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NASA NTRS1986

Smoothing and the second law

The technique of obtaining second order, oscillation free, total variation diminishing (TVD), scalar difference schemes by adding a limited diffusion flux (smoothing) to a second order centered scheme is explored. It is shown that such schemes do not always converge to the correct physical answer. The approach presented here is to construct schemes that numerically satisfy the second law of thermodynamics on a cell by cell basis. Such schemes can only converge to the correct physical solution and in some cases can be shown to be TVD. An explicit scheme with this property and second order spatial accuracy was found to have an extremely restrictive time step limitation (Delta t less than Delta x squared). Switching to an implicit scheme removed the time step limitation.

Merriam, Marshal L.↗

NASA NTRS1987

Smoothing and the second law

The technique of obtaining second-order oscillation-free total -variation-diminishing (TVD), scalar difference schemes by adding a limited diffusive flux ('smoothing') to a second-order centered scheme is explored. It is shown that such schemes do not always converge to the correct physical answer. The approach presented here is to construct schemes that numerically satisfy the second law of thermodynamics on a cell-by-cell basis. Such schemes can only converge to the correct physical solution and in some cases can be shown to be TVD. An explicit scheme with this property and second-order spatial accuracy was found to have extremely restrictive time-step limitation. Switching to an implicit scheme removed the time-step limitation.

Merriam, Marshal L.↗

DOE OSTI2017

Materials Study of NbN and Ta x N Thin Films for SNS Josephson Junctions

We investigated properties of NbN and Ta x N thin films grown at ambient temperatures on SiO 2 /Si substrates by reactive-pulsed laser deposition and reactive magnetron sputtering (MS) as a function of N 2 gas flow. Both techniques produced films with smooth surfaces, where the surface roughness did not depend on the N 2 gas flow during growth. High crystalline quality, (111) oriented NbN films with T c up to 11 K were produced by both techniques for N contents near 50%. The low temperature transport properties of the Ta x N films depended upon both the N 2 partial pressure used during growth and the film thickness. Furthermore, the root mean square surface roughness of Ta x N films grown by MS increased as the film thickness decreased down to 10 nm.

36 MATERIALS SCIENCE↗

NASA NTRS1973

Evaluation of Stress Corrosion Cracking Susceptibility Using Fracture Mechanics Techniques, Part 1

Stress corrosion cracking (SSC) tests were performed on 13 aluminum alloys, 13 precipitation hardening stainless steels, and two titanium 6Al-4V alloy forgings to compare fracture mechanics techniques with the conventional smooth specimen procedures. Commercially fabricated plate and rolled or forged bars 2 to 2.5-in. thick were tested. Exposures were conducted outdoors in a seacoast atmosphere and in an inland industrial atmosphere to relate the accelerated tests with service type environments. With the fracture mechanics technique tests were made chiefly on bolt loaded fatigue precracked compact tension specimens of the type used for plane-strain fracture toughness tests. Additional tests of the aluminum alloy were performed on ring loaded compact tension specimens and on bolt loaded double cantilever beams. For the smooth specimen procedure 0.125-in. dia. tensile specimens were loaded axially in constant deformation type frames. For both aluminum and steel alloys comparative SCC growth rates obtained from tests of precracked specimens provide an additional useful characterization of the SCC behavior of an alloy.

Sprowls, D. O.↗

DOE OSTI2020

Efficient smoothed particle radiation hydrodynamics I: Thermal radiative transfer

This work presents efficient solution techniques for radiative transfer in the smoothed particle hydrodynamics discretization. Two choices that impact efficiency are how the material and radiation energy are coupled, which determines the number of iterations needed to converge the emission source, and how the radiation diffusion equation is solved, which must be done in each iteration. The coupled material and radiation energy equations are solved using an inexact Newton iteration scheme based on nonlinear elimination, which reduces the number of Newton iterations needed to converge within each time step. During each Newton iteration, the radiation diffusion equation is solved using Krylov iterative methods with a multigrid preconditioner, which abstracts and optimizes much of the communication when running in parallel. The code is verified for an infinite medium problem, a one-dimensional Marshak wave, and a two and three-dimensional manufactured problem, and exhibits first-order convergence in time and second-order convergence in space. For these problems, the number of iterations needed to converge the inexact Newton scheme and the diffusion equation is independent of the number of spatial points and the number of processors.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

NASA NTRS1996

Statistical Technique for Intermediate and Long-Range Estimation of 13-Month Smoothed Solar Flux and Geomagnetic Index

This report documents the Marshall Space Flight Center (MSFC) 13-month smoothed solar flux (F(sub 10.7)) and geomagnetic index (A(sub p)) intermediate (months) and long-range (years) statistical estimation technique, referred to as the MSFC Lagrangian Linear Regression Technique (MLLRT). Estimates of future solar activity are needed as updated input to upper atmosphere density models used for satellite and spacecraft orbital lifetime predictions. An assessment of the MLLRT computer program's products is provided for 5-year periods from the date estimates were made. This was accomplished for a number of past solar cycles.

Niehuss, K. O.↗

NASA NTRS1985

Helicopter flight test demonstration of differential GPS

An off-line post-mission processing facility is being established by NASA Ames Research Center to analyze differential GPS flight tests. The current and future differential systems are described, comprising an airborne segment in an SH-3 helicopter, a GPS ground reference station, and a tracking system. The post-mission processing system provides for extensive measurement analysis and differential computation. Both differential range residual corrections and navigation corrections are possible. Some preliminary flight tests were conducted in a landing approach scenario and statically. Initial findings indicate the possible need for filter matching between airborne and ground systems (if used in a navigation correction technique), the advisability of correction smoothing before airborne incorporation, and the insensitivity of accuracy to either of the differential techniques or to update rates.

Denaro, R. P.↗

NASA NTRS1988

Solution of the Neumann pressure problem in general orthogonal coordinates using the multigrid technique

The multigrid (MG) technique has been advanced for use with Neumann boundary-value problems in clustered curvilinear orthogonal coordinates. This comprises an important step in the analysis of incompressible flow using the velocity-pressure formulation of the Navier-Stokes equations. The finite-difference representation of the problem and the formulation of the restriction and coarse-grid correction operators are examined in detail. Maintaining consistency between these and the integral constraint associated with the Neumann problem is found to be critical for the success of the MG technique. The influence of the smoothing operator is examined by employing Gauss-Seidel, alternating-direction implicit, and strongly implicit techniques. The MG procedure enhances the efficiency of fine-grid solutions of the Neumann problem by a factor of 3 to 14, depending on the type of smoothing operator employed and the values of the problem parameters.

Ghia, U.↗

DOE OSTI2013

Applications of Ensemble-based Data Assimilation Techniques for Aquifer Characterization using Tracer Data at Hanford 300 Area

Subsurface aquifer characterization often involves high parameter dimensionality and requires tremendous computational resources if employing a full Bayesian approach. Ensemble-based data assimilation techniques, including filtering and smoothing, are computationally efficient alternatives. Despite the increasing number of applications of ensemble-based methods in assimilating flow and transport related data for subsurface aquifer charaterization, most are limited to either synthetic studies or two-dimensional problems. In this study, we applied ensemble-based techniques for assimilating field tracer experimental data obtained from the Integrated Field Research Challenge (IFRC) site at the Hanford 300 Area. The forward problem was simulated using the massively-parallel three-dimensional flow and transport code PFLOTRAN to effectively deal with the highly transient flow boundary conditions at the site and to meet the computational demands of ensemble-based methods. This study demonstrates the effectiveness of ensemble-based methods for characterizing a heterogeneous aquifer by sequentially assimilating multiple types of data. The necessity of employing high performance computing is shown to enable increasingly mechanistic non-linear forward simulations to be performed within the data assimilation framework for a complex system with reasonable turnaround time.

data assimilation, ensemble kalman filter, inverse↗

NASA NTRS2004

Effect of Surface Treatments on Electron Beam Freeform Fabricated Aluminum Structures

Electron beam freeform fabrication (EBF3) parts exhibit a ridged surface finish typical of many layer-additive processes. This, post-processing is required to produce a net shape with a smooth surface finish. High speed milling wire electrical discharge machining (EDM), electron beam glazing, and glass bead blasting were performed on EBF3-build 2219 aluminum alloy parts to reduce or eliminate the ridged surface features. Surface roughness, surface residual stress state, and microstructural characteristics were examined for each of the different surface treatment to assess the quality and effect of the surface treatments on the underlying material. The analysis evaluated the effectivenes of the different surface finishing techniques for achieving a smooth surface finish on an electron beam freeform fabricated part.

Taminger, Karen M. B.↗

NASA NTRS1990

Cement line staining in undecalcified thin sections of cortical bone

A technique for demonstrating cement lines in thin, undecalcified, transverse sections of cortical bone has been developed. Cortical bone samples are processed and embedded undecalcified in methyl methacrylate plastic. After sectioning at 3-5 microns, cross-sections are transferred to a glass slide and flattened for 10 min. Sections of cortical bone are stained for 20 sec free-floating in a fresh solution of 1% toluidine blue dissolved in 0.1% formic acid. The section is dehydrated in t-butyl alcohol, cleared in xylene, and mounted with Eukitt's medium. Reversal lines appear as thin, scalloped, dark blue lines against a light blue matrix, whereas bone formation arrest lines are thicker with a smooth contour. With this technique cellular detail, osteoid differentiation, and fluorochrome labels are retained. Results demonstrate the applicability of a one-step staining method for cement lines which will facilitate the assessment of bone remodeling activity in thin sections of undecalcified cortical bone.

NASA Discipline Number 40-99↗

NASA NTRS1988

Recursive dynamics of topological trees of rigid bodies via Kalman filtering and Bryson-Frazier smoothing

The inverse and forward dynamics problems for a set of rigid bodies connected by hinges to form a topological tree are solved by using recursive techniques from linear filtering and smoothing theory. An inward filtering sequence computes a set of constraint moments and forces. This is followed by an outward sequence to determine a corresponding set of angular and linear accelerations. An inward sequence begins at the tips of all of the terminal bodies of the tree and proceeds inwardly through all of the branches until it reaches the root. Similarly, an outward sequence begins at the root and propagates to all of the tree branches until it reaches the tips of the terminal bodies. The paper also provides an approach to evaluate recursively the composite multibody system inertia matrix and its inverse.

Rodriguez, G.↗

DOE OSTI2018

Advanced Validation Risk-Informed Approach for the Flooding Tool Based Upon Smooth Particle Hydrodynamics: Validation and Development Status of NEUTRINO

Risk-Informed validation is to focus advanced validation on high-priority and critical elements of the RISMC methods and tools that can best be addressed by this targeted approach to validation. Initial validation focus will be on the RISMC flooding analysis computer software based upon Smoothed Particle Hydrodynamics (SPH), NEUTRINO. The NEUTRINO code is a SPH-based CFD software adopted as one of the RISMC modeling tools for external hazards analysis. This document discusses the validation and development activities of NEUTRINO, especially in relation to its simulation capability for flooding hazards analysis. In order to draw meaningful conclusions from the discussion, we first analyzed the potential risks to nuclear power plants in flooding scenarios (e.g., hazard modes, industry/regulatory concerns, etc.). Then, an initial high-level PIRT was proposed to define the key phenomena relevant to the analysis of flooding hazards. Finally, based on the framework of this PIRT analysis, the validation and development efforts that have been conducted to date for NEUTRINO were discussed. This analysis helped to determine the sufficiency, efficiency, and adequacy of the current code development and validation efforts for NEUTRINO.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

DOE OSTI2025

Finite element modeling of electropolishing of radio frequency dipole Nb crab cavity in hydrofluoric-sulfuric acid electrolyte

The superior performance of niobium superconducting radio frequency (SRF) cavities is achieved through meticulous surface treatment, notably via chemical electropolishing, ensuring exceptionally smooth surfaces. While this technique has been extensively employed for cylindrically symmetric structures, addressing more intricate geometries poses significant challenges in achieving uniform polishing and controlled material removal, especially when moving away from retractable cathodes. This presents a multifaceted electrochemical, thermal, and fluid dynamics conundrum. A prime example is the 197 MHz radio frequency dipole (RFD) crabbing cavity proposed for the Electron Ion Collider (EIC) project, exemplifying such complex structures. Our groundbreaking work integrates the localized oxide thickness variation, considering its impact on current distribution and Joule heating, within the framework of multi-physics modeling using the COMSOL® simulation suite. This approach was applied to a comprehensive model of the RFD cavity, allowing us to investigate optimal external cooling water flow conditions necessary for achieving desirable outcomes. In conclusion, this illustrates the increasing utility of such multi-physics codes to greatly aid in designing solutions to challenging processing requirements for increasingly complex accelerator cavities.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

DOE OSTI2013

Low-damage high-throughput grazing-angle sputter deposition on graphene

Despite the prevalence of sputter deposition in the microelectronics industry, it has seen very limited applications for graphene electronics. In this letter, we report systematic investigation of the sputtering induced damages in graphene and identify the energetic sputtering gas neutrals as the primary cause of graphene disorder. We further demonstrate a grazing-incidence sputtering configuration that strongly suppresses fast neutral bombardment and retains graphene structure integrity, creating considerably lower damage than electron-beam evaporation. Such sputtering technique yields fully covered, smooth thin dielectric films, highlighting its potential for contact metals, gate oxides, and tunnel barriers fabrication in graphene device applications.

36 MATERIALS SCIENCE↗

DOE OSTI2022

Modelling the Lyman-α forest with Eulerian and SPH hydrodynamical methods

ABSTRACT We compare two state-of-the-art numerical codes to study the overall accuracy in modelling the intergalactic medium and reproducing Lyman-α forest observables for DESI and high-resolution data sets. The codes employ different approaches to solving both gravity and modelling the gas hydrodynamics. The first code, Nyx, solves the Poisson equation using the Particle-Mesh (PM) method and the Euler equations using a finite-volume method. The second code, CRK-HACC , uses a Tree-PM method to solve for gravity, and an improved Lagrangian smoothed particle hydrodynamics (SPH) technique, where fluid elements are modelled with particles, to treat the intergalactic gas. We compare the convergence behaviour of the codes in flux statistics as well as the degree to which the codes agree in the converged limit. We find good agreement overall with differences being less than observational uncertainties, and a particularly notable ≲1 per cent agreement in the 1D flux power spectrum. This agreement was achieved by applying a tessellation methodology for reconstructing the density in CRK-HACC instead of using an SPH kernel as is standard practice. We show that use of the SPH kernel can lead to significant and unnecessary biases in flux statistics; this is especially prominent at high redshifts, z ∼ 5, as the Lyman-α forest mostly comes from lower-density regions that are intrinsically poorly sampled by SPH particles.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2023

On-Wafer Wide-Pore Anodic Aluminum Oxide

Anodized aluminum oxide (AAO) has been used as nanotemplates for nanomaterials and nanodevice fabrications. Microfabrication techniques are attracting attention for nanodevice synthesis. However, AAO requires a microfabrication-compatible substrate due to its brittleness. While there are studies that already show AAO on compatible substrates, the pore sizes may not be applicable for multicomponent nanodevices. In this study, wide pore AAOs with ohmic bottom contacts are fabricated on 76 mm Si wafers. Sputtering was used to deposit Al along with supporting layers to achieve this goal. A quiescent electropolishing technique was used to smooth the surface of Al. Standard photolithography was used to define the active area on the Al for anodization. Then 195 V two-step anodization was performed to fabricate wide pore AAOs with pore diameters ranging from 130 ± 32 nm to 400 ± 31 nm with interpore distance of 480 ± 47 nm. Furthermore, it also showed that the ordering of the pores depended on the current density over the more conventional anodization time.

25 ENERGY STORAGE↗

DOE OSTI2017

Standard Galactic Field RR Lyrae. I. Optical to Mid-infrared Phased Photometry

We present a multi-wavelength compilation of new and previously published photometry for 55 Galactic field RR Lyrae variables. Individual studies, spanning a time baseline of up to 30 years, are self-consistently phased to produce light curves in 10 photometric bands covering the wavelength range from 0.4 to 4.5 microns. Data smoothing via the GLOESS technique is described and applied to generate high-fidelity light curves, from which mean magnitudes, amplitudes, rise times, and times of minimum and maximum light are derived. 60,000 observations were acquired using the new robotic Three-hundred MilliMeter Telescope (TMMT), which was first deployed at the Carnegie Observatories in Pasadena, CA, and is now permanently installed and operating at Las Campanas Observatory in Chile. We provide a full description of the TMMT hardware, software, and data reduction pipeline. Archival photometry contributed approximately 31,000 observations. Photometric data are given in the standard Johnson UBV, Kron–Cousins R{sub C}I{sub C}, 2MASS JHK, and Spitzer [3.6] and [4.5] bandpasses.

79 ASTRONOMY AND ASTROPHYSICS↗