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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 1,747 records · Page 97
All sourcesNASA NTRSDOE OSTI
DOE OSTI2015

THE INFLUENCE OF SPATIAL RESOLUTION ON NONLINEAR FORCE-FREE MODELING

The nonlinear force-free field (NLFFF) model is often used to describe the solar coronal magnetic field, however a series of earlier studies revealed difficulties in the numerical solution of the model in application to photospheric boundary data. We investigate the sensitivity of the modeling to the spatial resolution of the boundary data, by applying multiple codes that numerically solve the NLFFF model to a sequence of vector magnetogram data at different resolutions, prepared from a single Hinode/Solar Optical Telescope Spectro-Polarimeter scan of NOAA Active Region 10978 on 2007 December 13. We analyze the resulting energies and relative magnetic helicities, employ a Helmholtz decomposition to characterize divergence errors, and quantify changes made by the codes to the vector magnetogram boundary data in order to be compatible with the force-free model. This study shows that NLFFF modeling results depend quantitatively on the spatial resolution of the input boundary data, and that using more highly resolved boundary data yields more self-consistent results. The free energies of the resulting solutions generally trend higher with increasing resolution, while relative magnetic helicity values vary significantly between resolutions for all methods. All methods require changing the horizontal components, and for some methods also the vertical components, of the vector magnetogram boundary field in excess of nominal uncertainties in the data. The solutions produced by the various methods are significantly different at each resolution level. We continue to recommend verifying agreement between the modeled field lines and corresponding coronal loop images before any NLFFF model is used in a scientific setting.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2016

Re-evaluation of the Gamma Radiolysis Radiation Chemistry of Neptunium

The reprocessing of spent nuclear fuel by solvent extraction techniques starts with dissolving fuel in concentrated nitric acid (HNO{sub 3}). The resulting radioactive liquor is subjected to multiple stages of solvent extraction to partition desired metal ions (e.g. uranium, plutonium, and neptunium) into an organic phase using specialized extractants. Under process conditions the solvent system is continuously exposed to a high intensity radiation field, which induces radiolytic degradation of both the diluent and extractants. This degradation occurs through the formation of radicals, as well as degradation products. Moreover, both radicals and degradation products can undergo redox chemistry with metal ions within the solvent system. This can be particularly problematic for metals such as neptunium which depend on the maintenance of a particular valence state amenable to complexation by extractants such as tributylphosphate in the PUREX (Plutonium Uranium Redox Extraction) process. Neptunium (Np) is well extracted when it is Np(IV) and Np(VI) but almost unextractable when Np(V). A recently study showed that the radiolysis of Np (VI) in acidic (4 M HNO{sub 3}) solution underwent reduction to Np(V). This reduction only occurred after sufficient production of nitrous acid (HNO{sub 2}) which countered the action of radiolytically-produced oxidizing free radicals (nitrate radical, NO{sub 3}{sup .} and hydroxyl radical, {sup .}OH). This radiation-induced chemistry was successfully modeling using a simplified kinetic model, that included a reaction set for water radiolysis, plus published rate constants for the reactions of free radicals with Np(VI) and Np(V). The most sensitive reaction rate constants were identified in this model, and optimization of the five most sensitive was performed to get excellent model agreement with the experimental data. No Np(IV) was observed or predicted by the model under these conditions. The present research re-evaluates this radiation chemistry of neptunium in aerated aqueous solutions of HNO; by using a far more comprehensive FACSIMILE code. We have also extended this modeling to study the radiolytically-induced Np redox chemistry occurring under multiple other nitric acid acidities, to fully characterize the importance of the oxidizing radical and reducing nitrous acid reactions under a range of conditions relevant to large-scale process conditions. (authors)

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2017

In Situ GIWAXS Analysis of Solvent and Additive Effects on PTB7 Thin Film Microstructure Evolution during Spin Coating

The influence of solvent and processing additives on the pathways and rates of crystalline morphology formation for spin-coated semiconducting PTB7 (poly[[4,8-bis[(2- ethylhexyl)oxy]benzo[1,2-b:4,5-b']dithiophene-2,6-diyl][3-fluoro-2-[(2-ethylhexyl)- carbonyl]-thieno[3,4-b]thiophenediyl]]) thin films is investigated by in situ grazing incident wide angle x-ray scattering (GIWAXS) and optical reflectance, to better understand polymer solar cell (PSC) optimization approaches. In situ characterization of PTB7 film formation from chloroform (CF), chlorobenzene (CB), and 1,2-dichlorobenzene (DCB) solutions, as well as CB solutions with 1% and 3% v/v of the processing additives 1-chloronapthalene (CN), diphenyl ether (DPE), and 1,8-diiodooctane (DIO), reveals multiple crystallization pathways with: i) single-solvent systems exhibiting rapid (<3s) crystallization after a solvent boiling point-dependent film thinning transition, ii) solvent + additive systems exhibiting different crystallization pathways and crystallite formation times from minutes (CN, DPE) to 2 1.5 hours (DIO). Here, identifying crystalline intermediates has implications for bulk-heterojunction PSC morphology optimization via optimized spin-casting processes.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Decarbonizing the grid: Utilizing demand-side flexibility for carbon emission reduction through locational marginal emissions in distribution networks

Decarbonization of the electric grid has become an important world-wide priority and is actively happening in many ways by introducing innovations and new technologies from the generation sectors to the demand sectors. In particular, one promising pathway toward such net-zero carbon emissions is to utilize the demand-side flexibility with the increasing number of flexible loads in distribution networks. In this paper, we explore a load shifting strategy with the emerging concept of location marginal emissions (LMEs) to reduce carbon emissions. LMEs measure the impact of carbon emissions including the locational aspect in more granular way and thus provide a novel mechanism for the system operator and load aggregators to design the LME-based load shifting strategy, which can efficiently guide consumers and thus adjust their consumption behaviors. Simulation case studies on the IEEE test networks are performed to validate the capability of the proposed load shifting method to reduce carbon emissions. We also compare this with other relevant strategies to discuss multiple scenarios and corresponding results. Finally, while each provides a different level of flexibility, all the explored strategies tested have led to solutions that have lower carbon emissions, indicating the great potential of demand-side flexibility in reducing carbon emissions for future distribution networks.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗
DOE OSTI2021

An integrated numerical model for coupled poro-hydro-mechanics and fracture propagation using embedded meshes

Integrated models for fluid-driven fracture propagation and general multiphase flow in porous media are valuable to the study and engineering of several systems, including hydraulic fracturing, underground disposal of waste, and geohazard mitigation across such applications. This work extends the coupled model multiphase flow and poromechanical model of Ren et al. (2018) to admit fracture propagation (FP). The coupled XFEM-EDFM scheme utilizes a separate fracture mesh that is embedded on a static background mesh. The onset and dynamics of fracture propagation are governed by the equivalent stress intensity factor (SIF) criterion. A domain-integral method (J integral) is applied to compute this information. Additionally, an adaptive time-marching scheme is proposed to rapidly restrict and grow temporal resolution to match the underlying time-scales. The proposed model is verified with analytical solutions, and shows the capability to accurately and adaptively co-simulate fluid transport and deformation as well as the propagation of multiple fractures.

42 ENGINEERING↗
DOE OSTI2016

An efficient and portable SIMD algorithm for charge/current deposition in Particle-In-Cell codes

In current computer architectures, data movement (from die to network) is by far the most energy consuming part of an algorithm (≈20pJ/word on-die to ≈10,000 pJ/word on the network). To increase memory locality at the hardware level and reduce energy consumption related to data movement, future exascale computers tend to use many-core processors on each compute nodes that will have a reduced clock speed to allow for efficient cooling. To compensate for frequency decrease, machine vendors are making use of long SIMD instruction registers that are able to process multiple data with one arithmetic operator in one clock cycle. SIMD register length is expected to double every four years. As a consequence, Particle-In-Cell (PIC) codes will have to achieve good vectorization to fully take advantage of these upcoming architectures. In this paper, we present a new algorithm that allows for efficient and portable SIMD vectorization of current/charge deposition routines that are, along with the field gathering routines, among the most time consuming parts of the PIC algorithm. Our new algorithm uses a particular data structure that takes into account memory alignment constraints and avoids gather/scat;ter instructions that can significantly affect vectorization performances on current CPUs. The new algorithm was successfully implemented in the 3D skeleton PIC code PICSAR and tested on Haswell Xeon processors (AVX2-256 bits wide data registers). Results show a factor of ×2 to ×2.5 speed-up in double precision for particle shape factor of orders 1–3. The new algorithm can be applied as is on future KNL (Knights Landing) architectures that will include AVX-512 instruction sets with 512 bits register lengths (8 doubles/16 singles). Program summary Program Title: vec_deposition Program Files doi:http://dx.doi.org/10.17632/nh77fv9k8c.1 Licensing provisions: BSD 3-Clause Programming language: Fortran 90 External routines/libraries: OpenMP > 4.0 Nature of problem: Exascale architectures will have many-core processors per node with long vector data registers capable of performing one single instruction on multiple data during one clock cycle. Data register lengths are expected to double every four years and this pushes for new portable solutions for efficiently vectorizing Particle-In-Cell codes on these future many-core architectures. One of the main hotspot routines of the PIC algorithm is the current/charge deposition for which there is no efficient and portable vector algorithm. Solution method: Here we provide an efficient and portable vector algorithm of current/charge deposition routines that uses a new data structure, which significantly reduces gather/scatter operations. Vectorization is controlled using OpenMP 4.0 compiler directives for vectorization which ensures portability across different architectures. Restrictions: Here we do not provide the full PIC algorithm with an executable but only vector routines for current/charge deposition. These scalar/vector routines can be used as library routines in your 3D Particle-In-Cell code. However, to get the best performances out of vector routines you have to satisfy the two following requirements: (1) Your code should implement particle tiling (as explained in the manuscript) to allow for maximized cache reuse and reduce memory accesses that can hinder vector performances. The routines can be used directly on each particle tile. (2) You should compile your code with a Fortran 90 compiler (e.g Intel, gnu or cray) and provide proper alignment flags and compiler alignment directives (more details in README file).

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2019

Evolution of Ionomer Morphology from Dispersion to Film: An in Situ X-ray Study

Ion-conducting polymers (ionomers) have been extensively studied in solution, as membranes and substrate-supported thin films for various electrochemical energy-conversion devices, including fuel cells and electrolyzers. Formation of an ionomer film from a solution, however, is not well understood, despite its importance for fabrication of electrodes in energy devices. Here, the evolution of the perfluorinated sulfonic acid morphology upon casting from a solution is observed using in situ grazing-incidence small- and wide-angle X-ray scattering. Aggregate interactions in dispersion directly impact the hydrophilic-domain network of the cast film and the onset of crystallization occurs simultaneously with the solution-to-film transition but continues to evolve on different time scales. In addition, confinement is shown to induce anisotropic morphology at multiple length scales. These results show promise for elucidating the role of casting parameters, drying protocols, and ionomer-solvent interactions in governing film morphology and open new avenues for establishing structure/processing/property relationships for ionomer films and modifying their transport functionality at catalytic interfaces.

30 DIRECT ENERGY CONVERSION↗
DOE OSTI2020

Can N95 Respirators Be Reused after Disinfection? How Many Times?

The coronavirus disease 2019 (COVID-19) pandemic has led to a major shortage of N95 respirators, which are essential for protecting healthcare professionals and the general public who may come into contact with the virus. Thus, it is essential to determine how we can reuse respirators and other personal protective equipment in these urgent times. We investigated multiple commonly used disinfection schemes on media with particle filtration efficiency of 95%. Heating was recently found to inactivate the virus in solution within 5 min at 70 °C and is among the most scalable, user-friendly methods for viral disinfection. We found that heat (≤85 °C) under various humidities (≤100% relative humidity, RH) was the most promising, nondestructive method for the preservation of filtration properties in meltblown fabrics as well as N95-grade respirators. At 85 °C, 30% RH, we were able to perform 50 cycles of heat treatment without significant changes in the filtration efficiency. At low humidity or dry conditions, temperatures up to 100 °C were not found to alter the filtration efficiency significantly within 20 cycles of treatment. Ultraviolet (UV) irradiation was a secondary choice, which was able to withstand 10 cycles of treatment and showed small degradation by 20 cycles. However, UV can potentially impact the material strength and subsequent sealing of respirators. Finally, treatments involving liquids and vapors require caution, as steam, alcohol, and household bleach all may lead to degradation of the filtration efficiency, leaving the user vulnerable to the viral aerosols.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2016

Potassium doping: Tuning the optical properties of graphene quantum dots

Doping with hetero-atoms is an effective way to tune the properties of graphene quantum dots (GQDs). Here, potassium-doped GQDs (K-GQDs) are synthesized by a one-pot hydrothermal treatment of sucrose and potassium hydroxide solution. Optical properties of the GQDs are altered as a result of K-doping. The absorption peaks exhibit a blue shift. Multiple photoluminescence (PL) peaks are observed as the excitation wavelength is varied from 380 nm to 620 nm. New energy levels are introduced into the K-GQDs and provide alternative electron transition pathways. The maximum PL intensity of the K-GQDs is obtained at an excitation wavelength of 480 nm which is distinct from the undoped GQDs (375 nm). The strong PL of the K-GQDs at the longer emission wavelengths is expected to make K-GQDs more suitable for bioimaging and optoelectronic applications.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2016

Effective Padding of Multi-Dimensional Arrays to Avoid Cache Conflict Misses

Caches are used to significantly improve performance. Even with high degrees of set-associativity, the number of accessed data elements mapping to the same set in a cache can easily exceed the degree of associativity, causing conflict misses and lowered performance, even if the working set is much smaller than cache capacity. Array padding (increasing the size of array dimensions) is a well known optimization technique that can reduce conflict misses. In this paper, we develop the first algorithms for optimal padding of arrays for a set associative cache for arbitrary tile sizes, In addition, we develop the first solution to padding for nested tiles and multi-level caches. The techniques are in implemented in PAdvisor tool. Experimental results with multiple benchmarks demonstrate significant performance improvement from use of PAdvisor for padding.

array padding↗
DOE OSTI2024

High-Throughput Computing: Case Study of Medical Image Processing Applications

HPC is designed for large-scale simulations using monolithic codes of tightly coupled processes highly optimized to deliver decreased time to solution. Medical image processing is not a traditional field of HPC. Similar to AI applications, medical image processing parses large datasets, typically multiple times, to support a variety of studies for classification, diagnosis or monitoring purposes. The convergence of AI, HPC and Big Data encouraged more fields using image processing to transition to HPC. However, not all applications benefit from the same optimizations. In this paper we focus on high throughput medical image processing applications that analyze a huge dataset of small MRI images and that require HPC systems to decrease the time of parsing the entire dataset and not individual MRIs. We show in this research the performance of running SLANT, an image processing application for a whole brain segmentation, on large-scale systems and highlight performance limitations. We present optimizations prioritizing throughput that exhibit a 3.5x speed-up on the Summit Supercomputer that can be used as a baseline for building a high-throughput execution framework for other HPC systems.

Predescu, Maria↗
DOE OSTI2017

Feasibility Evaluation of Potential Stimulation Methods for Collab Experiment 3. Recommendation Report

In support of the Collab Project Milestone 1.4, INL is to submit a recommendation report describing feasible methods to investigate during Experiment 3 to DOE. This report fulfils this FY18Q1 SMART milestone. Twenty one potential methods were consideration for testing as part of Collab Experiment 3. The potential methods have been categorized as; Fracture Initiation, Stimulation Fluids, Stimulation Methods and Flow Control. The categories have been further divided into three general groups (e.g. high, medium, low) based on applicability to the scale of measurement at Collab (~10 meter) and it’s applicably to FORGE. The highest relevant methods (not necessary in order) are: 1) fracture initiation within the borehole, 2) use of slickwater fracturing fluids, 3) use of viscous fracturing fluids, 4) simultaneous stimulation of multiple wells, 5) use of energetic fluids to initiate larger fractures or connect a borehole to existing fractures, 6) injection of diverters to control short circuits and working fluid loss, 7) testing of borehole isolation techniques to control water flow pathways in the reservoir, and 8) use of multiple injection and production wells to characterize a fracture. Fractures created in Experiments 1 and 2 offer the opportunity to test engineering solutions to issues encountered in the stimulation process or during the fracture flow testing. An advantage of using these sites is that there would be a wealth of baseline characterization data for the site, and the borehole monitoring system and experimental infrastructure is already established and could possibly be reused. This suggested potential method list should be considered preliminary due to the timing of this report and the status of Collab Experiments 1 and 2 as well as the need for preliminary modeling to assess each of the proposed methods effectiveness.

15 GEOTHERMAL ENERGY↗
DOE OSTI2026

All-Polyester Multilayer Plastics (‘All-Polyester MLPs’): A Redesign for Inherently Recyclable Plastics

Multilayer plastics (MLPs) are widely used in modern packaging because they combine multiple functions such as oxygen and moisture barriers, mechanical strength, puncture resistance, and heat sealability into lightweight and cost-effective packaging solutions. These attributes are essential for food, beverage, pharmaceutical, and consumer goods packaging. However, conventional commercial MLPs typically consist of five to twelve layers made from chemically incompatible materials, including polyolefins, polyethylene terephthalate, nylon, ethylene-vinyl alcohol (EVOH), adhesives, and tie layers. This complexity makes MLPs extremely difficult to recycle. As a result, the vast majority of multilayer plastics (MLPs) are disposed of through landfilling or incineration. This disposal pathway perpetuates demand for virgin material production, thereby driving high industrial energy consumption, increasing greenhouse gas (GHG) emissions, and contributing to the long-term accumulation of plastic waste. The scope of work included: (1) Design and fabrication of all-polyester multilayer structures using commercially relevant processing methods; (2) Experimental validation of barrier, mechanical, and sealing performance; (3) Demonstration of both mechanical and chemical recycling pathways; and (4) Comprehensive techno-economic analysis (TEA) and life-cycle assessment (LCA) to quantify cost, energy, and environmental impacts.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Metrics for Intercomparison of Remapping Algorithms (MIRA) protocol applied to Earth system models

Abstract. Strongly coupled nonlinear phenomena such as those described by Earth system models (ESMs) are composed of multiple component models with independent mesh topologies and scalable numerical solvers. A common operation in ESMs is to remap or interpolate component solution fields defined on their computational mesh to another mesh with a different combinatorial structure and decomposition, e.g., from the atmosphere to the ocean, during the temporal integration of the coupled system. Several remapping schemes are currently in use or available for ESMs. However, a unified approach to compare the properties of these different schemes has not been attempted previously. We present a rigorous methodology for the evaluation and intercomparison of remapping methods through an independently implemented suite of metrics that measure the ability of a method to adhere to constraints such as grid independence, monotonicity, global conservation, and local extrema or feature preservation. A comprehensive set of numerical evaluations is conducted based on a progression of scalar fields from idealized and smooth to more general climate data with strong discontinuities and strict bounds. We examine four remapping algorithms with distinct design approaches, namely ESMF Regrid (Hill et al., 2004), TempestRemap (Ullrich and Taylor, 2015), generalized moving least squares (GMLS) (Trask and Kuberry, 2020) with post-processing filters, and WLS-ENOR (Li et al., 2020). By repeated iterative application of the high-order remapping methods to the test fields, we verify the accuracy of each scheme in terms of their observed convergence order for smooth data and determine the bounded error propagation using challenging, realistic field data on both uniform and regionally refined mesh cases. In addition to retaining high-order accuracy under idealized conditions, the methods also demonstrate robust remapping performance when dealing with non-smooth data. There is a failure to maintain monotonicity in the traditional L2-minimization approaches used in ESMF and TempestRemap, in contrast to stable recovery through nonlinear filters used in both meshless GMLS and hybrid mesh-based WLS-ENOR schemes. Local feature preservation analysis indicates that high-order methods perform better than low-order dissipative schemes for all test cases. The behavior of these remappers remains consistent when applied on regionally refined meshes, indicating mesh-invariant implementations. The MIRA intercomparison protocol proposed in this paper and the detailed comparison of the four algorithms demonstrate that the new schemes, namely GMLS and WLS-ENOR, are competitive compared to standard conservative minimization methods requiring computation of mesh intersections. The work presented in this paper provides a foundation that can be extended to include complex field definitions, realistic mesh topologies, and spectral element discretizations, thereby allowing for a more complete analysis of production-ready remapping packages.

58 GEOSCIENCES↗
NASA NTRS1976

Numerical studies of three-dimensional breakdown in trailing vortex wakes

The development of dangerous vortex wakes trailing between aircraft for appreciable distance downstream, and posing hazards to following aircraft, is calculated using finite-element three-dimensional relaxation methods. Near-wake, middle-wake, and far-wake conditions are delineated. Vortex system finite lifetimes can be calculated with greater facility owing to the inclusion of a self-induction term in the solution dependent upon local curvature and vortex core radius. Looping and convergence phenomena are studied for single vortex pairs, twin pairs, and multiple pairs. Proportions of flap span and wing span are shown to affect the time to convergence of vortex pairs. The self-induction term renders the convergence time of vortices a sensitive function of wavelength. Wakes trailing between wide-body ('Jumbo') aircraft are also examined.

Hackett, J. E.↗
NASA NTRS1981

Role of the doubly stochastic Neyman type-A and Thomas counting distributions in photon detection

The sums of Meyman type-A and Thomas random variables are shown to retain their form under the constant multiplication parameter constraint. The conditions under which the two random variables converge in distribution to the fixed multiplicative Poisson, and to the Gaussian, are presented. It is shown that the latter result is important, in that it provides a solution to likelihood-ratio detection, estimation and discrimination problems in the presence of many kinds of signal and noise. Among the explicit applications presented are: (1) the photon-counter scintillation detection of nuclear particles when particle flux is low, (2) the photon-counting detection of weak optical signals in the presence of ionizing radiation, and (3) the design of a star-scanner spacecraft guidance system adequate for hostile space environments.

Teich, M. C.↗
NASA NTRS1987

Implementation of a block Lanczos algorithm for Eigenproblem solution of gyroscopic systems

The details of implementation of a general numerical procedure developed for the accurate and economical computation of natural frequencies and associated modes of any elastic structure rotating along an arbitrary axis are described. A block version of the Lanczos algorithm is derived for the solution that fully exploits associated matrix sparsity and employs only real numbers in all relevant computations. It is also capable of determining multiple roots and proves to be most efficient when compared to other, similar, exisiting techniques.

Gupta, Kajal K.↗
NASA NTRS1987

Implementation of a block Lanczos algorithm for eigenproblem solution of gyroscopic systems

This paper describes the details of implementation of a general numerical procedure developed for the accurate and economical computation of natural frequencies and associated modes of any elastic structure rotating along an arbitrary axis. A block version of the Lanczos algorithm is derived for the solution that fully exploits associated matrix sparsity and employs only real numbers in all relevant computations. It is also capable of determining multiple roots and proves to be most efficient when compared to other, similar, existing techniques.

Gupta, K. K.↗