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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 379 records · Page 21
All sourcesNASA NTRSDOE OSTI
NASA NTRS1979

Acoustic duct liner optimization using finite elements

Determination of a mathematical model which may be used for obtaining optimum acoustic liners in aeroengine ducts was the goal of this study. Starting with a baseline finite element model which consumed too much computer time to permit optimum liner evaluation for realistic ducts and source frequencies, a survey was conducted of candidate methods for reducing computational effort. A highly effective boundary exclusive decomposition method was developed which enables L-U decomposition of a major partition of the global matrix to be performed once only. Timing experiments using the technique in duct liner optimization show a reduction of between one and two orders of magnitude in the central processor unit (CPU) time of the baseline model.

Abrahamson, A. L.↗
NASA NTRS1986

Nitrogen uptake and utilization by intact plants

The results of experiments support the proposed conceptual model that relates nitrogen uptake activity by plants as a balanced interdependence between the carbon-supplying function of the shoot and the nitrogen-supplying function of the roots. The data are being used to modify a dynamic simulation of plant growth, which presently describes carbon flows through the plant, to describe nitrogen uptake and assimilation within the plant system. Although several models have been proposed to predict nitrogen uptake and partitioning, they emphasize root characteristics affecting nutrient uptake and relay on empirical methods to describe the relationship between nitrogen and carbon flows within the plant. Researchers, on the other hand, propose to continue to attempt a mechanistic solution in which the effects of environment on nitrogen (as well as carbon) assimilation are incorporated through their direct effects on photosynthesis, respiration, and aging processes.

Raper, C. D., Jr.↗
NASA NTRS1988

An access alternative for mobile satellite networks

Conceptually, this paper discusses strategies of digital satellite communication networks for a very large number of low density traffic stations. These stations can be either aeronautical, land mobile, or maritime. The techniques can be applied to international, domestic, regional, and special purpose satellite networks. The applications can be commercial, scientific, military, emergency, navigational or educational. The key strategy is the use of a non-orthogonal access method, which tolerates overlapping signals. With n being either time or frequency partitions, and with a single overlapping signal allowed, a low cost mobile satellite system can be designed with n squared (n squared + n + 1) number of terminals.

Wu, W. W.↗
NASA NTRS1992

Thermomechanical and bithermal fatigue behavior of cast B1900 + Hf and wrought Haynes 188

A thermomechanical fatigue (TMF) high-temperature life prediction method has been evaluated using the experimental data. Bithermal fatigue (BTF), bithermal creep-fatigue (BTC-F), and TMF experiments were performed using two aerospace structural alloys, cast B1900 + Hf and wrought Haynes 188. The method which is based on the total strain version of strain range partitioning and unified cyclic constitutive modeling requires, as an input, information on the flow and failure behavior of the material of interest. Bithermal temperatures of 483 and 871 C were used for the cast B1900 + Hf nickel-base alloy and 316 and 760 C for the wrought Haynes 188 cobalt-base alloy. Maximum and minimum temperatures were also used in both TMF and BTF tests. Comparisons were made between the results of these tests and isothermal tensile and fatigue test data obtained previously. Qualitative correlations were observed between tensile and isothermal fatigue tests.

Halford, G. R.↗
NASA NTRS1990

Method of up-front load balancing for local memory parallel processors

In a parallel processing computer system with multiple processing units and shared memory, a method is disclosed for uniformly balancing the aggregate computational load in, and utilizing minimal memory by, a network having identical computations to be executed at each connection therein. Read-only and read-write memory are subdivided into a plurality of process sets, which function like artificial processing units. Said plurality of process sets is iteratively merged and reduced to the number of processing units without exceeding the balance load. Said merger is based upon the value of a partition threshold, which is a measure of the memory utilization. The turnaround time and memory savings of the instant method are functions of the number of processing units available and the number of partitions into which the memory is subdivided. Typical results of the preferred embodiment yielded memory savings of from sixty to seventy five percent.

Baffes, Paul Thomas↗
DOE OSTI2024

Computing equilibrium free energies through a nonequilibrium quench

Many methods to accelerate sampling of molecular configurations are based on the idea that temperature can be used to accelerate rare transitions. These methods typically compute equilibrium properties at a target temperature using reweighting or through Monte Carlo exchanges between replicas at higher temperatures. A recent paper [G. M. Rotskoff and E. Vanden-Eijnden, Phys. Rev. Lett. 122, 150602 (2019)] demonstrated that accurate equilibrium densities of states can also be computed through a nonequilibrium “quench” process, where sampling is performed at a higher temperature to encourage rapid mixing and then quenched to lower energy states with dissipative dynamics. Here, we provide an implementation of the quench dynamics in LAMMPS and evaluate a new formulation of nonequilibrium estimators for the computation of partition functions or free energy surfaces (FESs) of molecular systems. We show that the method is exact for a minimal model of N-independent harmonic springs and use these analytical results to develop heuristics for the amount of quenching required to obtain accurate sampling. We then test the quench approach on alanine dipeptide, where we show that it gives an FES that is accurate near the most stable configurations using the quench approach but disagrees with a reference umbrella sampling calculation in high FE regions. We then show that combining quenching with umbrella sampling allows the efficient calculation of the free energy in all regions. Moreover, by using this combined scheme, we obtain the FES across a range of temperatures at no additional cost, making it much more efficient than standard umbrella sampling if this information is required. Finally, we discuss how this approach can be extended to solute tempering and demonstrate that it is highly accurate for the case of solvated alanine dipeptide without any additional modifications.

Chemistry↗
NASA NTRS2013

ISSM: Ice Sheet System Model

In order to have the capability to use satellite data from its own missions to inform future sea-level rise projections, JPL needed a full-fledged ice-sheet/iceshelf flow model, capable of modeling the mass balance of Antarctica and Greenland into the near future. ISSM was developed with such a goal in mind, as a massively parallelized, multi-purpose finite-element framework dedicated to ice-sheet modeling. ISSM features unstructured meshes (Tria in 2D, and Penta in 3D) along with corresponding finite elements for both types of meshes. Each finite element can carry out diagnostic, prognostic, transient, thermal 3D, surface, and bed slope simulations. Anisotropic meshing enables adaptation of meshes to a certain metric, and the 2D Shelfy-Stream, 3D Blatter/Pattyn, and 3D Full-Stokes formulations capture the bulk of the ice-flow physics. These elements can be coupled together, based on the Arlequin method, so that on a large scale model such as Antarctica, each type of finite element is used in the most efficient manner. For each finite element referenced above, ISSM implements an adjoint. This adjoint can be used to carry out model inversions of unknown model parameters, typically ice rheology and basal drag at the ice/bedrock interface, using a metric such as the observed InSAR surface velocity. This data assimilation capability is crucial to allow spinning up of ice flow models using available satellite data. ISSM relies on the PETSc library for its vectors, matrices, and solvers. This allows ISSM to run efficiently on any parallel platform, whether shared or distrib- ISSM: Ice Sheet System Model NASA's Jet Propulsion Laboratory, Pasadena, California uted. It can run on the largest clusters, and is fully scalable. This allows ISSM to tackle models the size of continents. ISSM is embedded into MATLAB and Python, both open scientific platforms. This improves its outreach within the science community. It is entirely written in C/C++, which gives it flexibility in its design, and the power/speed that C/C++ allows. ISSM is svn (subversion) hosted, on a JPL repository, to facilitate its development and maintenance. ISSM can also model propagation of rifts using contact mechanics and mesh splitting, and can interface to the Dakota software. To carry out sensitivity analysis, mesh partitioning algorithms are available, based on the Scotch, Chaco, and Metis partitioners that ensure equal area mesh partitions can be done, which are then usable for sampling and local reliability methods.

Larour, Eric↗
DOE OSTI2024

A Low-Rank QTT-based Finite Element Method for Elasticity Problems

We present an efficient and robust numerical algorithm for solving the linear elasticity problem that combines the Quantized Tensor Train format and a domain partitioning strategy. This approach makes it possible to solve the linear elasticity problem on a computational domain that is more general than a square. By integrating Z-ordering and subdomain concatenation, our method substantially decreases memory usage and achieves a notable reduction in rank compared to established Finite Element implementations like the FEniCS platform. This efficiency is maintained while still guaranteeing exponential convergence with respect to the number of degrees of freedom. This performance gain, however, requires a fundamental rethinking of how core finite element operations are implemented. This includes changes to mesh discretization, node and degree of freedom ordering, stiffness matrix and internal nodal force assembly, and the execution of algebraic matrix-vector operations. In this work, we discuss all these aspects in detail and assess the method’s performance in the numerical approximation of three representative test cases.

97 MATHEMATICS AND COMPUTING↗
NASA NTRSDate not supplied

Effect of Pressure and Oxidation State on Pnictogen Metal-Silicate Partitioning

The partitioning of trace elements between metal and silicate melts serves as the foundation for understanding the differentiation of a planetary body into a metallic core and silicate mantle. Element activity influences metal-silicate partitioning behavior. Activity coefficients are directly dependent on composition and temperature, and can be indirectly dependent on oxygen fugacity and pressure. Distinguishing the effect of pressure from other variables on the activity coefficients and partitioning is important for understanding the chemical evolution of different planetary bodies during differentiation. In this study, we investigated the influence of pressure on the activity coefficients of Cu, Mo, Pd, Pt, As, Sb, and Bi in Fe-Si metallic liquids. All of these elements exhibit moderate to high activity coefficients in Fe-Si liquids at low pressure, which significantly controls their metal-silicate partitioning behavior. Identifying whether this strong dependence persists at higher pressures is critical to modeling and understanding the chemical consequences of core formation. New experiments at 10 GPa were used to derive activity coefficients for these metals which can be compared to activity coefficients determined at 1 GPa. Experiments were conducted at 10 GPa and 2373K using a 10/5 assembly in the 880-ton multi anvil press at NASA Johnson Space Center. The standard 10/5 COMPRES assembly was slightly modified to accommodate a sample capsule machined from single-crystal MgO that minimizes melt percolation out of the sample volume during the experiment. Experiment starting materials were comprised of 70 wt.% Knippa basalt and 30 wt.% metal. The metal mixture (~85 wt.% Fe) was created by adding the elements of interest (Cu, Mo, Pd, Pt, As, Sb, Bi) to Fe metal powder. Varied amounts of Si metal (0-10 wt.% Si) were added to the metal-silicate mixtures to generate a systematic series of starting materials. For each element, an epsilon interaction parameter in Fe-Si liquid was derived from the results of our 0-10 wt.% Si metal series. To investigate whether pressure influences the trace element activity coefficients in the 1-10 GPa pressure range, we compared our results at 10 GPa to those at 1-4 GPa [1-3]. Our results can also be directly compared to interaction parameters for Au, P, V, Mn, Ga, Zn, Cd, Sn, W, Pb, and Nb previously determined at 10 GPa and 2373K following the same methods [4]. Combined, this suite of interaction parameters will directly inform metal- silicate partitioning between 1 and 10 GPa, and assess whether these values can be extrapolated to modeling differentiation processes at pressures >10 GPa. [1] Righter et al. (2018) GCA 232, 101-123 [2] Righter et al. (2019) MaPS 54, 1379-1394 [3] Steenstra et al. (2020) Icarus, 335, 113391 [4] Righter et al. (2020) Geochem. Persp. Let. 15, 44-49

Kelsey Prissel↗
NASA NTRS2002

Spectral (Finite) Volume Method for One Dimensional Euler Equations

Consider a mesh of unstructured triangular cells. Each cell is called a Spectral Volume (SV), denoted by Si, which is further partitioned into subcells named Control Volumes (CVs), indicated by C(sub i,j). To represent the solution as a polynomial of degree m in two dimensions (2D) we need N = (m+1)(m+2)/2 pieces of independent information, or degrees of freedom (DOFs). The DOFs in a SV method are the volume-averaged mean variables at the N CVs. For example, to build a quadratic reconstruction in 2D, we need at least (2+1)(3+1)/2 = 6 DOFs. There are numerous ways of partitioning a SV, and not every partition is admissible in the sense that the partition may not be capable of producing a degree m polynomial. Once N mean solutions in the CVs of a SV are given, a unique polynomial reconstruction can be obtained.

Wang, Z. J.↗
DOE OSTI2020

Moment preserving constrained resampling with applications to particle-in-cell methods

The Moment Preserving Constrained Resampling (MPCR) algorithm for particle resampling is introduced and applied to particle-in-cell (PIC) methods to increase simulation accuracy, reduce compute cost, and/or avoid numerical instabilities. The general algorithm partitions the system space into smaller subsets and resamples the distribution within each subset. Further, the algorithm is designed to conserve any number of particle and grid moments with a high degree of accuracy (i.e. machine accuracy). The effectiveness of MPCR is demonstrated with several numerical tests, including a use-case study in gyrokinetic fusion plasma simulations. Finally, the computational cost of MPCR is negligible compared to the cost of particle evolution in PIC methods, and the tests demonstrate that periodic particle resampling yields a significant improvement in the accuracy and stability of the results.

63 RADIATION, THERMAL, AND OTHER ENVIRON. POLLUTAN↗
DOE OSTI2022

Pore space partition of metal-organic frameworks for gas storage and separation

Pore space partition (PSP) concept is a synthetic design concept and can also serve as a structure analysis method useful for next-step synthetic planning and execution. PSP provides an integrated chemistry-topology-focused tool to design new materials platforms. While PSP is no less effective for making large-pore materials, the growing importance of small-molecule gas storage and separation for green-energy applications provides impetus for developing small-pore materials for which the PSP strategy is uniquely suited. Currently, the best embodiment of the PSP concept is the partitioned-acs (pacs) platform in which both fine or coarse adjustments to the building blocks have sparked a transformation of a prototype framework into a huge and continuously expanding family of chemically robust materials with controllable pore metrics and functionalities suitable for tailored applications. The pacs compositional diversity results from the platform’s intrinsic multi-module nature, geometric flexibility and tolerance towards individual module variations, and mutual structure-directing effects among various modules, all of which combine to enable the molecular-level uniform co-assemblies of chemical components rarely seen together elsewhere. Here, in this contribution, we present an overview of different pore space engineering methods and how different MOF materials have contributed to important advances in chemical stability, industrial gas storage and gas separation. In particular, we will focus on synthetic assembly of the pacs system, highlighting the differences of pacs materials from other MOF platforms and advantages of pacs materials in enhancing various MOF properties.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

A new method for diagnosing effective radiative forcing from aerosol–cloud interactions in climate models

Aerosol–cloud interactions (ACIs) are a leading source of uncertainty in estimates of the historical effective radiative forcing (ERF). One reason for this uncertainty is the difficulty in estimating the ERF from aerosol–cloud interactions (ERFaci) in climate models, which typically requires multiple calls to the radiation code. Most commonly used methods also cannot disentangle the contributions from different processes to ERFaci. Here, we develop a new, computationally efficient method for estimating the shortwave (SW) ERFaci from liquid clouds using histograms of monthly averaged cloud fraction partitioned by cloud droplet effective radius (r e ) and liquid water path (LWP). Multiplying the histograms with SW cloud radiative kernels gives the total SW ERFaci from liquid clouds, which can be decomposed into contributions from the Twomey effect, LWP adjustments, and cloud fraction (CF) adjustments. We test the method with data from five CMIP6-era models, using the Moderate Resolution Imaging Spectroradiometer (MODIS) satellite instrument simulator to generate the histograms. Our method gives similar total SW ERFaci estimates to other established methods in regions of prevalent liquid cloud and indicates that the Twomey effect, LWP adjustments, and CF adjustments have contributed -0.34 ± 0.23, -0.22 ± 0.13, and -0.09 ± 0.11 W m -2 , respectively, to the effective radiative forcing of the climate since 1850 in the ensemble mean (95 % confidence). These results demonstrate that widespread adoption of a MODIS r e –LWP joint histogram diagnostic would allow the SW ERFaci and its components to be quickly and accurately diagnosed from climate model outputs, a crucial step for reducing uncertainty in the historical ERF.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2023

Efficient Network Partitioning: Application for Decentralized State Estimation in Power Distribution Grids

Increase in the proliferation of distributed energy resources require real-time situational awareness for efficient grid operations. State estimation plays an important role for the real-time control and management of the power grid. As the sensing infrastructure grows, aggregating and handling high volumes of data at a centralized location is extremely difficult. To address this challenge, this paper first proposes a novel and efficient hier-archical spectral clustering-based network partitioning algorithm followed by a decentralized compressive sensing (DCS)-based state estimation. The applicability of the proposed network partitioning algorithm is tested on an IEEE 123-bus network, an IEEE 8,500-node system, and a 6,000+ node distribution network. The results shows that the proposed approach efficiently divides the network into multiple sub-networks with the minimum number of edge connections among the neighbors. Then, we perform DCS-based state estimation on the 6,000+ node distribution network after dividing the network into 18 optimal partitions. Simulation results show that the DCS-based state estimation recovers the system states with high accuracy and low complexity.

alternating direction method of multipliers↗
DOE OSTI2021

Meshless discretization of the discrete-ordinates transport equation with integration based on Voronoi cells

The time-dependent, gray, linear radiation transport equation is discretized using the meshless local Petrov-Galerkin method with reproducing kernels. The integration is performed using a Voronoi tessellation, which creates a partition of unity that only depends on the position and extent of the kernels. The resolution of the integration automatically follows the particles and requires no manual adjustment. The discretization includes streamline-upwind Petrov-Galerkin stabilization to prevent oscillations and improve numerical conditioning. The angular quadrature is selectively refineable to increase angular resolution in chosen directions. The time discretization is done using backward Euler. The transport solve for each direction and the solve for the scattering source are both done using Krylov iterative methods. The results indicate first-order convergence in time and second-order convergence in space for linear reproducing kernels.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2020

A proximity‐based image‐processing algorithm for colloid assignment in segmented multiphase flow datasets

Summary Colloidal transport and deposition are of both environmental and engineering importance. Easier access to x‐ray microtomography (XMT) coupled with improved imaging resolution has made XMT a unique and viable tool for visualizing and quantifying these processes. Currently, there is scant information in the literature addressing colloid segmentation and analysis in saturated and unsaturated porous media, in particular related to spatial partitioning of colloids. To support this need, an approach to assign segmented colloidal particles and aggregates to different partitioning classes based on their proximity to different phases is presented here. The method uses different markers for each attachment site (e.g. wetting‐nonwetting phase interfaces). An example XMT dataset from a drainage experiment is used to demonstrate the efficacy of the image processing algorithms. Flow conditions, and fluid and colloid properties, can thus be compared to the behaviour of colloids within the porous medium. This algorithm can help elucidate colloidal deposition mechanisms and the importance of different attachment sites, explore the importance of fluid properties, as well as the arrangement and shape of the colloids.

BRUECK, C. L.↗
NASA NTRS1990

Counterrotating prop-fan simulations which feature a relative-motion multiblock grid decomposition enabling arbitrary time-steps

Improvements are presented of a computer algorithm developed for the time-accurate flow analysis of rotating machines. The flow model is a finite volume method utilizing a high-resolution approximate Riemann solver for interface flux definitions. The numerical scheme is a block LU implicit iterative-refinement method which possesses apparent unconditional stability. Multiblock composite gridding is used to orderly partition the field into a specified arrangement of blocks exhibiting varying degrees of similarity. Block-block relative motion is achieved using local grid distortion to reduce grid skewness and accommodate arbitrary time step selection. A general high-order numerical scheme is applied to satisfy the geometric conservation law. An even-blade-count counterrotating unducted fan configuration is chosen for a computational study comparing solutions resulting from altering parameters such as time step size and iteration count. The solutions are compared with measured data.

Janus, J. Mark↗
NASA NTRS2002

Dynamics of Quantum Adiabatic Evolution Algorithm for Number Partitioning

We have developed a general technique to study the dynamics of the quantum adiabatic evolution algorithm applied to random combinatorial optimization problems in the asymptotic limit of large problem size n. We use as an example the NP-complete Number Partitioning problem and map the algorithm dynamics to that of an auxiliary quantum spin glass system with the slowly varying Hamiltonian. We use a Green function method to obtain the adiabatic eigenstates and the minimum exitation gap, gmin = O(n2(sup -n/2)), corresponding to the exponential complexity of the algorithm for Number Partitioning. The key element of the analysis is the conditional energy distribution computed for the set of all spin configurations generated from a given (ancestor) configuration by simultaneous flipping of a fixed number of spins. For the problem in question this distribution is shown to depend on the ancestor spin configuration only via a certain parameter related to the energy of the configuration. As the result, the algorithm dynamics can be described in terms of one-dimensional quantum diffusion in the energy space. This effect provides a general limitation of a quantum adiabatic computation in random optimization problems. Analytical results are in agreement with the numerical simulation of the algorithm.

Smelyanskiy, Vadius↗