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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 865 records · Page 48
All sourcesNASA NTRSDOE OSTI
DOE OSTI2014

Dynamic recrystallization and texture evolution of Mg–Y–Zn alloy during hot extrusion process

The microstructure and texture evolution of Mg{sub 98.5}Y{sub 1}Zn{sub 0.5} and Mg{sub 92.5}Y{sub 5}Zn{sub 2.5} (atomic percent) alloys during hot extrusion were systematically investigated. The coarse LPSO phases with higher volume fraction (∼ 57%) suppressed the twinning generation in the initial stage of extrusion, and accelerated the dynamic recrystallization through the particle deformation zones. Therefore, the volume fraction of DRXed grains in as-extruded Mg{sub 92.5}Y{sub 5}Zn{sub 2.5} alloy was much higher than that of Mg{sub 98.5}Y{sub 1}Zn{sub 0.5} alloy. The intensive recrystallization process resulted in the conventional basal texture weakening, although the texture evolution was mainly dominated by flow behavior. The dynamic recrystallization behavior in Mg{sub 92.5}Y{sub 5}Zn{sub 2.5} alloy restricted the formation of deformation texture, and thus the more random texture was observed during the whole extrusion process. - Highlights: • The densely coarse LPSO phases suppressed the twinning deformation. • Coarse LPSO phases induced the particle stimulated nucleation effect. • Dynamic recrystallization resulted in the basal texture weakening effect.

36 MATERIALS SCIENCE↗
DOE OSTI2017

Assessment of the Idaho National Laboratory Remote-Handled Low-Level Waste Disposal Facility Vault Concrete Data

This document provides a summary of the concrete performance data collected during vault fabrication and installation. The report includes the process by which quality data was collected during vault fabrication and installation, the inspection requirements, and a summary of resulting test data with the potential to impact vault system durability. This report also includes quantitative data collected on cured concrete samples poured for random concrete batches throughout the concrete component fabrication process. Quantitative data includes total porosity, bulk density, absorption, effective porosity, and gas-phase permeability. Chloride diffusivity data collected during the concrete mix selection process are also included for completeness. Data shows that the vault quality assurance program resulted in components received insignificant defects and damaged areas during the fabrication stage and during the vault installation stage. Data collected on the cured concrete samples show the gas-phase permeability and effective porosity are slightly higher than the data used to select the concrete mix designs.

99 GENERAL AND MISCELLANEOUS↗
NASA NTRS1989

On the stability of robotic systems with random communication rates

Control problems of sampled data systems which are subject to random sample rate variations and delays are studied. Due to the rapid growth of the use of computers more and more systems are controlled digitally. Complex systems such as space telerobotic systems require the integration of a number of subsystems at different hierarchical levels. While many subsystems may run on a single processor, some subsystems require their own processor or processors. The subsystems are integrated into functioning systems through communications. Communications between processes sharing a single processor are also subject to random delays due to memory management and interrupt latency. Communications between processors involve random delays due to network access and to data collisions. Furthermore, all control processes involve delays due to casual factors in measuring devices and to signal processing. Traditionally, sampling rates are chosen to meet the worst case communication delay. Such a strategy is wasteful as the processors are then idle a great proportion of the time; sample rates are not as high as possible resulting in poor performance or in the over specification of control processors; there is the possibility of missing data no matter how low the sample rate is picked. Asymptotical stability with probability one for randomly sampled multi-dimensional linear systems is studied. A sufficient condition for the stability is obtained. This condition is so simple that it can be applied to practical systems. A design procedure is also shown.

Kobayashi, H.↗
DOE OSTI2025

Quantification and prediction of solidification textures under additive manufacturing conditions

Crystallographic textures are a major determinant of the macroscale anisotropic properties of polycrystalline metallic alloys produced in a wide range of additive manufacturing (AM) processes. Here, we introduce a statistical method that can accurately quantify the degree of orientational order of textures despite the large random fluctuations in the orientation of individual grains inherent in AM processes. The method, demonstrated for laser and resolidification of AlSi thin films, extends Z-scoring to a dynamical regime to assess the statistical significance of observed textures compared to randomly generated ones at different stages of solidification. We further show that, combined with phase-field modeling, this method can be used to infer fundamental anisotropic properties of the solid-liquid interface that are essential for texture prediction, and are compared here to the results of atomistic simulations. In addition, phase-field modeling reveals that, even at rapid AM solidification rates, the observed 〈110〉-dominated textures in the AlSi thin films are controlled predominantly by the anisotropy of the interface free-energy and sheds light on the physical mechanism of grain competition. These results significantly enhance both the existing tools for the quantification and prediction of AM crystallographic textures and our basic understanding of their formation.

36 MATERIALS SCIENCE↗
DOE OSTI2017

Electrically driven deep ultraviolet MgZnO lasers at room temperature

Semiconductor lasers in the deep ultraviolet (UV) range have numerous potential applications ranging from water purification and medical diagnosis to high-density data storage and flexible displays. Nevertheless, very little success was achieved in the realization of electrically driven deep UV semiconductor lasers to date. Here, we report the fabrication and characterization of deep UV MgZnO semiconductor lasers. These lasers are operated with continuous current mode at room temperature and the shortest wavelength reaches 284 nm. The wide bandgap MgZnO thin films with various Mg mole fractions were grown on c-sapphire substrate using radio-frequency plasma assisted molecular beam epitaxy. Metal-semiconductor-metal (MSM) random laser devices were fabricated using lithography and metallization processes. Besides the demonstration of scalable emission wavelength, very low threshold current densities of 29-33 A/cm 2 are achieved. Furthermore, numerical modeling reveals that impact ionization process is responsible for the generation of hole carriers in the MgZnO MSM devices. The interaction of electrons and holes leads to radiative excitonic recombination and subsequent coherent random lasing.

36 MATERIALS SCIENCE↗
DOE OSTI2014

Study on the thermal resistance in secondary particles chain of silica aerogel by molecular dynamics simulation

In this article, molecular dynamics simulation was performed to study the heat transport in secondary particles chain of silica aerogel. The two adjacent particles as the basic heat transport unit were modelled to characterize the heat transfer through the calculation of thermal resistance and vibrational density of states (VDOS). The total thermal resistance of two contact particles was predicted by non-equilibrium molecular dynamics simulations (NEMD). The defects were formed by deleting atoms in the system randomly first and performing heating and quenching process afterwards to achieve the DLCA (diffusive limited cluster-cluster aggregation) process. This kind of treatment showed a very reasonable prediction of thermal conductivity for the silica aerogels compared with the experimental values. The heat transport was great suppressed as the contact length increased or defect concentration increased. The constrain effect of heat transport was much significant when contact length fraction was in the small range (<0.5) or the defect concentration is in the high range (>0.5). Also, as the contact length increased, the role of joint thermal resistance played in the constraint of heat transport was increasing. However, the defect concentration did not affect the share of joint thermal resistance as the contact length did. VDOS of the system was calculated by numerical method to characterize the heat transport from atomic vibration view. The smaller contact length and greater defect concentration primarily affected the longitudinal acoustic modes, which ultimately influenced the heat transport between the adjacent particles.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2018

Integration of historical map and aerial imagery to characterize long-term land-use change and landscape dynamics: An object-based analysis via Random Forests

Tracking Earth’s past helps us to move from hindsight to foresight in seeking landscape sustainability, a pursuit aided by modern mapping capabilities but hindered by a dearth of historical landscape information. To fill the data gap and exemplify the use of old map for land-use change sciences, we combined a paper-based US civil war map and aerial photos to derive land-use history and landscape dynamics at fine scales for a region near Chancellorsville, VA, USA, from 1867 to 2014. We also tested how advanced algorithms—object-based analysis and random forests (RF)—could aid in data processing. Automatic classification of the 1867 map proved difficult, but its manual digitization could benefit from object-based image segmentation. Classifying digital aerial images was more accurate via the object-based than pixel-based method, but only if the images were segmented appropriately. In the object-based classification, spectral-based features were much more important than shape/geometry features, as ranked by RF. During the 147 years, 32% of the region changed in land type. Settlement and roads increased in extent by 1850% and 691%, respectively, and woodland decreased by 19%. These changes fragmented the landscape, altered the hydrological regime, and affected river morphology. The utility of old maps exemplified here provides an impetus for exploring and leveraging extant old maps or historical records to support land-use and global change research. Our study also connotes the importance of geotagging current data, such as photos and videos, that may serve as a baseline to document future landscape change.

Historical map, object-based, Random Forests, old ↗
DOE OSTI2017

Modeling and Simulation of High Dimensional Stochastic Multiscale PDE Systems at the Exascale

The thrust of the proposal was to exploit modern data-mining tools in a way that will create a systematic, computer-assisted approach to the representation of random media -- and also to the representation of the solutions of an array of important physicochemical processes that take place in/on such media. A parsimonious representation/parametrization of the random media links directly (via uncertainty quantification tools) to good sampling of the distribution of random media realizations. It also links directly to modern multiscale computational algorithms (like the equation-free approach that has been developed in our group) and plays a crucial role in accelerating the scientific computation of solutions of nonlinear PDE models (deterministic or stochastic) in such media – both solutions in particular realizations of the random media, and estimation of the statistics of the solutions over multiple realizations (e.g. expectations).

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2014

Ignition probability of polymer-bonded explosives accounting for multiple sources of material stochasticity

Accounting for the combined effect of multiple sources of stochasticity in material attributes, we develop an approach that computationally predicts the probability of ignition of polymer-bonded explosives (PBXs) under impact loading. The probabilistic nature of the specific ignition processes is assumed to arise from two sources of stochasticity. The first source involves random variations in material microstructural morphology; the second source involves random fluctuations in grain-binder interfacial bonding strength. The effect of the first source of stochasticity is analyzed with multiple sets of statistically similar microstructures and constant interfacial bonding strength. Subsequently, each of the microstructures in the multiple sets is assigned multiple instantiations of randomly varying grain-binder interfacial strengths to analyze the effect of the second source of stochasticity. Critical hotspot size-temperature states reaching the threshold for ignition are calculated through finite element simulations that explicitly account for microstructure and bulk and interfacial dissipation to quantify the time to criticality (t{sub c}) of individual samples, allowing the probability distribution of the time to criticality that results from each source of stochastic variation for a material to be analyzed. Two probability superposition models are considered to combine the effects of the multiple sources of stochasticity. The first is a parallel and series combination model, and the second is a nested probability function model. Results show that the nested Weibull distribution provides an accurate description of the combined ignition probability. The approach developed here represents a general framework for analyzing the stochasticity in the material behavior that arises out of multiple types of uncertainty associated with the structure, design, synthesis and processing of materials.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2020

Explaining persistent incomplete mixing in multicomponent reactive transport with Eulerian stochastic model

We present an Eulerian stochastic advection–diffusion–reaction (SADR) model and use it to explain incomplete mixing typically observed in transport experiments with bimolecular reactions. Unlike traditional advection– dispersion–reaction (ADR) models, the SADR model describes mechanical and diffusive mixing as two separate processes. In the SADR model, mechanical mixing is driven by random advective velocity whose variance is given by the coefficient of mechanical dispersion. The diffusive mixing is modeled as a Fickian diffusion process with the effective diffusion coefficient. We demonstrate that the sum of the two coefficients is equal to the dispersion coefficient, but only the effective diffusion coefficient contributes to the mixing-controlled reactions. We use experimental results of Gramling et al. * * to show that for transport and bimolecular reactions in porous media, the SADR model is significantly more accurate than the ADR model, which overestimates the concentration of the reaction product by as much as 60%. We also show that the SADR model predicts an experimentally observed bell- shaped spatial distribution of the reactive product concentration, while the ADR model results in a concentration distribution with an unphysical kink.

Bimolecular reactions, incomplete mixing, Stochast↗
DOE OSTI2019

Accumulation-Driven Surfactant-Free Synthesis of Architectured Immiscible Metallic Nanoalloys with Enhanced Catalysis

Accumulation-mediated chemical reactions are a ubiquitous phenomenon in nature. In this work, we explore microbubble-induced accumulation of precursor ions to achieve surfactant-free synthesis of immiscible metallic nanoalloys and simultaneously pattern the nanoalloys into targeted architectures for their enhanced catalytic applications. Additionally, our unified spatiotemporal synthesis and structuring (US3) strategy, whereby millisecond-scale accumulation of the ions takes place in a highly confined laser-mediated microbubble trap (MBT), drives ultrafast alloy synthesis in sync with the structuring process. As a case in point, we employ the US3 strategy for the in situ surfactant-free synthesis and patterning of traditionally immiscible rhodium-gold (RhAu) nanoalloys. Stochastic random walk simulations justify the millisecond-scale accumulation process, leading to a 3-order reduction in synthesis time. The catalytic activity and structure-property relationship were evaluated using the reduction of p-nitrophenol with NaBH4. Our in situ synthesis and structuring strategy can be translated for high-throughput production and screening of multimetallic systems with tailored catalytic, optoelectronic, and magnetic functions.

36 MATERIALS SCIENCE↗
NASA NTRS2008

Simulation of Stochastic Processes by Coupled ODE-PDE

A document discusses the emergence of randomness in solutions of coupled, fully deterministic ODE-PDE (ordinary differential equations-partial differential equations) due to failure of the Lipschitz condition as a new phenomenon. It is possible to exploit the special properties of ordinary differential equations (represented by an arbitrarily chosen, dynamical system) coupled with the corresponding Liouville equations (used to describe the evolution of initial uncertainties in terms of joint probability distribution) in order to simulate stochastic processes with the proscribed probability distributions. The important advantage of the proposed approach is that the simulation does not require a random-number generator.

Zak, Michail↗
NASA NTRS1978

Dynamics of planetesimal formation and planetary accretion

The paper reviews the dynamical processes by which condensed matter in the solar nebula accumulates into planets. The basic processes are: (1) gravitational instability; (2) conversion of the radial gradient of orbital motion into random motion between planetesimals; and (3) collisions, which damp the random motion and result in aggregation and/or fragmentation of planetesimals. Each of these processes is defined analytically, and models, based on these results, of planetary growth, axial rotation rates, and formation of satellite systems are formulated.

Harris, A. W.↗
DOE OSTI2014

Internal structure of the nanogratings generated inside bulk fused silica by ultrafast laser direct writing

The aim of the present work was to characterize the internal structure of nanogratings generated inside bulk fused silica by ultrafast laser processing and to study the influence of diluted hydrofluoric acid etching on their structure. The nanogratings were inscribed at a depth of 100 μm within fused silica wafers by a direct writing method, using 1030 nm radiation wavelength and the following processing parameters: E = 5 μJ, τ = 560 fs, f = 10 kHz, and v = 100 μm/s. The results achieved show that the laser-affected regions are elongated ellipsoids with a typical major diameter of about 30 μm and a minor diameter of about 6 μm. The nanogratings within these regions are composed of alternating nanoplanes of damaged and undamaged material, with an average periodicity of 351 ± 21 nm. The damaged nanoplanes contain nanopores randomly dispersed in a material containing a large density of defects. These nanopores present a roughly bimodal size distribution with average dimensions for each class of pores 65 ± 20 × 16 ± 8 × 69 ± 16 nm{sup 3} and 367 ± 239 × 16 ± 8 × 360 ± 194 nm{sup 3}, respectively. The number and size of the nanopores increases drastically when an hydrofluoric acid treatment is performed, leading to the coalescence of these voids into large planar discontinuities parallel to the nanoplanes. The preferential etching of the damaged material by the hydrofluoric acid solution, which is responsible for the pores growth and coalescence, confirms its high defect density.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2022

Improving the performance of PM6 donor polymer by random ternary copolymerization of BDD and DTBT segments

Developing high-performance wide bandgap polymer donors to match the rapidly growing non-fullerene small molecule acceptors (NF-SMAs) is of great importance to further improve the photovoltaic performances of organic solar cells (OSCs). PM6 and D18 are two leading wide bandgap donor polymers, but their performances are highly sensitive to the molecular weights, which have distinct impact on the morphology and thereby the charge generation and recombination processes. Here, in this work, we reported the random ternary copolymerization of PM6 and D18 segments to develop random terpolymers with finely tuned photoelectronic properties and optimized blend morphology for high-performance OSCs. The resulting random terpolymers (PMD-5, PMD-10, PMD-15 and PMD-20) exhibited finely tuned absorptions, energy levels and blend morphology. The optimal morphology of PMD-15:L8-BO contributed to the fast exciton diffusion and dissociation, efficient charge extraction with suppressed recombination. Thus, the power conversion efficiency was improved from 17.22% of the control PM6 devices and 17.47% of the control D18 devices to 18.12% of PMD-15 based devices, which is the top performance of random terpolymers. Moreover, the PMD-15 exhibited much higher batch-to-batch reproducibility at a broad molecular weight range than that of PM6 and D18, showing promising for practical applications.

36 MATERIALS SCIENCE↗
DOE OSTI2017

Experimental and Modeling Studies for the Removal of Crystal Violet Dye from Aqueous Solutions using Eco-friendly Gracilaria corticata Seaweed Activated Carbon/Zn/Alginate Polymeric Composite Beads

This research article describes, an eco-friendly activated carbon prepared from the Gracilaria corticata seaweeds which was employed for the preparation of biodegradable polymeric beads for the efficient removal of crystal violet dye in an aqueous solution. The presence of chemical functional groups in the adsorbent material was detected using FTIR spectroscopy. The morphology and physical phases of the adsorbent materials were analyzed using SEM and XRD studies respectively. Batch mode dye adsorption behavior of the activated carbon/Zn/alginate polymeric beads was investigated as a function of dosage, solution pH, contact time, initial dye concentration and temperature. Maximum dye removal was observed at a pH of 5.0, 1 g of adsorbent dosage with 60 mg/L dye concentration, 50 min of contact time and at 30 °C. The equilibrium modeling studies were analyzed with Freundlich and Langmuir adsorption isotherms and the adsorption dynamics was predicted with Lagergren’s pseudo-first order, pseudo-second order equations and intra particle diffusion models. The process of dye removal followed a pseudo second-order kinetics rather than pseudo first order. The thermodynamic parameters like standard Gibbs free energy change (ΔG°), enthalpy change (ΔH°) and entropy change (ΔS°) were determined and the results imply that the adsorption process was spontaneous, endothermic and increases the randomness between the adsorbent and adsorbate. The results from the experimental and correlation data reveal that the Gracilaria corticata activated carbon/Zn/alginate polymeric beads have proved to be an excellent adsorbent material for the removal of CV dye.

36 MATERIALS SCIENCE↗
DOE OSTI2018

Wetting and Interfacial Reactivity of Zn-Coated Steel Products with Cu-Si, Cu-Sn and Al-Si Filler Metals for Laser Brazing Application

The laser brazing process is successfully applied in automotive industry for joining of roofs and hatchbacks of vehicles. The bad wetting of the brazing alloy during the process can lead to the formation of random external porosities which are not allowed on visible parts. This paper describes the wettability and reactivity mechanisms at short contact time of Cu and Al matrix brazing alloys with different reactive elements (Si, Sn) on different steel products such as hot-dip galvanized steels, galvannealed steel and bare steel. Wetting experiments were carried out by the dispensed drop technique. The effects of alloying elements and brazing alloy matrix on interfacial reactivity are discussed. It was found that Cu matrix containing 3 wt.% Si is the most favorable for short time liquid/solid adhesion relatively to the other studied brazing alloy compositions. The brazing ability of different steel products is well correlated with the wettability and interfacial reactivity results.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Piston geometry and stroke optimization for high efficiency propane spark ignition engines

Propane has unique properties and offers interesting characteristics for high-efficiency spark ignition engines. Its high volatility reduces or completely eliminates fuel-wall wetting and facilitates fuel air mixing. Furthermore, propane has a research octane number of 112 and a high octane sensitivity of 15. Finally, its laminar flame speed is on the same order as that of conventional gasoline, and it exhibits high dilution tolerance. Modern spark ignition internal combustion engines rely on fast combustion rates and high dilution to achieve high brake thermal efficiencies. To accomplish this, high stroke-to-bore ratios and high geometric compression ratios have been used in new engine designs. Therefore, propane’s relatively high laminar flame speeds, high knock resistance, and dilution tolerance make it an excellent candidate fuel for modern spark ignition engines. The objective of this work is to co-optimize the piston geometry and the engine stroke to maximize the efficiency of a spark-ignition engine fueled with propane. 3D computational fluid dynamics (CFD) simulations employing the extended coherent flamelet model were used to study the parametric effects of piston shape and stroke length. A piston geometry based on high performing pistons was parameterized using four controlling parameters. The piston geometry and engine stroke design space was explored using deterministic and quasi-random sampling techniques. In conclusion, a Gaussian process regression model was built using the simulation data to explain the results observed.

33 ADVANCED PROPULSION SYSTEMS↗