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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 145 records · Page 8
All sourcesNASA NTRSDOE OSTI
NASA NTRS2003

Finite-Element Methods for Real-Time Simulation of Surgery

Two finite-element methods have been developed for mathematical modeling of the time-dependent behaviors of deformable objects and, more specifically, the mechanical responses of soft tissues and organs in contact with surgical tools. These methods may afford the computational efficiency needed to satisfy the requirement to obtain computational results in real time for simulating surgical procedures as described in Simulation System for Training in Laparoscopic Surgery (NPO-21192) on page 31 in this issue of NASA Tech Briefs. Simulation of the behavior of soft tissue in real time is a challenging problem because of the complexity of soft-tissue mechanics. The responses of soft tissues are characterized by nonlinearities and by spatial inhomogeneities and rate and time dependences of material properties. Finite-element methods seem promising for integrating these characteristics of tissues into computational models of organs, but they demand much central-processing-unit (CPU) time and memory, and the demand increases with the number of nodes and degrees of freedom in a given finite-element model. Hence, as finite-element models become more realistic, it becomes more difficult to compute solutions in real time. In both of the present methods, one uses approximate mathematical models trading some accuracy for computational efficiency and thereby increasing the feasibility of attaining real-time up36 NASA Tech Briefs, October 2003 date rates. The first of these methods is based on modal analysis. In this method, one reduces the number of differential equations by selecting only the most significant vibration modes of an object (typically, a suitable number of the lowest-frequency modes) for computing deformations of the object in response to applied forces.

Basdogan, Cagatay↗
NASA NTRS1978

Interactive data line study and experiment

The paper considers the utility of having remote terminals on a Landsat image processing system and the development of efficient data transfer strategies such as data compression. The approach is to link an image processing terminal (located in a mobile van) to a multiuser host computer via the Communications Technology Satellite and a leased phone line. The host computer will share time between the remote state users and local users. The terminal includes a minicomputer, a color video display, and a communications interface, and the user has access to all of the resources of the host facility via the data link. While at present the terminal acts in the display-only mode, the computing capability of the terminal can be varied from display-only up to a stand-alone image processing system. An analysis of trade-offs between data link and remote terminal capacities is described with attention to the evaluation of the system by state users and the selection of a system architecture suitable to unique needs.

Rasmussen, D. N.↗
NASA NTRS1987

Model-size reduction for the analysis of symmetric structures with asymmetric boundary conditions

A simple computational procedure is presented for reducing the size of the analysis model for a symmetric structure with asymmetric boundary conditions to that of the corresponding structure with symmetric boundary conditions. The procedure is based on approximating the asymmetric response of the structure by a linear combination of symmetric and antisymmetric global approximation vectors (or modes). The key elements of the procedure are (1) restructuring the governing finite-element equations to delineate the contributions to the symmetric and antisymmetric components of the asymmetric response, (2) successive application of the finite element method and the classical Rayleigh-Ritz technique. The finite-element method is first used to generate a few global approximation vectors (or modes). Then the amplitudes of these modes are computed by using the Rayleigh-Ritz technique. The effectiveness of the computational procedure is demonstrated by means of numerical examples of linear static problems of shells, and its potential for solving nonlinear problems is discussed.

Noor, Ahmed K.↗
NASA NTRS1993

Controllability and observability measures for Craig-Bampton substructure representations

Measures of controllability and observability are derived for a Craig-Bampton substructure representation for which fixed interface modes and constraint modes are computed relative to control actuator locations. The measures facilitate modal ordering and act as an index of dynamic completeness for modal truncation. Example problems are given to demonstrate that the controllable and observable reduced substructure models have a greater accuracy in predicting closed loop pole locations, transfer functions and actuation commands than conventional normal mode models.

Triller, Michael J.↗
NASA NTRS2019

Challenges in Qualification of Thermal Protection Systems in Extreme Entry Environments

Planetary entry vehicles employ ablative TPS materials to shield the aeroshell from entry aeroheating environments. To ensure mission success, it must be demonstrated that the heat shield system, including local features such as seams, does not fail at conditions that are suitably margined beyond those expected in flight. Furthermore, its thermal response must be predictable, with acceptable fidelity, by computational tools used in heat shield design. Mission assurance is accomplished through a combination of ground testing and material response modelling. A material's robustness to failure is verified through arcjet testing while its thermal response is predicted by analytical tools that are verified against experimental data. Due to limitations in flight-like ground testing capability and lack of validated high-fidelity computational models, qualification of heat shield materials is often achieved by piecing together evidence from multiple ground tests and analytical simulations, none of which fully bound the flight conditions and vehicle configuration. Extreme heating environments (>2000 W/sq. cm heat flux and >2 atm pressure), experienced during entries at Venus, Saturn and Ice Giants, further stretch the current testing and modelling capabilities for applicable TPS materials. Fully-dense Carbon Phenolic was the material of choice for these applications; however, since heritage raw materials are no longer available, future uses of re-created Carbon Phenolic will require re-qualification. To address this sustainability challenge, NASA is developing a new dual-layer material based on 3D weaving technology called Heat shield for Extreme Entry Environments (HEEET). Regardless of TPS material, extreme environments pose additional certification challenges beyond what has been typical in recent NASA missions. Scope of this presentation: This presentation will give an overview of challenges faced in verifying TPS performance at extreme heating conditions. Examples include: (1) Bounding aeroheating parameters (heat flux, pressure, shear and enthalpy) in ground facilities. How to certify TPS if environments can't be bounded or aeroheating parameters can't be simultaneously achieved. (2) Higher uncertainties in ground test environments (facility calibration and analytical predictions) at extreme conditions. (3) Testing in flows similar to planetary atmosphere composition (H2/He for Gas and Ice Giants). (4) Test sample size limitations for qualifying seam designs. (5) Lack of computational tools capable of simulating all significant aspects of TPS performance (including initiation and propagation of failures). This presentation will provide recommendations on how the EDL community can address these challenges and mitigate some of the risks involved in flying TPS materials at extreme conditions. Examples include: (1) Dedicated activity to understanding TPS failure modes. Develop computational tools capable of modelling fluid interaction with material's thermostructural response. Validate these tools through failure testing. A better understanding of failure mechanisms may eliminate the need to fully bound all aeroheating parameters in ground testing. (2) Enhancements to current testing facilities to simulate flight-like ablation mechanism (ex. testing in Nitrogen at Ames Interaction Heating Facility to limit oxidation in favor of more sublimation). (3) Improved characterization of test conditions with new diagnostic methods and determination of environment uncertainty through rigorous statistical analysis of available data. (4) Design margin policies that are directly tied to uncertainties in ground test environments and modelling fidelity

Mahzari, Milad↗
NASA NTRS1981

The Remote Analysis Station (RAS) as an instructional system

"Hands-on" training in LANDSAT data analysis techniques can be obtained using a desk-top, interactive remote analysis station (RAS) which consists of a color CRT imagery display, with alphanumeric overwrite and keyboard, as well as a cursor controller and modem. This portable station can communicate via modem and dial-up telephone with a host computer at 1200 baud or it can be hardwired to a host computer at 9600 baud. A Z80 microcomputer controls the display refresh memory and remote station processing. LANDSAT data is displayed as three-band false-color imagery, one-band color-sliced imagery, or color-coded processed imagery. Although the display memory routinely operates at 256 x 256 picture elements, a display resolution of 128 x 128 can be selected to fill the display faster. In the false color mode the computer packs the data into one 8-bit character. When the host is not sending pictorial information the characters sent are in ordinary ASCII code. System capabilities are described.

Rogers, R. H.↗
NASA NTRS1985

Model-size reduction technique for the analysis of symmetric anisotropic structures

A two-step computational procedure is presented for reducing the size of the analysis model for an anisotropic symmetric structure to that of the corresponding orthotropic structure. The key elements of the procedure are: (1) decomposition of the stiffness matrix into the sum of an orthotropic and nonorthotropic (anisotropic) parts; and (2) successive application of the finite element method and the classical Rayleigh-Ritz technique. The finite element method is first used to generate few global approximation vectors (or modes). Then the amplitudes of these modes are computed by using the Rayleigh-Ritz technique. The global approximation vectors are selected to be the solution corresponding to zero nonorthotropic matrix and its various-order derivatives with respect to an anisotropic tracing parameter (identifying the nonorthotropic material coefficients). The size of the analysis model used in generating the global approximation vectors is identical to that of the corresponding orthotropic structure. The effectiveness of the proposed technique is demonstrated by means of numerical examples and its potential for solving other quasi-symmetric problems is discussed.

Noor, A. K.↗
NASA NTRS1989

Exploiting symmetries in the modeling and analysis of tires

A computational procedure is presented for reducing the size of the analysis models of tires having unsymmetric material, geometry and/or loading. The two key elements of the procedure when applied to anisotropic tires are: (1) decomposition of the stiffness matrix into the sum of an orthotropic and nonorthotropic parts; and (2) successive application of the finite-element method and the classical Rayleigh-Ritz technique. The finite-element method is first used to generate few global approximation vectors (or modes). Then the amplitudes of these modes are computed by using the Rayleigh-Ritz technique. The proposed technique has high potential for handling practical tire problems with anisotropic materials, unsymmetric imperfections and asymmetric loading. It is also particularly useful for use with three-dimensional finite-element models of tires.

Noor, Ahmed K.↗
NASA NTRS1990

Mixed-Mode Bending Method for Delamination Testing

A mixed mode delamination test procedure was developed combining double cantilever beam (DCB) mode I loading and end-notch fixture (ENF) mode II loading on a split unidirectional laminate. By loading with a lever, a single applied load simultaneously produces mode I and mode II bending loads on the specimen. This mixed-mode bending (MMB) test was analyzed using both finite-element procedures and beam theory to calculate the mode I and mode II components of strain-energy release rate G(sub I) and G(sub II), respectively. A wide range of G(sub I)/G(sub II) ratios can be produced by varying the load position on the lever. As the delamination extended, the G(sub I)/G(sub II) ratios varied by less than 5%. Beam theory equations agreed closely with the finite-element results and provide a basis for selection of G(sub I)/G(sub II) test ratios and a basis for computing the mode I and mode II components of measured delamination toughness. The MMB test was demonstrated using AS4/PEEK (APC2) unidirectional laminates. The MMB test introduced in this paper is rather simple and is believed to offer several advantages over most current mixed-mode test.

Reeder, James R.↗
NASA NTRS1975

Digital computer program DF1758 fully coupled natural frequencies and mode shapes of a helicopter rotor blade

The analytical techniques and computer program developed in the fully-coupled rotor vibration study are described. The rotor blade natural frequency and mode shape analysis was implemented in a digital computer program designated DF1758. The program computes collective, cyclic, and scissor modes for a single blade within a specified range of frequency for specified values of rotor RPM and collective angle. The analysis includes effects of blade twist, cg offset from reference axis, and shear center offset from reference axis. Coupled inplane, out-of-plane, and torsional vibrations are considered. Normalized displacements, shear forces and moments may be printed out and Calcomp plots of natural frequencies as a function of rotor RPM may be produced.

Bennett, R. L.↗
NASA NTRS1988

A mixed-mode bending apparatus for delamination testing

A mixed-mode delamination test procedure was developed combining double cantilever beam mode I loading and end notch flexure mode II loading on a split unidirectional laminate. By loading the specimen with a lever, a single applied load simultaneously produces mode I and II bending loads on the specimen. This mixed mode bending (MMB) test was analyzed using both finite element procedures and beam theory to calculate the mode I and II components of strain energy release rate, G sub I and G sub II, respectively. The analyses showed that a wide range of G sub I/G sub II ratios could be produced by varying the applied load position on the loading lever. As the delamination extended, the G sub I/G sub II ratios varied by less than 5 percent. The simple beam theory equations were modified to account for the elastic interaction between the two arms of the specimen and to account for shear deformations. The resulting equations agreed closely with the finite element results and provide a basis for selection of G sub I/G sub II test ratios and a basis for computing the mode I and II components of measured delamination toughness. The MMB specimen analysis and test procedures were demonstrated using unidirectional laminates.

Crews, John H., Jr.↗
NASA NTRS1999

Simulation of Non-Linear Transonic Aeroelastic Behavior on the B-2

At high subsonic flight speeds, large flexible aircraft begin to encounter unsteady airloads which are not predicted by most currently available aerodynamic analysis and design methods. With increasing speed and the development of transonic flow and shocks, viscous effects quickly become very important, and flow separation can occur. The Northrop Grumman USAF B-2 Bomber encountered a nonlinear aeroelastic Residual Pitch Oscillation (RPO) under these conditions. Simulation studies were performed with the Computational Aeroelasticity Program-Transonic Small Disturbance, Viscous (CAPTSDv) computer program to evaluate its ability to predict these nonlinear aeroelastic responses. Open and closed loop simulations were performed to assess the participation of the flight control system. Control, system actuator hysteresis characteristics were modeled and found to be a significant participant in the RPO phenomenon. Simulations were also performed for varying Mach numbers and altitudes to establish the stability boundaries and compare with flight test data. These CAPTSDv simulations compared well with flight data and revealed many potential further modeling enhancements.

Residual pitch oscillation↗
DOE OSTI2024

Validation study of RWM stability in DIII-D high- β N plasmas

The n = 1 (n is the toroidal mode number) resistive wall mode (RWM) stability is numerically investigated for two DIII-D high-β N discharges 176440 and 172461, utilizing the MARS-F (Liu et al 2000 Phys. Plasmas 7 3681) and MARS-K (Liu et al 2008 Phys. Plasmas 15 112503) codes. Systematic validation efforts are attempted, for the first time, for discharges with very slow or vanishing toroidal flow for a large fraction of the plasma volume. While gaining physics insights in accessing stable operation regime at β N exceeding the Troyon no-wall limit in these slow-rotation experiments, the predictive capability of fluid and non-perturbative magnetohydrodynamic-kinetic hybrid models for the RWM is further confirmed. The MARS-F fluid model, with a strong but numerically tunable viscosity mimicking ion Landau damping of parallel sound waves, finds complete stabilization of the n = 1 RWM in the considered DIII-D plasmas under the experimental flow conditions. Similarly, either full stabilization (for discharge 176440) or marginal stability (for discharge 172461) of the mode is computed by the MARS-K hybrid model, which is first-principle based without free model parameters. In particular, all drift kinetic resonances, including those of thermal and energetic particles, are found to synergistically act to marginally stabilize the RWM in discharge 172461. These MARS-F/K modeling results explain the experimentally observed stable operational regime in DIII-D, as far as the RWM stability is concerned. Extensive numerical sensitivity studies, with respect to the plasma toroidal flow speed as well as the radial location of the resistive wall, are also carried out to further support the validation study.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2024

A generalized Selberg zeta function for flat space cosmologies

Flat space cosmologies (FSCs) are time dependent solutions of three-dimensional (3D) gravity with a vanishing cosmological constant. They can be constructed from a discrete quotient of empty 3D flat spacetime and are also called shifted-boost orbifolds. Using this quotient structure, we build a new and generalized Selberg zeta function for FSCs, and show that it is directly related to the scalar 1-loop partition function. We then propose an extension of this formalism applicable to more general quotient manifolds $\mathcal{M}$/ℤ, based on representation theory of fields propagating on this background. Our prescription constitutes a novel and expedient method for calculating regularized 1-loop determinants, without resorting to the heat kernel. We compute quasinormal modes in the FSC using the zeroes of a Selberg zeta function, and match them to known results.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2026

Elastic strain engineering of lattice thermal conductivity of silicon: An ab-initio study

Silicon (Si) is the most essential material in the semiconductor industry. It is important to manage the thermal properties of crystalline Si. Elastic strain engineering (ESE) has proven to be an effective tool in controlling the electrical conductivity of Si in strained-silicon technology; its effects on the thermal conductivity of silicon, therefore, warrants careful investigation. The ESE effect is much more pronounced for nanostructured materials due to the ultralarge elastic strains (on the order of 10%) achievable at the nanoscale. In this work, the lattice thermal conductivity (κ L ) of Si under hydrostatic, biaxial, and uniaxial strain states is studied with ab-initio simulations, and the values of strain-dependent κ L compare well with experimental results and existing molecular dynamics simulations. To understand the mechanisms of strain-modulated κ L , the phonon bands, scattering rate, and Grüneisen parameters of phonon modes are computed. It is shown that strain can significantly change the anharmonicity of the crystal system, thus changing phonon scattering rates and κ L . Our results demonstrate that ESE can reduce silicon κ L by up to approximately 90%. Furthermore, uniaxial and biaxial strains can induce highly anisotropic thermal conductivity in Si, with relative variations up to 58.5% and 14.5%, respectively.

Anisotropy in Thermal Conductivity↗
DOE OSTI2021

Pressure Effects on the Relaxation of an Excited Ethane Molecule in High-Pressure Bath Gases

Here, we use molecular dynamics to calculate the rotational and vibrational energy relaxation of C 2 H 6 in Ar, Kr, and Xe bath gases over a pressure range of 10 to 400 atm and at temperatures of 300 K and 800 K. The C 2 H 6 is instantaneously excited by 80 kcal/mol randomly distributed into both vibrational and rotational modes. The computed relaxation rates show little sensitivity to the identity of the noble gas in the bath. Vibrational relaxation rates show a non-linear pressure dependence at 300 K. At 800 K the reduced range of bath gas densities covered by the range of pressures do not yet show any non-linearity in the pressure dependence. Rotational relaxation is characterized with two relaxation rates. The slower rate is comparable to the vibrational relaxation rate. The faster rate has a linear pressure dependence at 300 K but an irregular, nonlinear pressure dependence at 800 K. To understand this, a model was developed based on approximating the periodic box used in the molecular dynamics simulations by an equal-volume collection of cubes where each cube is sized to allow only single occupancy by the noble gas or the molecule. Combinatorial statistics then leads to a pressure and temperature dependent analytic distribution of the bath gas species the molecule encounters in a collision. This distribution, the dissociation energy of molecule/bath gas complexes and bath gas clusters, and the computed energy release per collision combine to show that only at 300 K is the energy release sufficient to dissociate likely complexes and clusters. This suggests that persistent and pressure-dependent clusters and complexes at 800 K may be responsible for the non-linear pressure dependence of rotational relaxation.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2026

Advancing density functional tight-binding method for large organic molecules through equivariant neural networks

Semi-empirical quantum-mechanical (QM) methods have become valuable tools for studying complex (bio)molecular systems due to their balance between computational efficiency and accuracy. A key aspect of these methods is their parameterization, which not only governs the reliability of the results but also provides an opportunity to enhance their overall performance. In our previous work [J. Phys. Chem. Lett., 2021, 11, 16], we advanced the third-order semi-empirical density functional tight-binding (DFTB3) method for computing multiple properties of small molecules by developing the machine learning (ML) potential NN rep to bridge the gap between DFTB3 electronic components and those of the hybrid DFT-PBE0 functional. To overcome the limitations of NN rep , we introduce the EquiDTB framework, which leverages physics-inspired equivariant neural networks (NN) to parameterize scalable and transferable many-body Δ TB potentials, replacing the standard pairwise DFTB repulsive potential. This advancement extends the applicability of our ML-corrected DFTB approach to larger molecules and non-covalent systems (including only C, N, O, and H atoms), going beyond the chemical space represented in the training QM datasets. The enhanced performance of EquiDTB over the standard TB methods is demonstrated by the accurate computation of the atomic forces of S66x8 molecular dimers, as well as their interaction energies. Moreover, EquiDTB can be effectively employed to explore the potential energy surfaces of large and flexible drug-like molecules—for example, to determine the minimum energy path between isomers, analyze structural transitions during dynamical simulations, compute vibrational modes, and investigate energetic rankings. The performance for single molecules slightly decreases when the DFTB electronic energy is reduced to first-order but remains superior to standard TB methods. Our work thus demonstrates that an optimal integration of an equivariant NN with QM datasets can advance the DFTB method while maintaining high efficiency, paving the way for reliable (bio)molecular simulations.

Medrano Sandonas, Leonardo [Technische Universität↗
DOE OSTI2021

Thermal transport in defective and disordered materials

With significant recent advancements in thermal sciences—such as the development of new theoretical and experimental techniques, and the discovery of new transport mechanisms—it is helpful to revisit the fundamentals of vibrational heat conduction to formulate an updated and informed physical understanding. The increasing maturity of simulation and modeling methods sparks the desire to leverage these techniques to rapidly improve and develop technology through digital engineering and multi-scale, electro-thermal models. With that vision in mind, this review attempts to build a holistic understanding of thermal transport by focusing on the often unaddressed relationships between subfields, which can be critical for multi-scale modeling approaches. For example, we outline the relationship between mode-specific (computational) and spectral (analytical) models. We relate thermal boundary resistance models based on perturbation approaches and classic transmissivity based models. We discuss the relationship between lattice dynamics and molecular dynamics approaches along with two-channel transport frameworks that have emerged recently and that connect crystal-like and amorphous-like heat conduction. Throughout, we discuss best practices for modeling experimental data and outline how these models can guide material-level and system-level design.

42 ENGINEERING↗