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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 19 records
All sourcesNASA NTRSDOE OSTI
DOE OSTI2019

The Shifted Interface Method: A flexible approach to embedded interface computations

We propose a new embedded finite element method to simulate partial differential equations over domains with internal interfaces. Our approach belongs to the family of surrogate/approximate interface methods and relies on the idea of shifting the location and value of jump interface conditions. This choice has the goal of preserving optimal convergence rates while avoiding small cut cells and related problematic issues, typical of traditional embedded methods. The proposed approach is accurate, robust, efficient, and simple to implement. We apply this concept to internal interface computations in the context of the mixed Poisson problem, also known as the Darcy flow problem. An extensive set of numerical tests is provided to demonstrate the performance of the proposed approach.

42 ENGINEERING↗
DOE OSTI2023

A high order Cartesian grid, finite volume method for elliptic interface problems

We present a higher-order finite volume method for solving elliptic PDEs with jump conditions on interfaces embedded in a 2D Cartesian grid. Second, fourth, and sixth order accuracy is demonstrated on a variety of tests including problems with high-contrast and spatially varying coefficients, large discontinuities in the source term, and complex interface geometries. We include a generalized truncation error analysis based on cell-centered Taylor series expansions, which then define stencils in terms of local discrete solution data and geometric information. In the process, we develop a simple method based on Green's theorem for computing exact geometric moments directly from an implicit function definition of the embedded interface. This approach produces stencils with a simple bilinear representation, where spatially-varying coefficients and jump conditions can be easily included and finite volume conservation can be enforced.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2024

Embedding Reverse Electron Transfer Between Stably Bare Cu Nanoparticles and Cation‐Vacancy CuWO 4

Cu nanoparticles (NPs) have attracted widespread attention in electronics, energy, and catalysis. However, conventionally synthesized Cu NPs face some challenges such as surface passivation and agglomeration in applications, which impairs their functionalities in the physicochemical properties. Here, the issues above by engineering an embedded interface of stably bare Cu NPs on the cation-vacancy CuWO 4 support is addressed, which induces the strong metal-support interactions and reverse electron transfer. Various atomic-scale analyses directly demonstrate the unique electronic structure of the embedded Cu NPs with negative charge and anion oxygen protective layer, which mitigates the typical degradation pathways such as oxidation in ambient air, high-temperature agglomeration, and CO poisoning adsorption. Kinetics and in situ spectroscopic studies unveil that the embedded electron-enriched Cu NPs follow the typical Eley-Rideal mechanism in CO oxidation, contrasting the Langmuir-Hinshelwood mechanism on the traditional Cu NPs. This mechanistic shift is driven by the Coulombic repulsion in anion oxygen layer, enabling its direct reaction with gaseous CO to form the easily desorbed monodentate carbonate.

Cu nanoparticles↗
DOE OSTI2020

A transmission electron microscopy study of dislocation propagation and filtering in highly mismatched GaSb/GaAs heteroepitaxy

Monolithic integration of lattice-mismatched semiconductor materials opens up access to a wide range of bandgaps and new device functionalities. However, it is inevitably accompanied by defect formation. A thorough analysis of how these defects propagate and interact with interfaces is critical to understanding their effects on device parameters. In this study, we present a comprehensive study of dislocation networks in the GaSb/GaAs heteroepitaxial system using transmission electron microscopy (TEM). Specifically, the sample analyzed is a GaSb film grown on GaAs using dislocation–reduction strategies such as interfacial misfit array formation and introduction of a dislocation filtering layer. Using various TEM techniques, it is shown that such an analysis can reveal important information on the dislocation behavior including filtering mechanism, types of dislocation reactions, and other interactions with interfaces. A novel method that enables plan-view imaging of deeply embedded interfaces using TEM and a demonstration of independent imaging of different dislocation types are also presented. While clearly effective in characterizing dislocation behavior in GaSb/GaAs, we believe that the methods outlined in this article can be extended to study other heteroepitaxial material systems.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Smoothed boundary method for simulating incompressible flow in complex geometries

Simulating flow through porous media with explicit considerations of complex microstructures is very challenging using conventional sharp-interface methods because of the difficulties in generating meshes conformal to complex geometries. In this work, a diffuse interface embedded boundary method known as the Smoothed Boundary Method (SBM) is utilized to facilitate simulations of fluid dynamics involving complex geometries. In diffuse-interface methods, the geometry is described by a domain parameter. The SBM allows the straightforward reformulation of the time-dependent Navier-Stokes equations in terms of this domain parameter, using only algebraic identities. Thus, enforcing the appropriate boundary conditions at the irregular embedded boundary is greatly simplified. Adaptive mesh refinement is used to increase the accuracy of the diffuse interface method by allowing thinner interfacial thickness to be used in the domain parameter. Here, the SBM-formulated Navier-Stokes equations are solved with the Finite Difference Method on refined mesh systems. Sharp-interface Finite Element Method simulations using the commercial software COMSOL on body-conforming meshes are also provided for comparison. Favorable agreement between the two methods is observed. Since it is no longer necessary for the mesh to conform to the complex geometry, the grid system for the SBM simulations can be generated rapidly and without additional manual interventions, making the entire simulation process more expedient.

36 MATERIALS SCIENCE↗
DOE OSTI2019

Interaction of a normally-incident plane wave with a nonlinear poroelastic fracture

While it has been recognized that a large amplitude incident wave upon a dry fracture can exhibit nonlinear seismic wave scattering due to its stress-dependent mechanical compliance, the impact of pore fluid in the fracture and a fluid-filled poroelastic background medium—features common for fractures in the Earth—are not well understood. As a first step toward an understanding of the nonlinear poroelastic response of elastic waves in fractured media, analytical approximate formulas are used for the amplitude and phase of a normally incident plane wave using a perturbation method, assuming a fluid-filled, highly compliant nonlinear interface embedded in a linear poroelastic solid. The stress-closure behavior of the fracture is modeled by nonlinear, poroelastic displacement-discontinuity boundary conditions (a linear–slip interface). The theory predicts that the static (“Direct current,” or DC) and higher-order-harmonic waves produced by the nonlinear scattering can be greatly reduced by the presence of fluid in the fracture. This, however, depends upon a number of parameters, including fracture compliance, fluid properties (compressibility and viscosity), and the permeability of the background medium, as well as environmental parameters such as the initial fluid pressure and stress acting on the fracture. The static effect produces low-frequency fluid pressure pulses when a finite-duration wave is incident upon the fracture—behavior unique to fluid-filled fractures within a poroelastic medium.

58 GEOSCIENCES↗
NASA NTRS1995

How far away is plug 'n' play? Assessing the near-term potential of sonification and auditory display

The commercial music industry offers a broad range of plug 'n' play hardware and software scaled to music professionals and scaled to a broad consumer market. The principles of sound synthesis utilized in these products are relevant to application in virtual environments (VE). However, the closed architectures used in commercial music synthesizers are prohibitive to low-level control during real-time rendering, and the algorithms and sounds themselves are not standardized from product to product. To bring sound into VE requires a new generation of open architectures designed for human-controlled performance from interfaces embedded in immersive environments. This presentation addresses the state of the sonic arts in scientific computing and VE, analyzes research challenges facing sound computation, and offers suggestions regarding tools we might expect to become available during the next few years. A list of classes of audio functionality in VE includes sonification -- the use of sound to represent data from numerical models; 3D auditory display (spatialization and localization, also called externalization); navigation cues for positional orientation and for finding items or regions inside large spaces; voice recognition for controlling the computer; external communications between users in different spaces; and feedback to the user concerning his own actions or the state of the application interface. To effectively convey this considerable variety of signals, we apply principles of acoustic design to ensure the messages are neither confusing nor competing. We approach the design of auditory experience through a comprehensive structure for messages, and message interplay we refer to as an Automated Sound Environment. Our research addresses real-time sound synthesis, real-time signal processing and localization, interactive control of high-dimensional systems, and synchronization of sound and graphics.

Bargar, Robin↗
DOE OSTI2021

On the Origin of Sinter‐Resistance and Catalyst Accessibility in Raspberry‐Colloid‐Templated Catalyst Design

Abstract Nanoparticle (NP) sintering is a major cause of the deactivation of supported catalysts. Raspberry‐colloid‐templated (RCT) catalysts are an emerging class of materials that show an unprecedented level of sinter‐resistance and exhibit high catalytic activity. Here a comprehensive study of the origin of NP stability and accessibility in RCT catalysts using theoretical modeling, 3D electron microscopy, and epitaxial overgrowth is reported. The approach is showcased for silica‐based RCT catalysts containing dilute Pd‐in‐Au NPs previously used in hydrogenation and oxidation catalysis. Modeling of the contact line of the silica precursor infiltrating into the assembled raspberry colloids suggests that a large part of the particles must be embedded into silica, which is confirmed by quantitative visualization of >200 individual NPs by dual‐axis electron tomography. The RCT catalysts have a unique structure in which all NPs reside at the pore wall but have >50% of their surface embedded in the matrix, giving rise to the strongly enhanced thermal and mechanical stability. Importantly, epitaxial overgrowth of Ag on the supported NPs reveals that not only the NP surface exposed to the pore but the embedded interface as well remained chemically accessible. This mechanistic understanding provides valuable guidance in the design of stable catalytic materials.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

Coexistence of vitreous and crystalline phases of H 2 O at ambient temperature

Formation of vitreous ice during rapid compression of water at room temperature is important for biology and the study of biological systems. Here, we show that Raman spectra of rapidly compressed water at greater than 1 GPa at room temperature exhibits the signature of high-density amorphous ice, whereas the X-ray diffraction (XRD) pattern is dominated by crystalline ice VI. To resolve this apparent contradiction, we used molecular dynamics simulations to calculate full vibrational spectra and diffraction patterns of mixtures of vitreous ice and ice VI, including embedded interfaces between the two phases. We show quantitatively that Raman spectra, which probe the local polarizability with respect to atomic displacements, are dominated by the vitreous phase, whereas a small amount of the crystalline component is readily apparent by XRD. The results of our combined experimental and theoretical studies have implications for detecting vitreous phases of water, survival of biological systems under extreme conditions, and biological imaging. The results provide additional insight into the stable and metastable phases of H 2 O as a function of pressure and temperature, as well as of other materials undergoing pressure-induced amorphization and other metastable transitions.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1993

Design of a cooperative problem-solving system for enroute flight planning: An empirical study of its use by airline dispatchers

In a previous report, an empirical study of 30 pilots using the Flight Planning Testbed was reported. An identical experiment using the Flight Planning Testbed (FPT), except that 27 airline dispatchers were studied, is described. Five general questions were addressed in this study: (1) under what circumstances do the introduction of computer-generated suggestions (flight plans) influence the planning behavior of dispatchers (either in a beneficial or adverse manner); (2) what is the nature of such influences (i.e., how are the person's cognitive processes changed); (3) how beneficial are the general design concepts underlying FPT (use of a graphical interface, embedding graphics in a spreadsheet, etc.); (4) how effective are the specific implementation decisions made in realizing these general design concepts; and (5) how effectively do dispatchers evaluate situations requiring replanning, and how effectively do they identify appropriate solutions to these situations.

Smith, Philip J.↗
NASA NTRS1993

Man-machine cooperation in advanced teleoperation

Teleoperation experiments at JPL have shown that advanced features in a telerobotic system are a necessary condition for good results, but that they are not sufficient to assure consistently good performance by the operators. Two or three operators are normally used during training and experiments to maintain the desired performance. An alternative to this multi-operator control station is a man-machine interface embedding computer programs that can perform some of the operator's functions. In this paper we present our first experiments with these concepts, in which we focused on the areas of real-time task monitoring and interactive path planning. In the first case, when performing a known task, the operator has an automatic aid for setting control parameters and camera views. In the second case, an interactive path planner will rank different path alternatives so that the operator will make the correct control decision. The monitoring function has been implemented with a neural network doing the real-time task segmentation. The interactive path planner was implemented for redundant manipulators to specify arm configurations across the desired path and satisfy geometric, task, and performance constraints.

Fiorini, Paolo↗
NASA NTRS2014

Developing an Integration Infrastructure for Distributed Engine Control Technologies

Turbine engine control technology is poised to make the first revolutionary leap forward since the advent of full authority digital engine control in the mid-1980s. This change aims squarely at overcoming the physical constraints that have historically limited control system hardware on aero-engines to a federated architecture. Distributed control architecture allows complex analog interfaces existing between system elements and the control unit to be replaced by standardized digital interfaces. Embedded processing, enabled by high temperature electronics, provides for digitization of signals at the source and network communications resulting in a modular system at the hardware level. While this scheme simplifies the physical integration of the system, its complexity appears in other ways. In fact, integration now becomes a shared responsibility among suppliers and system integrators. While these are the most obvious changes, there are additional concerns about performance, reliability, and failure modes due to distributed architecture that warrant detailed study. This paper describes the development of a new facility intended to address the many challenges of the underlying technologies of distributed control. The facility is capable of performing both simulation and hardware studies ranging from component to system level complexity. Its modular and hierarchical structure allows the user to focus their interaction on specific areas of interest.

distributed control↗
NASA NTRS2015

Representing Matrix Cracks Through Decomposition of the Deformation Gradient Tensor in Continuum Damage Mechanics Methods

A method is presented to represent the large-deformation kinematics of intraply matrix cracks and delaminations in continuum damage mechanics (CDM) constitutive material models. The method involves the additive decomposition of the deformation gradient tensor into 'crack' and 'bulk material' components. The response of the intact bulk material is represented by a reduced deformation gradient tensor, and the opening of an embedded cohesive interface is represented by a normalized cohesive displacement-jump vector. The rotation of the embedded interface is tracked as the material deforms and as the crack opens. The distribution of the total local deformation between the bulk material and the cohesive interface components is determined by minimizing the difference between the cohesive stress and the bulk material stress projected onto the cohesive interface. The improvements to the accuracy of CDM models that incorporate the presented method over existing approaches are demonstrated for a single element subjected to simple shear deformation and for a finite element model of a unidirectional open-hole tension specimen. The material model is implemented as a VUMAT user subroutine for the Abaqus/Explicit finite element software. The presented deformation gradient decomposition method reduces the artificial load transfer across matrix cracks subjected to large shearing deformations, and avoids the spurious secondary failure modes that often occur in analyses based on conventional progressive damage models.

Leone, Frank A., Jr.↗
NASA NTRS1986

Embedded mesh solution of the 2-D Euler equations - Evaluation of interface formulations

Solution of the steady 2-D Euler equations using mesh embedding, or local grid refinement, with a cell-centered finite volume scheme is investigated. Embedded regions which are topologically similar to the global grid are considered. An isoenergetic model for the governing equations is used in Jameson's finite volume multistage scheme with modifications to the boundary conditions and smoothing. A detailed study of the embedding interface flux and smoothing formulations is conducted. Taylor expansion analysis reveals that local second order spatial accuracy is not possible if a conservative interface flux formulation is used. The analysis also gives constraints for local first order accuracy. An energy stability analysis indicates that downwind weighting of interface fluxes causes local instabilities. Analysis shows that conservative interface smoothing formulations must have a locally convective component, but that correct interface formulations allow globally dissipative smoothing. Embedded mesh solutions obtained with this scheme are presented for a transonic airfoil. They show that if embedding interfaces are close to the shocks, then small modifications in the interface location can have large effects on converge and solution accuracy.

Allmaras, S. R.↗
NASA NTRS2002

Embedded Web Technology: Applying World Wide Web Standards to Embedded Systems

Embedded Systems have traditionally been developed in a highly customized manner. The user interface hardware and software along with the interface to the embedded system are typically unique to the system for which they are built, resulting in extra cost to the system in terms of development time and maintenance effort. World Wide Web standards have been developed in the passed ten years with the goal of allowing servers and clients to intemperate seamlessly. The client and server systems can consist of differing hardware and software platforms but the World Wide Web standards allow them to interface without knowing about the details of system at the other end of the interface. Embedded Web Technology is the merging of Embedded Systems with the World Wide Web. Embedded Web Technology decreases the cost of developing and maintaining the user interface by allowing the user to interface to the embedded system through a web browser running on a standard personal computer. Embedded Web Technology can also be used to simplify an Embedded System's internal network.

Ponyik, Joseph G.↗
NASA NTRS1991

Disordering and H-embrittlement of Pb(110) surface using embedded atom method and molecular dynamics

The dynamics and structure of the crystal melt interface are of great importance in crystal growth, melting, and other properties of the solid-liquid interface. The Embedded Atom Method (EAM), a semiempirical method developed by Daw and Baskes for determining the energetics of atoms in a bulk environment, is a useful method in the computer simulation. The EAM functions of PB in conjunction with the MD code are employed to study melting and disordering of the Pb(100) surface. The EAM functions are fitted to the bulk experimental data at zero temperature, and it is not clear if it will behave correctly at higher temperatures. In fact, it is shown that use of a similar type of potential at higher temperatures might result in a negative coefficient of thermal expansion. The primary purpose here is to perform MD simulation combined with the EAM functions of PB to study melting of the Pb(100) surface. This provides an accurate test of the EAM functions at higher temperatures. In particular, we calculate the two dimensional structure factor, the two dimensional distribution function, and density profile as a function of temperature up to the melting point of lead.

Karimi, Majid↗
DOE OSTI2026

PowerAnalytics.jl: User-Centric Power Systems Analysis in Julia

The National Laboratory of the Rockies recently released version 1 of PowerAnalytics.jl, an analysis module for the outputs of its popular open-source electrical power systems modeling platform Sienna. It features an extensible framework - based on the flexible selecting of components, the execution of arbitrary metrics on them, and a familiar DataFrames-based output interface with embedded metadata - to process results in the Sienna style while keeping the interface as simple as possible for non-Julia experts. Here, I describe the package and where it fits into the Sienna ecosystem, how I harnessed user-centered design and Julia features to achieve beginner friendliness without sacrificing performance and expressibility, and what lessons might be drawn from the package's design and implementation.

97 MATHEMATICS AND COMPUTING↗