Estimating surface temperature in forced convection nucleate boiling: A simplified method

During a test program to investigate low-cycle thermal fatigue, 21 of 22 cylindrical test sections of a cylindrical rocket thrust chamber were thermally cycled to failure. Cylinder liners were fabricated from OFHC copper, Amzirc, and NARloy-Z. The cylinders were fabricated by milling cooling channels into the liner and closing out the backside with electrodeposited copper. The tests were conducted at a chamber pressure of 4.14 MN/sq m (600 psia) and an oxidant-fuel ratio of 6.0 using hydrogen-oxygen as propellants. The average throat heat flux was 54 MW/sq m (33 Btu/sq in./sec). All of the failures were characterized by a thinning of the cooling channel wall and eventual failure by tensile rupture. The 1/2-hard Amzirc material showed little improvement in cyclic life when compared with OFHC copper; while the NARloy-Z and aged Amzirc materials had the best cyclic life characteristics. One OFHC copper cylinder was thermall cycled 2044 times at a steady-state hot-gas-side wall temperature of 514 K (925 R) without failing.

Hendricks, R. C.↗

Force Limits for Vibration Tests

The theoretical basis of force limited vibration testing is reviewed, the results of a frequency shift method of deriving force limits are presented, and two recent applications of the technique are described.

vibration↗

High-Order Finite-Difference Nonlinear Filter Methods for Subsonic Turbulence Simulation with Stochastic Forcing

Numerical stability of high-order filter schemes developed by Yee & Sjogreen is tested on three-dimensional turbulence simulations with stochastic forcing and their performance is compared with that of TVD and WENO schemes. The best­ performing filter method employs an eighth-order central base scheme with the Kennedy & Gruber skew-symmetric splitting of the inviscid flux derivative, a wavelet-based local flow sensor, a nonlinear filter utilizing the dissipative portion of seventh-order \VENO scheme, and an explicit third - or fourth-order Runge­-Kutta time integration. We show that the filter scheme is more computational]y efficient and provides a wider spectral bandwidth compared to the seventh-order WENO scheme. The method also demonstrates robust long-time integration for moderately compressible turbulence. In contrast, the fifth- and seventh­ order WENO schemes show non-trivial evolution of the velocity and density power spectra. over a. few dozen dynamical times, where both TVD and filter schemes recover a so lid statistically stationary turbulent state

Kritsuk, Alexei G.↗

The effects of forcing on a single stream shear layer and its parent boundary layer

Forcing and its effect on fluid flows has become an accepted tool in the study and control of flow systems. It has been used both as a diagnostic tool, to explore the development and interaction of coherent structures, and as a method of controlling the behavior of the flow. A number of forcing methods have been used in order to provide a perturbation to the flow; among these are the use of an oscillating trailing edge, acoustically driven slots, external acoustic forcing, and mechanical piston methods. The effect of a planar mechanical piston forcing on a single stream shear layer is presented; it can be noted that this is one of the lesser studied free shear layers. The single stream shear layer can be characterized by its primary flow velocity scale and the thickness of the separating boundary layer. The velocity scale is constant over the length of the flow field; theta (x) can be used as a width scale to characterize the unforced shear layer. In the case of the forced shear layer the velocity field is a function of phase time and definition of a width measure becomes somewhat problematic.

Haw, Richard C.↗

Forced Transition Techniques on HSCT Configurations

The objectives of this effort were to determine (if possible) the best method: 1) for forcing the boundary layer to transition, 2) for assessing trip effectiveness, 3) for quantifying trip drag, 4) for testing at Reynolds numbers per foot from 5 million to maximum available rather than I to 5 million, and 5) for boundary layer state determination.

Wahls, Richard A.↗

An improved Woodward's panel method for calculating leading-edge and side-edge suction forces at subsonic and supersonic speeds

Woodward's panel method for subsonic and supersonic flow was improved by employing control points determined by exactly matching two-dimensional pressure at a finite number of points. The results show great improvement in the predicted pressure distribution of a flapped airfoil. With the paneling scheme of cosine law in both chordwise and spanwise directions, the method is shown to accurately predict leading edge and side edge suction forces of various configurations in subsonic and supersonic flow.

Lan, C. E.↗

Hopkinson Bar Impact Force Measurement for Application to Development of an Artificial Bird

A test method has been published for measuring forces from bird cadavers and artificial birds to demonstrate equivalency to support the use of artificial birds in aircraft certification testing. The test method involves a large diameter Hopkinson bar as the technique for measuring and comparing forces. The method involves the assumption that a force on one end of the bar results in a one-dimensional plane wave that travels down the bar. To avoid reflected waves from the end of the bar overlapping the input pulse, and due to practical limitations on the length of the bar, strain transducers are located relatively close to the impacted face of the bar, raising questions about the validity of the assumption of one-dimensional wave propagation. In addition, the large diameter of the bar can introduce dispersion effects in the propagated pulse. These must be assessed to determine the impact on the accuracy of impact force measurements and, if significant, dispersion correction techniques must be used. In this study analytical, experimental, and computational methods are used to analyze the wave propagation characteristics for impact forces expected from realistic bird impacts. While wave dispersion and effects of non-concentric impacts are present, the resulting errors are relatively small. For the response we expect to see in bird impacts up to velocities of approximately 300 m/sec the large diameter Hopkinson bar test appears to be an acceptable method for measuring the impact forces and comparing the response of real and proposed artificial birds.

Birdstrike↗

A new algorithm for modeling friction in dynamic mechanical systems

A method of modeling friction forces that impede the motion of parts of dynamic mechanical systems is described. Conventional methods in which the friction effect is assumed a constant force, or torque, in a direction opposite to the relative motion, are applicable only to those cases where applied forces are large in comparison to the friction, and where there is little interest in system behavior close to the times of transitions through zero velocity. An algorithm is described that provides accurate determination of friction forces over a wide range of applied force and velocity conditions. The method avoids the simulation errors resulting from a finite integration interval used in connection with a conventional friction model, as is the case in many digital computer-based simulations. The algorithm incorporates a predictive calculation based on initial conditions of motion, externally applied forces, inertia, and integration step size. The predictive calculation in connection with an external integration process provides an accurate determination of both static and Coulomb friction forces and resulting motions in dynamic simulations. Accuracy of the results is improved over that obtained with conventional methods and a relatively large integration step size is permitted. A function block for incorporation in a specific simulation program is described. The general form of the algorithm facilitates implementation with various programming languages such as FORTRAN or C, as well as with other simulation programs.

Hill, R. E.↗

The Analysis and Support for LANL Technology Testbed: High Altitude Balloon Gondola and Orion Eagle Gamma Ray Detection Instrument

The Analysis and Support for LANL Technology Testbed: High Altitude Balloon Gondola and Orion Eagle Gamma-Ray Detection Instrument is a project where Los Alamos National Laboratory (LANL), in conjunction with the University of Michigan, are looking into gamma-ray detection in a space-like environment. The purpose of the detection is to work on instruments that can assist with planetary exploration and nuclear deterrents using a High-Altitude Balloon (HAB). For this paper, the main focus is on the mechanical aspects related to the structural analysis of the gondola. It is vital to understand the structural analysis because it helps determine if the gondola can survive the changes in the environment and the different forces or shocks that it will experience when the parachute is deployed and at landing. Additionally, NASA's Balloon Program Office (BPO) has specific requirements to meet to achieve flight certifications. Part of those certifications requires the gondola to simulate different scenarios at specific conditions with various forces applied and orientations. Therefore, it is necessary to adjust the calculations of each method and the force applied to get the right results. Once that is done, the information is inputted into the structural analysis modeling system. The system will aid the mechanical team in assessing the conditions of the gondola at each scenario and determine its margin of safety. After the gondola and instrument are certified, the payload will be able to fly. The HAB and payload are launched from NASA's Columbia Scientific Balloon Facility (CSBF) at Fort Sumner, NM. The official flight was on September 26th, 2021.

42 ENGINEERING↗

Comparison of Conventional and Constrained Variational Methods for Computing Large-Scale Budgets and Forcing Fields

Analyses of atmospheric heat and moisture budgets serve as an effective tool to study convective characteristics over a region and to provide large-scale forcing fields for various modeling applications. This paper examines two popular methods for computing large-scale atmospheric budgets: the conventional budget method (CBM) using objectively gridded analyses based primarily on radiosonde data and the constrained variational analysis (CVA) approach which supplements vertical profiles of atmospheric fields with measurements at the top of the atmosphere and at the surface to conserve mass, water, energy, and momentum. Successful budget computations are dependent on accurate sampling and analyses of the thermodynamic state of the atmosphere and the divergence field associated with convection and the large-scale circulation that influences it. Utilizing analyses generated from data taken during Dynamics of the Madden-Julian Oscillation (DYNAMO) field campaign conducted over the central Indian Ocean from October to December 2011, we evaluate the merits of these budget approaches and examine their limitations. While many of the shortcomings of the CBM, in particular effects of sampling errors in sounding data, are effectively minimized with CVA, accurate large-scale diagnostics in CVA are dependent on reliable background fields and rainfall constraints. Finally, for the DYNAMO analyses examined, the operational model fields used as the CVA background state provided wind fields that accurately resolved the vertical structure of convection in the vicinity of Gan Island. However, biases in the model thermodynamic fields were somewhat amplified in CVA resulting in a convective environment much weaker than observed.

54 ENVIRONMENTAL SCIENCES↗

Atomic Force Microscopy Measurement of the Resistivity of Semiconductors

The surface of silicon substrates has been studied experimentally and theoretically by the method of atomic force microscopy spreading resistance imaging, and measuring techniques for the spreading resistance of semiconductors have been developed based on these data. It has been shown that the resistivity of silicon can be determined reliably if the force with which the probe is pressed against the substrate exceeds some threshold. The influence of the environment on the values of currents in the probe–substrate system has been studied. It has been found that the electrical performance of semiconductors can be properly determined by atomic force microscopy spreading resistance imaging under high-vacuum conditions.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

A high-order computational framework for particle-resolved simulations of disperse multiphase flows

This work presents a high-order numerical approach for particle-resolved simulations of disperse multiphase flows, where the Navier-Stokes equations for fluid flow are solved using a high-order spectral element method in the Eulerian framework, and the particle phase is directly simulated with a discrete element method. The coupling between particles and fluids is explicitly handled using an adapted direct-forcing immersed boundary method. Unlike the conventional schemes, a high-order barycentric Lagrange interpolation method and a Gaussian projection kernel are used to ensure accurate momentum exchange between local boundary points and surrounding fluid nodes in the framework of high-order fluid solver. Benchmark tests of increasing complexity are conducted to demonstrate the accuracy and efficiency of our method. Here, it is found that our approach exhibits an excellent convergence performance, as the fluid element/grid is refined and the number of boundary points increases. Compared to conventional low-order methods, the proposed high-order framework enables the use of substantially larger fluid elements while maintaining high accuracy in modeling fluid-particle interactions, owing to the enhanced resolution of high-order basis functions. Moreover, since the primary unknowns are stored at element or grid nodes, the high-order approach offers improved efficiency in both CPU memory usage and total computational cost.

42 ENGINEERING↗

A Three-Dimensional Solution of Flows over Wings with Leading-Edge Vortex Separation. Part 1: Engineering Document

A method of predicting forces, moments, and detailed surface pressures on thin, sharp-edged wings with leading-edge vortex separation in incompressible flow is presented. The method employs an inviscid flow model in which the wing and the rolled-up vortex sheets are represented by piecewise, continuous quadratic doublet sheet distributions. The Kutta condition is imposed on all wing edges. Computed results are compared with experimental data and with the predictions of the leading-edge suction analogy for a selected number of wing planforms over a wide range of angle of attack. These comparisons show the method to be very promising, capable of producing not only force predictions, but also accurate predictions of detailed surface pressure distributions, loads, and moments.

Brune, G. W.↗

Faraday Forcing of High-Temperature Levitated Liquid Metal Drops for the Measurement of Surface Tension

In this work, a method for the measurement of surface tension using continuous periodic forcing is presented. To reduce gravitational effects, samples are electrostatically levitated prior to forcing. The method, called Faraday forcing, is particularly well suited for fluids that require high temperature measurements such as liquid metals where conventional surface tension measurement methods are not possible. It offers distinct advantages over the conventional pulse-decay analysis method when the sample viscosity is high or the levitation feedback control system is noisy. In the current method, levitated drops are continuously translated about a mean position at a small, constant forcing amplitude over a range of frequencies. At a particular frequency in this range, the drop suddenly enters a state of resonance, which is confirmed by large executions of prolate/oblate deformations about the mean spherical shape. The arrival at this resonant condition is a signature that the parametric forcing frequency is equal to the drop’s natural frequency, the latter being a known function of surface tension. A description of the experimental procedure is presented. A proof of concept is given using pure Zr and a Ti(sub 39.5)Zr(sub 39.5)Ni(sub 21) alloy as examples. The results compare favorably with accepted literature values obtained using the pulse-decay method.

Nevin Brosius↗

Cleanroom Contamination Identification Method Development

During fabrication, assembly, and testing of spacecraft and flight hardware it is vital to avoid contaminants that can cause degradation and could result in significant failure. Yet, there is no existing contamination monitoring method that provides the identity of airborne particles in a cleanroom facility. Knowing the particle identities, would allow scientists and engineers to determine the source of the contaminants and prevent setbacks before they occur or cause damage. Current cleanliness monitoring methods include airborne particle counters (APCs), fallout filters, and visual inspections. Particle counts from APCs are the primary metric used to define a cleanroom class and hence its level of cleanliness, but do not provide identification nor can they differentiate between large and small sizes of particles. In addition, using fallout filters is not a proactive, timely, or representative approach to cleanroom contamination monitoring because these samples are only retrieved after 30 days and are placed away from spacecraft processing to avoid interference with operations. In contrast, the forced air sampling method can collect a sample within an hour at any location required and provide results in less than a day. This system uses a cassette and filter sample medium to capture airborne particles which are then taken to a scanning electron microscope with energy dispersive spectroscopy (SEM/EDS) to identify and size the captured particles. Development of forced air sampling into an established laboratory capability will allow for fast sampling and routine identification of unknown contamination sources within the cleanroom. The test method development required market research for an air sampling cassette that increases sample collection efficiency and a filter with low enough background contamination to allow differentiation between a blank (control) and the collected sample. It was determined that a conductive black cassette and a polycarbonate filter were the best options. Conductive black cassettes, in comparison to the standard styrene, are manufactured using polypropylene filled with carbon. This makes the cassette conductive and minimizes the tendency of particles to stick to the wall of the cassette due to electrostatic force. In previous trials a mixed cellulose ester (MCE) filter was used to capture the contaminants, however the rougher surface of the filter contributed to entrapment of the particles within the filter structure and made it harder to identify the particles. In comparison, track etched polycarbonate filters have random cylindrical pores and a smooth surface which contributes to uniform sample distribution on the surface of the filter. Future work includes: testing the system using control samples to determine the efficiency and suitability of the medium, performing sample collection in various environments to establish ideal operating parameters and analyzing contaminant particles using SEM/EDS and assistant characterization techniques. Once fully developed, employing the forced air sampling method will help to prevent damage to spacecraft, avoid schedule delays, and allow for mission success.

Hernandez Melendez, Jailyn M.↗