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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 613 records · Page 34
All sourcesNASA NTRSDOE OSTI
NASA NTRS2017

NASA's Space Launch System: Deep-Space Delivery for SmallSats

Designed for human exploration missions into deep space, NASA's Space Launch System (SLS) represents a new spaceflight infrastructure asset, enabling a wide variety of unique utilization opportunities. While primarily focused on launching the large systems needed for crewed spaceflight beyond Earth orbit, SLS also offers a game-changing capability for the deployment of small satellites to deep-space destinations, beginning with its first flight. Currently, SLS is making rapid progress toward readiness for its first launch in two years, using the initial configuration of the vehicle, which is capable of delivering more than 70 metric tons (t) to Low Earth Orbit (LEO). Planning is underway for smallsat accomodations on future configurations of the vehicle, which will present additional opportunities. This paper will include an overview of the SLS vehicle and its capabilities, including the current status of progress toward first launch. It will also explain the current and future opportunities the vehicle offers for small satellites, including an overview of the CubeSat manifest for Exploration Mission-1 in 2018 and a discussion of future capabilities.

Robinson, Kimberly F.↗
NASA NTRS2017

NASA's Space Launch System: Deep-Space Delivery for SmallSats

Designed for human exploration missions into deep space, NASA's Space Launch System (SLS) represents a new spaceflight infrastructure asset, enabling a wide variety of unique utilization opportunities. While primarily focused on launching the large systems needed for crewed spaceflight beyond Earth orbit, SLS also offers a game-changing capability for the deployment of small satellites to deep-space destinations, beginning with its first flight. Currently, SLS is making rapid progress toward readiness for its first launch in two years, using the initial configuration of the vehicle, which is capable of delivering more than 70 metric tons (t) to Low Earth Orbit (LEO). On its first flight, an uncrewed test of the Orion spacecraft into distant retrograde orbit around the moon, accompanying Orion on SLS will be 13 small-satellite secondary payloads, which will deploy in cislunar space. These secondary payloads will include not only NASA research, but also spacecraft from industry and international partners and academia. The payloads also represent a variety of disciplines including, but not limited to, studies of the moon, Earth, sun, and asteroids. The Space Launch System Program is working actively with the developers of the payloads toward vehicle integration. Following its first flight and potentially as early as its second, SLS will evolve into a more powerful configuration with a larger upper stage. This configuration will initially be able to deliver 105 t to LEO, and will continue to be upgraded to a performance of greater than 130 t to LEO. While the addition of the more powerful upper stage will mean a change to the secondary payload accommodations from those on the first launch, the SLS Program is already evaluating options for future secondary payload opportunities. Early discussions are also already underway for the use of SLS to launch spacecraft on interplanetary trajectories, which could open additional opportunities for small satellites. This presentation will include an overview of the SLS vehicle and its capabilities, including the current status of progress toward first launch. It will also explain the opportunities the vehicle offers for small satellites, including an overview of the CubeSat manifest for Exploration Mission-1 in 2018 and a discussion of future capabilities.

Robinson, Kimberly F.↗
DOE OSTI2021

The FMO-DFTB Method

Although the fragment molecular orbital (FMO) method enables electronic structure calculations with near-linear scaling behavior with respect to system size, the computational cost of ab initio methods typically employed in conjunction with FMO is still prohibitive for routine calculations of very large systems or long timescale molecular dynamics simulations. We, therefore, combined the FMO and density-functional tight-binding (DFTB) method, which is one of the emerging semi-empirical quantum chemical methods, and have demonstrated that FMO-DFTB is capable of performing geometry optimizations for systems containing up to one million atoms using limited computational resources. In this chapter, we will review the basics of the DFTB method first before introducing FMO-DFTB, focusing on the relationship with density functional theory and other FMO methodologies. We also demonstrate the latest scalings of FMO-DFTB2 and DFTB3 using three-dimensional water clusters, showing that the most favorable scaling is O(N1.16). Applications of FMO-DFTB to various systems are briefly summarized, and an outlook to future applications is provided.

Nishimoto, Yoshio↗
NASA NTRS1989

A class of high resolution explicit and implicit shock-capturing methods

An attempt is made to give a unified and generalized formulation of a class of high resolution, explicit and implicit shock capturing methods, and to illustrate their versatility in various steady and unsteady complex shock wave computations. Included is a systematic review of the basic design principle of the various related numerical methods. Special emphasis is on the construction of the basis nonlinear, spatially second and third order schemes for nonlinear scalar hyperbolic conservation laws and the methods of extending these nonlinear scalar schemes to nonlinear systems via the approximate Riemann solvers and the flux vector splitting approaches. Generalization of these methods to efficiently include equilibrium real gases and large systems of nonequilibrium flows are discussed. Some issues concerning the applicability of these methods that were designed for homogeneous hyperbolic conservation laws to problems containing stiff source terms and shock waves are also included. The performance of some of these schemes is illustrated by numerical examples for 1-, 2- and 3-dimensional gas dynamics problems.

Yee, H. C.↗
DOE OSTI2024

Reduced-dimension Bayesian optimization for model calibration of transient vapor compression cycles

Development and calibration of first-principles dynamic models of vapor compression cycles (VCCs) is of critical importance for applications that include control design and fault detection and diagnostics. Nevertheless, the inherent complexity of models that are represented by large systems of differential–algebraic equations leads to significant challenges for model calibration processes that utilize classical gradient-based methods. Bayesian optimization (BO) is a sample-efficient and gradient-free approach using a probabilistic surrogate model and optimal search over a feasible parameter space. Despite the benefits of BO in reducing computational costs, challenges remain in dealing with a high-dimensional calibration task resulting from a large set of parameters that have significant impacts on system behavior and need to be calibrated simultaneously. This paper presents a reduced-dimension BO framework for calibrating transient VCCs models where the calibration space is projected to a low-dimensional subspace for accelerating convergence of the solution algorithm and consequently reducing the number of transient simulations. The proposed approach was demonstrated via two case studies associated with different VCC applications where 10 parameters were calibrated in each case using laboratory measurements. The reduced-dimension BO framework only required 1 / 8 th of the iterations associated with a standard BO method that deals with high-dimensional calibration parameters for converged solutions and yielded comparable accuracy. Furthermore, both calibrated models revealed significant accuracy improvements compared to uncalibrated models.

Ma, Jiacheng↗
NASA NTRS2023

Orbital Workshop Concept

This is a concept for a system that can perform certain aspects of recycling/manufacturing/integration/servicing in zero-g & low-g space environments. The system consists of a slowly rotating inflatable tube that surrounds a system being worked on. This design captures debris by generating artificial gravity, thereby allowing “dirty” manufacturing/ recycling/ integration/ servicing techniques and enables loading/unloading of large systems. The system encapsulates the piece being worked on and uses an internal robotic arm with appropriate tools. This system is designed to complement the abilities of the Orbital Collector (see NTR 1660756036).

manufacturing↗
NASA NTRS1987

Upwind and symmetric shock-capturing schemes

The development of numerical methods for hyperbolic conservation laws has been a rapidly growing area for the last ten years. Many of the fundamental concepts and state-of-the-art developments can only be found in meeting proceedings or internal reports. This review paper attempts to give an overview and a unified formulation of a class of shock-capturing methods. Special emphasis is on the construction of the basic nonlinear scalar second-order schemes and the methods of extending these nonlinear scalar schemes to nonlinear systems via the extact Riemann solver, approximate Riemann solvers, and flux-vector splitting approaches. Generalization of these methods to efficiently include real gases and large systems of nonequilibrium flows is discussed. The performance of some of these schemes is illustrated by numerical examples for one-, two- and three-dimensional gas dynamics problems.

Yee, H. C.↗
DOE OSTI2020

Agent-Based Framework for Supporting Behind the Meter Transactive Power Electronic Systems

In this paper, the concept of a framework based on an agent-based interface for power stages in a power electronic system is presented. The presented concept or agent system is able to consider any number of different types of sources, types of converters, communication protocols, embedded decision making to support transactive, and hierarchy for large system integration. The concept is presented through several examples including the implementation on an actual physical system and demonstration of transactive type controls.

Starke, Michael↗
NASA NTRS1982

Subsonic 3-D surface panel method for rapid analysis of multiple geometry perturbations

For any baseline aircraft configuration, a matrix of partial derivatives of surface velocity potential with respect to geometry coordinates is calculated. Linear extrapolation is then used to analyze the subcritical potential flow corresponding to a series of arbitrary small geometry perturbations. Each perturbation analysis is more than an order of magnitude more efficient than a conventional panel method solution because no influence coefficients are calculated and no large system of linear algebraic equations is solved. Wing and wing-fuselage examples are presented to demonstrate that the predicted pressure distributions are nearly exact for large changes to wing camber, thickness, and leading edge radius.

Bristow, D. R.↗
NASA NTRS1994

Sensitivity derivatives for three dimensional supersonic Euler code using incremental iterative strategy

In a recent work, an incremental strategy was proposed to iteratively solve the very large systems of linear equations that are required to obtain quasianalytical sensitivity derivatives from advanced computational fluid dynamics (CFD) codes. The technique was sucessfully demonstrated for two large two-dimensional problems: a subsonic and a transonic airfoil. The principal feature of this incremental iterative stategy is that it allows the use of the identical approximate coefficient matrix operator and algorithm to solve the nonlinear flow and the linear sensitivity equations; at convergence, the accuracy of the sensitivity derivatives is not compromised. This feature allows a comparatively straightforward extension of the methodology to three-dimensional problems; this extension is successfully demonstrated in the present study for a space-marching solution of the three-dimensional Euler equations over a Mach 2.4 blended wing-body configuration.

Korivi, Vamshi Mohan↗
DOE OSTI2022

Physics-Informed Sparse Gaussian Process for Probabilistic Stability Analysis of Large-Scale Power System with Dynamic PVs and Loads

This work proposes a physics-informed sparse Gaussian process (SGP) for probabilistic stability assessment of large-scale power systems in the presence of uncertain dynamic PVs and loads. The differential and algebraic equations considering uncertainties from dynamic PVs and loads are reformulated to a nonlinear mapping relationship that allows the application of SGP. Thanks to the nonparametric characteristic of Gaussian process, the proposed framework does not require distributions of uncertain inputs and this distinguishes it from existing approaches. As the original Gaussian process is not scalable to large-scale systems with high dimensional uncertain inputs, this paper develops the SGP with a stochastic variational inference technique. It leads to approximately two orders of complex reduction. A data pre-processing step is also introduced to tackle the coexistence of stable and unstable cases by sample clustering and constructing separate SGPs. The probabilistic transient stability index is analyzed to assess system stability under different uncertain dynamics loads and PVs. Comparisons are performed with the sampling-based, the polynomial chaos expansion-based, and traditional Gaussian process-based methods on the modified IEEE 118-bus and Texas 2000-bus systems under various scenarios, including different levels of uncertainties and the existence of nonlinear correlations among dynamic PVs. The impacts of data quality and quantity issues are also investigated. It is shown that the proposed SGP achieves significantly improved computational efficiency while maintaining high accuracy with a limited number of data.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2022

Trends in Siting of Metals in Heterometallic Nd–Yb Metal–Organic Frameworks and Molecular Crystals

Several studies suggest that metal ordering within metal–organic frameworks (MOFs) is important for understanding how MOFs behave in relevant applications; however, these siting trends can be difficult to determine experimentally. To garner insight into the energetic driving forces that may lead to nonrandom ordering within heterometallic MOFs, we employ density functional theory (DFT) calculations on several bimetallic metal–organic crystals composed of Nd and Yb metal atoms. We also investigate the metal siting trends for a newly synthesized MOF. Our DFT-based energy of mixing results suggest that Nd will likely occupy sites with greater access to electronegative atoms and that local homometallic domains within a mixed-metal Nd–Yb system are favored. We also explore the use of less computationally extensive methods such as classical force fields and cluster expansion models to understand their feasibility for large system sizes. Here, this study highlights the impact of metal ordering on the energetic stability of heterometallic MOFs and crystal structures.

energy of mixing↗
DOE OSTI2020

Efficient perturbation-tracking method for directly probing the spectral phonon properties from molecular dynamics simulations

Existing methods for directly extracting the spectral phonon properties from molecular dynamics (MD) simulations, like the normal mode analysis (NMA) and spectral energy density analysis, all require a very long simulation time to produce reliable results with good convergence. So far, these methods are mainly applied in studies using small systems and with empirical potentials, as the heavy computational load has greatly hindered their further applications. Here we propose a perturbation-tracking (PT) method for directly probing the mode-wise phonon anharmonic frequencies and lifetimes. We show that results obtained from our method are in excellent agreement with those from the conventional NMA approach, using Si as the model material system. Comparing with the NMA approach, the PT method offers a greater accuracy and significant improvement of efficiency. It takes an average of two orders of magnitude and up to three orders of magnitude less simulation time to obtain the same lifetime result of a phonon mode with intermediate to high accuracy. Meanwhile, our method preserves all the dynamics of probed phonon mode from a particular state, which means it is capable of studying the transient thermal transport processes in a nonequilibrium system. Besides the exceptional efficiency, our method also comes with freedom to choose to probe only those modes of interest. This makes it ideal for use with large systems and in computationally demanding applications, such as ab initio MD simulations. Moreover, the PT method we propose here is very straightforward and easy to implement.

74 ATOMIC AND MOLECULAR PHYSICS↗
NASA NTRS2003

Sub-problem Optimization With Regression and Neural Network Approximators

Design optimization of large systems can be attempted through a sub-problem strategy. In this strategy, the original problem is divided into a number of smaller problems that are clustered together to obtain a sequence of sub-problems. Solution to the large problem is attempted iteratively through repeated solutions to the modest sub-problems. This strategy is applicable to structures and to multidisciplinary systems. For structures, clustering the substructures generates the sequence of sub-problems. For a multidisciplinary system, individual disciplines, accounting for coupling, can be considered as sub-problems. A sub-problem, if required, can be further broken down to accommodate sub-disciplines. The sub-problem strategy is being implemented into the NASA design optimization test bed, referred to as "CometBoards." Neural network and regression approximators are employed for reanalysis and sensitivity analysis calculations at the sub-problem level. The strategy has been implemented in sequential as well as parallel computational environments. This strategy, which attempts to alleviate algorithmic and reanalysis deficiencies, has the potential to become a powerful design tool. However, several issues have to be addressed before its full potential can be harnessed. This paper illustrates the strategy and addresses some issues.

Guptill, James D.↗
NASA NTRS1989

Phase-Change Heat-Storage Module

Heat-storage module accommodates momentary heating or cooling overload in pumped-liquid heat-transfer system. Large heat-storage capacity of module provided by heat of fusion of material that freezes at or near temperature desired to maintain object to be heated or cooled. Module involves relatively small penalties in weight, cost, and size and more than compensates by enabling design of rest of system to handle only average load. Latent heat of fusion of phase-change material provides large heat-storage capacity in small volume.

Mulligan, James C.↗
NASA NTRS1975

A numerical scheme to solve unstable boundary value problems

A new iterative scheme for solving boundary value problems is presented. It consists of the introduction of an artificial time dependence into a modified version of the system of equations. Then explicit forward integrations in time are followed by explicit integrations backwards in time. The method converges under much more general conditions than schemes based in forward time integrations (false transient schemes). In particular it can attain a steady state solution of an elliptical system of equations even if the solution is unstable, in which case other iterative schemes fail to converge. The simplicity of its use makes it attractive for solving large systems of nonlinear equations.

Kalnay Derivas, E.↗