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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 199 records · Page 11

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NASA NTRS1978

Fractographic evaluation of creep effects on strain-controlled fatigue-cracking of AISI 304LC and 316 stainless steel

Analysis of high temperature low cycle fatigue of AISI 304LC and 316 stainless steels by the method of strainrange partitioning results in four separate strainrange versus life relationships, depending upon the way in which creep-strain and plastic strain are combined within a cycle. Fractography is used in this investigation of the creep-fatigue interaction associated with these cycles. The PP and PC-cycle fractures were transgranular. The PC-cycle resulted in fewer cycles of initiation and shorter total cyclic life for the same applied inelastic strainrange. The CC-cycle had mixed transgranular and intergranular fracture, fewer cycles of initiation and shorter cycle life than PP or PC. The CP-cycle had fully integranular cracking, and failed in fewer cycles than were required for cracks to initate for PP,PC, and CC.

Oldrieve, R. E.↗

NASA NTRS1986

Solving Large Systems of Normal Equations

SOLVE II program combines any number of sets of normal equations and obtains solution vector and related statistics. Normal equations of square, nonnegative definite matrix form. Program utilizes only upper symmetric portion of matrix. Program uses partitioned Cholesky decomposition method for matrix inversion to accommodate large parameter systems.

Putney, B.↗

NASA NTRS1990

Application of thermal life prediction model to high-temperature aerospace alloys B1900+Hf and Haynes 188

The results of the application of a newly proposed thermomechanical fatigue (TMF) life prediction method to a series of laboratory TMF results on two high-temperature aerospace engine alloys are presented. The method, referred to as TMF/TS-SRP, is based on three relatively recent developments: the total strain version of the method of Strainrange Partitioning (TS-SRP), the bithermal testing technique for characterizing TMF behavior, and advanced viscoplastic constitutive models. The high-temperature data reported in a companion publication are used to evaluate the constants in the model and to provide the TMF verification data to check its accuracy. Predicted lives are in agreement with the experimental lives to within a factor of approximately 2.

Halford, Gary R.↗

NASA NTRS1996

Interpretation of lidar and satellite data sets using a global photochemical model

The status in the beginning of the report period was that the existing General Circulation Model (GCM) was running with a chemistry module compiled for stratospheric simulation studies. The chemistry simulation was not working sufficiently in the troposphere and any tropospheric trace gas sources or dry deposition sinks were not yet incorporated. The current status concerning the chemistry module is that the chemistry simulation has been modified to also simulate the chemistry in the troposphere with resulting mixing ratios close to other model simulations as described in Olson et al. (1996). The mechanism to incorporate trace gas source and dry deposition sinks, testing for H202, CH300H, 03, HCHO, HN03, and N02, are incorporated and is currently being tested. Existing model and development versions include: the full GCM model, currently still running with the original stratospheric chemistry module; an off-line version of the GCM, i.e. wind and photolysis rates are pre-calculated and prescribed in read-in arrays; a box model version of the modified chemistry module for developments and first tests of new modifications; and a box model with the same chemistry simulated but flexible partitioning and integration methods for test purposes of those. The grantee's work focused mainly on three areas: trace gas sources and dry deposition; method to introduce a NO source instead of a NO(x) source; and investigating integration methods.

Chyba, Thomas↗

NASA NTRS1997

By Hand or Not By-Hand: A Case Study of Alternative Approaches to Parallelize CFD Applications

While parallel processing promises to speed up applications by several orders of magnitude, the performance achieved still depends upon several factors, including the multiprocessor architecture, system software, data distribution and alignment, as well as the methods used for partitioning the application and mapping its components onto the architecture. The existence of the Gorden Bell Prize given out at Supercomputing every year suggests that while good performance can be attained for real applications on general purpose multiprocessors, the large investment in man-power and time still has to be repeated for each application-machine combination. As applications and machine architectures become more complex, the cost and time-delays for obtaining performance by hand will become prohibitive. Computer users today can turn to three possible avenues for help: parallel libraries, parallel languages and compilers, interactive parallelization tools. The success of these methodologies, in turn, depends on proper application of data dependency analysis, program structure recognition and transformation, performance prediction as well as exploitation of user supplied knowledge. NASA has been developing multidisciplinary applications on highly parallel architectures under the High Performance Computing and Communications Program. Over the past six years, the transition of underlying hardware and system software have forced the scientists to spend a large effort to migrate and recede their applications. Various attempts to exploit software tools to automate the parallelization process have not produced favorable results. In this paper, we report our most recent experience with CAPTOOL, a package developed at Greenwich University. We have chosen CAPTOOL for three reasons: 1. CAPTOOL accepts a FORTRAN 77 program as input. This suggests its potential applicability to a large collection of legacy codes currently in use. 2. CAPTOOL employs domain decomposition to obtain parallelism. Although the fact that not all kinds of parallelism are handled may seem unappealing, many NASA applications in computational aerosciences as well as earth and space sciences are amenable to domain decomposition. 3. CAPTOOL generates code for a large variety of environments employed across NASA centers: MPI/PVM on network of workstations to the IBS/SP2 and CRAY/T3D.

Yan, Jerry C.↗

NASA NTRS1977

Strain partitioning of three alloys in ultrahigh vacuum using the step stress method

The ultrahigh vacuum strain controlled thermal-mechanical strain cycling fatigue behavior of ASTAR 811C, 304 stainless steel and A-286 was studied. The step stress procedure of experimental strainrange partitioning was utilized to partition the inelastic strainranges for tests duplicating conditionings previously reported by TRW. An analytical method is described in which these partitioned inelastic strainrange data can be used to develop the four basic life relationships for these materials.

Kortovich, C. S.↗

DOE OSTI2024

One-sweep moment-based semi-implicit-explicit integration for gray thermal radiation transport

Thermal radiation transport (TRT) is a time dependent, high dimensional partial integro-differential equation. In practical applications such as inertial confinement fusion, TRT is coupled to other physics such as hydrodynamics, plasmas, etc., and the timescales one is interested in capturing are often much slower than the radiation timescale. As a result, TRT is treated implicitly, and due to its stiffness and high dimensionality, is often a dominant computational cost in multiphysics simulations. Here we develop a new approach for implicit-explicit (IMEX) integration of gray TRT in the deterministic SN setting, which requires only one sweep per stage, with the simplest first-order method requiring only one sweep per time step. The partitioning of equations is done via a moment-based high-order low-order formulation of TRT, where the streaming operator and first two moments are used to capture the asymptotic stiff regimes of the streaming limit and diffusion limit. Absorption-reemission is treated explicitly, and although stiff, is sufficiently damped by the implicit solve that we achieve stable accurate time integration without incorporating the coupling of the high order and low order equations implicitly. Due to nonlinear coupling of the high-order and low-order equations through temperature-dependent opacities, to facilitate IMEX partitioning and higher-order methods, we use a semi-implicit integration approach amenable to nonlinear partitions. In conclusion, results are demonstrated on thick Marshak and crooked pipe benchmark problems, demonstrating orders of magnitude improvement in accuracy and wallclock compared with the standard first-order implicit integration typically used.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2023

Dimensionally reduced machine learning model for predicting single component octanol–water partition coefficients

Abstract MF-LOGP, a new method for determining a single component octanol–water partition coefficients ( $$LogP$$ LogP ) is presented which uses molecular formula as the only input. Octanol–water partition coefficients are useful in many applications, ranging from environmental fate and drug delivery. Currently, partition coefficients are either experimentally measured or predicted as a function of structural fragments, topological descriptors, or thermodynamic properties known or calculated from precise molecular structures. The MF-LOGP method presented here differs from classical methods as it does not require any structural information and uses molecular formula as the sole model input. MF-LOGP is therefore useful for situations in which the structure is unknown or where the use of a low dimensional, easily automatable, and computationally inexpensive calculations is required. MF-LOGP is a random forest algorithm that is trained and tested on 15,377 data points, using 10 features derived from the molecular formula to make $$LogP$$ LogP predictions. Using an independent validation set of 2713 data points, MF-LOGP was found to have an average $$RMSE$$ RMSE = 0.77 ± 0.007, $$MAE$$ MAE = 0.52 ± 0.003, and $${R}^{2}$$ R 2 = 0.83 ± 0.003. This performance fell within the spectrum of performances reported in the published literature for conventional higher dimensional models ( $$RMSE$$ RMSE = 0.42–1.54, $$MAE$$ MAE = 0.09–1.07, and $${R}^{2}$$ R 2 = 0.32–0.95). Compared with existing models, MF-LOGP requires a maximum of ten features and no structural information, thereby providing a practical and yet predictive tool. The development of MF-LOGP provides the groundwork for development of more physical prediction models leveraging big data analytical methods or complex multicomponent mixtures. Graphical Abstract

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2021

Machine Learning Models to Predict Inhibition of the Bile Salt Export Pump

Cholestatic liver injury is frequently associated with drug inhibition of bile salt transporters, such as the bile salt export pump (BSEP). Reliable in silico models to predict BSEP inhibition directly from chemical structures would significantly reduce costs during drug discovery and could help avoid injury to patients. We report our development of classification and regression models for BSEP inhibition with substantially improved performance over previously published models. We assessed the performance effects of different methods of chemical featurization, data set partitioning, and class labeling and identified the methods producing models that generalized best to novel chemical entities.

59 BASIC BIOLOGICAL SCIENCES↗

NASA NTRS1987

Maintaining an expert system for the Hubble Space Telescope ground support

The transformation portion of the Hubble Space Telescope (HST) Proposal Entry Processor System converts astronomer-oriented description of a scientific observing program into a detailed description of the parameters needed for planning and scheduling. The transformation system is one of a very few rulebased expert systems that has ever entered an operational phase. The day to day operations of the system and its rulebase are no longer the responsibility of the original developer. As a result, software engineering properties of the rulebased approach become more important. Maintenance issues associated with the coupling of rules within a rulebased system are discussed and a method is offered for partitioning a rulebase so that the amount of knowledge needed to modify the rulebase is minimized. This method is also used to develop a measure of the coupling strength of the rulebase.

Lindenmayer, Kelly↗

NASA NTRS1971

Creep-fatigue analysis by strain-range partitioning.

The framework of a new method is outlined for treating creep-fatigue behavior of metals. Inelastic strain-ranges are partitioned into the components of (1) completely reversed plasticity, (2) tensile plasticity reversed by compressive creep, or tensile creep reversed by compressive plasticity, and (3) completely reversed creep. Each of these components is shown to be related to cyclic life by a Manson-Coffin type power-law equation. A linear life fraction rule is used to combine the damaging effects of the individual components enabling the prediction of life. Test results are presented for a 2.25 Cr-1 Mo steel as well as limited information for a Type 316 stainless steel.

Manson, S. S.↗

DOE OSTI2024

Using Median Point in Keeling Plot to Reduce the Uncertainty of the Isotopic Composition of Evapotranspiration

Abstract The isotopic composition of evapotranspirationδ ET is a crucial parameter in isotope-based evapotranspiration (ET) partitioning and moisture recycling studies. The Keeling plot method is the most prevalent method to calculateδ ET , though it contains large extrapolated uncertainties from the least squares regression. Traditional Keeling regression uses the mean point of individual measurements. Here, a modified Keeling plot framework was proposed using the median point of individual measurements. We tested theδ ET uncertainty using the mean point [σ ET (mean)] and median point [σ ET (median)]. Multiple resolutions of input and output data from six independent sites were used to test the performance of the two methods. Theσ ET (mean) would be greater thanσ ET (median) when the mean value of inverse vapor concentration () is greater than the median value of inverse vapor concentration []. When applying the filter ofr 2 > 0.8, around 70% ofσ ET (mean) was greater thanσ ET (median). This phenomenon might be due to the normality of the vapor concentrationC υ producing the asymmetric distribution of 1/C υ . The median method could perform significantly better than the mean method when inputting high-resolution measurements (e.g., 1 Hz) and when the water vapor concentrationC υ is relatively low. Compared to the mean method, applying the median method could on average reduce 6.88% of ET partitioning uncertainties and could on average reduce 9.00% of moisture recycling uncertainties. This study provided a new insight of the Keeling plot method and emphasized handling model output uncertainty from multiple perspectives instead of only from input parameters.

Meteorology & Atmospheric Sciences↗

DOE OSTI2022

Width-Based Discharge Partitioning in Distributary Networks: How Right We Are

River deltas are home to large populations and can be composed of complex channel networks which convey flows of matter to the shoreline. Knowledge of flow within individual channels is needed to quantify the distribution of discharge across the delta, and thus its sustainability over time. Due to a lack of field measurements at the local channel scale, researchers leverage remote sensing data to estimate the partitioning of flow. We compare data from 15 river deltas to discharge partitioning estimates based on channel network graphs derived from remote sensing imagery. We quantify errors in the common width-based method and test alternative partitioning techniques to find that width-based discharge partitioning is universally applicable, suggesting that absent any site-specific information, discharge partitioning by average channel width is an appropriate approach. We also provide networks, streamflow measurements, and flux partitioning estimates for 28 delta networks as the Discharge In Distributary NeTworks (DIDNT) dataset.

58 GEOSCIENCES↗

NASA NTRS1988

Domain decomposition preconditioners for the spectral collocation method

Several block iteration preconditioners are proposed and analyzed for the solution of elliptic problems by spectral collocation methods in a region partitioned into several rectangles. It is shown that convergence is achieved with a rate which does not depend on the polynomial degree of the spectral solution. The iterative methods here presented can be effectively implemented on multiprocessor systems due to their high degree of parallelism.

Quarteroni, Alfio↗

NASA NTRS2002

Design of a Dual Waveguide Normal Incidence Tube (DWNIT) Utilizing Energy and Modal Methods

This report investigates the partition design of the proposed Dual Waveguide Normal Incidence Tube (DWNIT). Some advantages provided by the DWNIT are (1) Assessment of coupling relationships between resonators in close proximity, (2) Evaluation of "smart liners", (3) Experimental validation for parallel element models, and (4) Investigation of effects of simulated angles of incidence of acoustic waves. Energy models of the two chambers were developed to determine the Sound Pressure Level (SPL) drop across the two chambers, through the use of an intensity transmission function for the chamber's partition. The models allowed the chamber's lengthwise end samples to vary. The initial partition design (2" high, 16" long, 0.25" thick) was predicted to provide at least 160 dB SPL drop across the partition with a compressive model, and at least 240 dB SPL drop with a bending model using a damping loss factor of 0.01. The end chamber sample transmissions coefficients were set to 0.1. Since these results predicted more SPL drop than required, a plate thickness optimization algorithm was developed. The results of the algorithm routine indicated that a plate with the same height and length, but with a thickness of 0.1" and 0.05 structural damping loss, would provide an adequate SPL isolation between the chambers.

Betts, Juan F.↗

NASA NTRS1999

A New Approach to Parallel Dynamic Partitioning for Adaptive Unstructured Meshes

Classical mesh partitioning algorithms were designed for rather static situations, and their straightforward application in a dynamical framework may lead to unsatisfactory results, e.g., excessive data migration among processors. Furthermore, special attention should be paid to their amenability to parallelization. In this paper, a novel parallel method for the dynamic partitioning of adaptive unstructured meshes is described. It is based on a linear representation of the mesh using self-avoiding walks.

Heber, Gerd↗

DOE OSTI2022

Microbial maintenance energy quantified and modeled with microcalorimetry

Refining the energetic costs of cellular maintenance is essential for predicting microbial growth and survival in the environment. In this work, we evaluate a simple batch culture method to quantify energy partitioning between growth and maintenance using microcalorimetry and thermodynamic modeling. The constants derived from the batch culture system were comparable to those that have been reported from meta-analyses of data derived from chemostat studies. The model accurately predicted temperature-dependent biomass yield and the upper temperature limit of growth for Desulfovibrio alaskensis G20, suggesting the method may have broad application. An Arrhenius temperature dependence for the specific energy consumption rate, inferred from substrate consumption and heat evolution, was observed over the entire viable temperature range. By combining this relationship for specific energy consumption rates and observed specific growth rates, the model describes an increase in nongrowth associated maintenance at higher temperatures and the corresponding decrease in energy available for growth. This analytical and thermodynamic formulation suggests that simply monitoring heat evolution in batch culture could be a useful complement to the recognized limitations of estimating maintenance using extrapolation to zero growth in chemostats.

59 BASIC BIOLOGICAL SCIENCES↗

DOE OSTI2020

OpenABLext: An automatic code generation framework for agent-based simulations on CPU-GPU-FPGA heterogeneous platforms

The execution of agent-based simulations (ABSs) on hardware accelerator devices such as graphics processing units (GPUs) has been shown to offer great performance potentials. However, in heterogeneous hardware environments, it can become increasingly difficult to find viable partitions of the simulation and provide implementations for different hardware devices. To automate this process, we present OpenABLext, an extension to OpenABL, a model specification language for ABSs. By providing a device-aware OpenCL backend, OpenABLext enables the co-execution of ABS on heterogeneous hardware platforms consisting of central processing units, GPUs, and field programmable gate arrays (FPGAs).We present a novel online dispatching method that efficiently profiles partitions of the simulation during run-time to optimize the hardware assignment while using the profiling results to advance the simulation itself. In addition, OpenABLext features automated conflict resolution based on user-specified rules, supports graph-based simulation spaces, and utilizes an efficient neighbor search algorithm. We show the improved performance of OpenABLext and demonstrate the potential of FPGAs in the context of ABS. We illustrate how co-execution can be used to further lower execution times. OpenABLext can be seen as an enabler to tap the computing power of heterogeneous hardware platforms for ABS.

97 MATHEMATICS AND COMPUTING↗