Engineering Papers⌕ Search

SEARCH · Engineering Papers

Results for “effective diffusivity”

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.

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

At least 1,405 records · Page 78
All sourcesNASA NTRSDOE OSTI
DOE OSTI2014

Post-growth thermal oxidation of wurtzite InN thin films into body-center cubic In{sub 2}O{sub 3} for chemical/gas sensing applications

Post-growth thermal oxidations of InN have been studied using high-resolution x-ray diffraction (HRXRD) and secondary ion-mass spectroscopy (SIMS). The InN thin films, having relative high crystal quality, were grown by metal–organic chemical vapor deposition (MOCVD) on c-sapphire substrates using InGaN/GaN buffer layers. HRXRD reveals that oxidation of wurtzite InN into body-center cubic In{sub 2}O{sub 3} occurred at elevated temperatures. A Si{sub 3}N{sub 4} encapsulation improves the crystal quality of In{sub 2}O{sub 3} oxidized by using conventional rapid thermal annealing (RTA) but it results in the presence of undesired metallic indium. Cycle-RTA not only improves the crystal quality but also avoids the byproduct of metallic indium. SIMS depth profile, using contaminate elements as the ‘interface markers,’ provide evidence that the oxidation of InN is dominated by oxygen inward diffusion mechanism. Together with the HRXRD results, we conclude that the crystal quality of the resultant In{sub 2}O{sub 3}/InN heterostructure is mainly controlled by the balance between the speeds of oxygen diffusion and InN thermal dissociation, which can be effectively tuned by cycle-RTA. The obtained In{sub 2}O{sub 3}/InN heterostructures can be fundamental materials for studying high speed chemical/gas sensing devices. - Graphical abstract: Oxidation of h-InN into bcc-In{sub 2}O{sub 3} has been realized at elevated temperatures. A Si{sub 3}N{sub 4} cap improves the crystal quality of In{sub 2}O{sub 3} oxidized by conventional RTA but it results in the presence of undesired metallic indium. Cycle-RTA not only improves the crystal quality but also avoids the byproduct of metallic indium. SIMS depth profiles provide evidence that the oxidation of InN is dominated by oxygen inward diffusion mechanism. The crystal quality of the resultant In{sub 2}O{sub 3}/InN heterostructure is mainly controlled by the balance between the speeds of oxygen diffusion and InN thermal dissociation, which can be effectively tuned by cycle-RTA. - Highlights: • Oxidation of h-InN into bcc-In{sub 2}O{sub 3} has been realized at elevated temperatures. • Si{sub 3}N{sub 4} cap improves In{sub 2}O{sub 3} quality obtained by RTA but results in undesired indium. • Cycle-RTA not only improves the quality but also avoids the byproduct of indium. • The oxidation of InN is dominated by oxygen inward diffusion mechanism. • Cycle-RTA tunes the speeds of oxygen diffusion and InN thermal dissociation.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2015

Probing water distribution in compressed fuel-cell gas-diffusion layers using X-ray computed tomography

X-ray computed tomography was used to investigate geometrical land and channel effects on spatial liquid-water distribution in gas-diffusion layers (GDLs) of polymer-electrolyte fuel cells under different levels of compression. At low compression, a uniform liquid-water front was observed due to water redistribution and uniform porosity; however, at high compression, the water predominantly advanced at locations under the channel for higher liquid pressures. Lastly, at low compression, no apparent correlation between the spatial liquid water and porosity distributions was observed, whereas at high compression, a strong correlation was shown, indicating a potential for smart GDL architecture design with modulated porosity.

25 ENERGY STORAGE↗
DOE OSTI2012

Spark discharge formation in an inhomogeneous electric field under conditions of runaway electron generation

In this article we report on work where the formation of a spark in nanosecond high-voltage discharges was studied in nitrogen, nitrogen-methane mixtures, and air at increased pressures under the conditions of runaway electron generation. Voltage pulses of amplitude {approx}90 and {approx}250 kV were applied to a point-to-plane gap with a planar anode and a cathode of small curvature radius. Cathode spots appeared early in the discharge, within {approx}200 ps of a corona discharge at high rate of rise of the voltage ({approx}5 x 10{sup 14} V/s) across centimeter point-to-plane gap spacing. The spark leader that bridged the point-to-plane gap propagated from the planar anode with cathode spots and a voltage pulse rise time of less than 1 ns. The discharge from diffuse clouds took the form of diffuse jets with increasing pulse repetition rate, thus achieving the accumulation effect in a repetitively pulsed discharge. Characteristic emission spectra are presented for spark diffuse and corona discharges.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2020

Simulating the mechanisms of serrated flow in interstitial alloys with atomic resolution over diffusive timescales

Abstract The Portevin-Le Chatelier (PLC) effect is a phenomenon by which plastic slip in metallic materials becomes unstable, resulting in jerky flow and the onset of inhomogeneous deformation. The PLC effect is thought to be fundamentally caused by the dynamic interplay between dislocations and solute atoms. However, this interplay is almost always inaccessible experimentally due to the extremely fine length and time scales over which it occurs. In this paper, simulations of jerky flow in W-O interstitial solid solutions reveal three dynamic regimes emerging from the simulated strain rate-temperature space: one resembling standard solid solution strengthening, another one mimicking solute cloud formation, and a third one where dislocation/solute coevolution leads to jerky flow as a precursor of dynamic strain aging. The simulations are carried out in a stochastic framework that naturally captures rare events in a rigorous manner, providing atomistic resolution over diffusive time scales using no adjustable parameters.

36 MATERIALS SCIENCE↗
DOE OSTI2019

Effects of Dissolved Organic Carbon on Copper Toxicity to Embryos of Mytilus galloprovincialis as Measured by Diffusive Gradient in Thin Films

Diffusive Gradient in Thin-film (DGT), a passive sampling method, has the potential to better quantify the bioavailable fraction of Cu in seawater, when determining toxicological endpoints, versus grab samples evaluated for total or dissolved Cu. In the present study, laboratory exposure of DGTs and Mediterranean mussel (M. galloprovincialis) embryos at varying concentrations of dissolved organic carbon (DOC) and Cu were performed to resolve the degree to which mimicry of toxicity-buffering occurs in passive sampler quantification. Studies were performed in water collected from Sequim Bay, Washington, USA, spiked with Suwannee River Natural Organic Matter (SRNOM) and Cu(II)SO4. The results provide preliminary EC50s ranging from 4.8 to 11.5 µg/L as CDGT Cu over the span of 0.892 to 8.28 mg/L DOC. M. galloprovincialis was selected as the relevant organism for this correlation based on current consensus for deriving water criteria values, which are based solely from Mytilus spp. toxicological study final acute values, maintaining the intent of protecting environmental and commercial interests to the fauna regarded as most sensitive to Cu input in the marine environment. The present study provides an initial DGT response by which coastal DOC pools with varying functional binding group mixtures can be compared to discern the applicability of broad use for quantifying biological effects at time scales integrated to account for pulsed-input to marine waters.

copper, Bioavailability, Diffusive Gradient in Thi↗
DOE OSTI2014

The filamentary structure of mixing fronts and its control on reaction kinetics in porous media flows

We investigate the effective kinetics of a reaction front for mixing limited bimolecular reaction $A+B\rightarrow C$ in a porous medium. While Fickian diffusion predicts a scaling of the cumulative mass produced as $M_C \propto t^{1/2}$, we observe two time regimes in which the total product mass evolves faster then $t^{1/2}$. At early times the invading solute is organized in fingers of high velocity. Reactions take place only at the fingers boundaries whose surface grows linearly in time. We show that this configuration leads to a mass scaling $M_C \propto t^2$. When diffusion mixes reactants and destroy these finger structures, the effective reaction rate slows down and we relate it to the longitudinal advective spreading providing $M_C \propto \sigma_x$. The transition time between these two regimes is characterized by the diffusion time over the transverse fingers cross section.

reactive transport, multiscale methods, smoothed p↗
DOE OSTI2017

Long‐Term Structural Evolution of an Intercalated Layered Semiconductor

Intercalated molecules can dramatically modify the electronic band structure of layered semiconductors, significantly altering the optical properties of the material. In the layered monochalcogenide Gallium Telluride (GaTe), exposure to air induces a nearly 1 eV reduction of its band gap due to the interlayer diffusion and chemisorption of oxygen. The effect of oxygen chemisorption at the Te‐terminated surfaces on the structure of GaTe, however, is much less known. To better understand the structure–property relationship of intercalated GaTe, a systematic, long‐term, X‐ray diffraction study has been performed on GaTe exfoliated crystals exposed to ambient conditions. It is observed that the structural changes are not limited to a previously observed short‐term increase in lattice expansion. Over the course of months and even years after exfoliation, the oxygen adsorbates continue to modify the structure of GaTe, inducing significant disorder and grain reorientation. It is estimated that approximately one out of every two grains is slightly displaced by the intercalating oxygen, demonstrating a significant increase in grain mosaicity, while still maintaining the original {−2 0 1} out‐of‐plane texture. Correlating these structural transformations to observed changes in electrical and optical properties will enable capitalization of the use of adsorbates to engineer novel properties in these layered materials.

Chew, Annabel R.↗
DOE OSTI2023

Anomalous hydrodynamics effective actions from holography

We derive an effective action for charged plasmas with an anomalous (abelian) global current charge current using holography. The holographic description is captured by the dynamics of an Einstein-Maxwell-Chern-Simons theory in an asymptotically AdS spacetime. The ’t Hooft anomaly contribution, which is encoded in the Chern-Simons term, contributes at the Gaussian order in the effective action only in the momentum diffusion sector, where it leads to chiral shear waves. However, as we demonstrate, beyond the Gaussian order, there is non-trivial imprint of the parity-violating anomaly term in sound and charge diffusion dynamics as well.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2018

Microsegregation Measurement: Methods and Applications

Microsegregation is chemical variation at the microstructural level in a solidified ingot, which can cause undesirable effects on material properties. Its formation is driven by different levels of solute elemental solubility between solid and liquid phases, resulting in solute buildup or depletion in the liquid phase during solidification. Characterization of microsegregation can be essential for understanding its formation and removing it through heat treatment. Measurement is frequently carried out via scanning electron microscope (SEM), though metallographic analysis, mechanical testing and optical radiography have been used. SEM analysis can consist of point measurements on single dendrites, line scans across or along dendrites, elemental maps, and extended line-based or grid-based analyses extending over many dendrites, which can generate large amounts of data. Line-based or grid-based data can be analyzed using scatterplots of element concentrations to visualize segregation behavior and sorting/ranking of data by a single element or a combination of elements, to give compositional profiles as a function of extent of solidification. For both qualitative and quantitative analyses, effects of phase transformations and secondary phases need to be considered as well as sorting of measurement errors when generating compositional profiles. Applications of analysis include determination of partition ratios, examination of solute–element interactions, determination of effects of cooling rate and back diffusion, applications to freckling studies, validations of modeling, and development of heat-treatment profiles.

36 MATERIALS SCIENCE↗
DOE OSTI2018

Multiscale investigations of nanoprecipitate nucleation, growth, and coarsening in annealed low-Cr oxide dispersion strengthened FeCrAl powder

A major challenge in the design of oxide dispersion strengthened (ODS) FeCrAl alloys is the optimization of the fine-scale particle size distribution that provides both beneficial mechanical properties and irradiation resistance. To address this obstacle, the nucleation, growth, and coarsening of the fine-scale (Y,Al,O) nanoprecipitates within an ODS FeCrAl powder was studied using atom probe tomography (APT) and small-angle neutron scattering (SANS). Mechanically alloyed Fe10Cr-6.1Al-0.3Zr + Y 2 O 3 wt.% (CrAZY) powders were heated in-situ from 20 to 1000 °C to capture the nucleation and growth of the nanoprecipitates using SANS. Furthermore, CrAZY powders were annealed at 1000 °C, 1050 °C, and 1100 °C for ageing times from 15 min to 500 h followed by either APT or magnetic SANS to study the structure, composition, and coarsening kinetics of the nanoprecipitates at high temperature. In-situ SANS results indicate nanoprecipitate nucleation and growth at low temperatures (200–600 °C). APT results revealed compositions corresponding to the cubic Y 3 Al 5 O 12 garnet (YAG) stoichiometry with a possible transition towards the perovskite YAlO3 (YAP) phase for larger precipitates after sufficient thermal ageing. However, magnetic SANS results suggest a defective structure for the nanoprecipitates indicated by deviations of the calculated A-ratio from stoichiometric (Y,Al,O) phases. Particle coarsening kinetics follow n = 6 power law kinetics with respect to particle size, but the mechanism cannot be explained through the dislocation pipe diffusion mechanism. In conclusion, the potential effect of precipitate coarsening during pre- and post-consolidation heat treatments on the irradiation resistance of ODS FeCrAl alloys is discussed with respect to sink strength maximization.

36 MATERIALS SCIENCE↗
DOE OSTI2015

Counterflow ignition of n-butanol at atmospheric and elevated pressures

Vital to the development of predictive combustion models is a robust understanding of the coupled effects of chemical kinetics and convective–diffusive transport at both atmospheric and elevated pressures. The current study describes a new variable-pressure non-premixed counterflow ignition experiment designed to address the need for well-characterized reference data to validate such models under conditions sensitive to both chemical and transport processes. A comprehensive characterization of system behavior is provided to demonstrate boundary condition and ignition quality as well as adherence to the assumption of quasi-one-dimensionality, and suggest limitations and best practices for counterflow ignition experiments. This effort reveals that the counterflow ignition experiment requires special attention to ignition location in order to ensure that the assumption of quasi-one-dimensionality is valid, particularly at elevated pressures. This experimental tool is then applied to the investigation of n-butanol for pressures of 1–4 atm, pressure-weighted strain rates of 200–400 s -1 , and fuel mole fractions of 0.05–0.25. Results are simulated using two n-butanol models available in the literature and used to validate and assess model performance. Comparison of experimental and numerical ignition results for n-butanol demonstrates that while existing models largely capture the trends observed with varying pressure, strain rate, and fuel loading, the models universally over-predict experimental ignition temperatures. While several transport coefficients are found to exhibit order-of-magnitude or greater sensitivities relative to reaction rates, variation of transport parameters is not able to account for the large deviations observed between experimental and numerical results. Additional comparison of ignition kernel structure and fuel breakdown pathways between two literature models suggests that an under-prediction in the radical pool growth with respect to temperature variation may be responsible for both the deviation from the experimental results and the discrepancy in ignition temperature results observed between models.

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

Phase-field modeling of diffusion bonding in 316H stainless steel: Impact of processing conditions on grain morphology and bonding quality

A novel multi-phase, multi-component phase‐field model is presented to study the diffusion bonding of 316H stainless steel. Combined with targeted experimental investigations, this model simulates the bond-growth process and predicts the bonding quality. Unlike previous models, our approach captures the simultaneous evolution of voids and grain structures, while quantifying bonding quality using defined bonding ratio. A comprehensive analysis of bond process control is performed by changing temperature, pressure and surface roughness observing the resulting bond structure, which is consistent with experimental observations and analytical predictions. Temperature is determined to be the dominant factor, with the transition from a flat to a robust bond occurring between 1000 °C and 1050 °C. At the ideal bonding temperature of 1050 °C, a surface roughness exceeding 0.6 μm or an applied stress below 4 MPa results in poor bonding quality. Beyond this, higher pressures and smoother surfaces reduce void size, accelerate void shrinkage, and lead to improved bond integrity. This diffuse-interface model can be extended to other material systems if supplied with appropriate thermodynamic and kinetic data. In conclusion, this makes it an effective modeling platform for optimizing high-temperature diffusion bonding and developing reliable bonded components such as compact heat exchangers.

Diffusion bonding↗
DOE OSTI2018

Evaluation of the performance of distributed and centralized biomass technologies in rural China

Biomass fermentation and gasification are two types of biomass utilization technologies for residential households. Government plays an essential role in the diffusion of improved technologies. Cost-effectiveness analysis can provide the cost and abatement potentials of each alternative under a single abatement strategy; however, it is difficult for policy-makers to make an integrated assessment when multiple objectives are involved. This paper evaluates the performance of three distributed alternatives and two centralized alternatives for residential biomass use in rural China, including centralized biogas and centralized gasifier systems. An integrated assessment approach is built, which combines cost-benefit analysis, an entropy-weighting method, and a preference-ranking organization method for enrichment evaluations using the PROMETHEE approach. A total of 686 sample households in three regions of China were surveyed in this study. The centralized gasifier system and distributed household biogas were the top two alternatives for further development to meet the government’s 2020 development goal for biogas technology. The overall biomass utilization amount in the prioritized scenario is about three times that of the business-as-usual scenario by 2020. Furthermore, this study can provide significant insights for China’s policy-makers to draft strategic policies and countermeasures that will promote the development of renewable energy in China.

09 BIOMASS FUELS↗
DOE OSTI2018

Subtle and reversible interactions of ambient pressure H 2 with Pt/Cu(111) single-atom alloy surfaces

Pt-Cu single-atom alloys (SAA) have been identified as promising hydrogenation catalysts with an ability to activate H 2 better than the individual metals alone. We studied the interaction between H 2 and Pt/Cu(111) SAA model surface using ambient pressure X-ray photoelectron spectroscopy (AP-XPS). A binding energy shift in the Pt 4f spectrum indicates the presence of adsorbed H at 350 K, occurring because of HeH bond activation. No evidence was found of either surface segregation, subsurface diffusion of Pt atoms, or any effects on the thermal stability of the surface, likely due to the subtle interaction between Pt and H. This shift is reversible upon evacuation of H 2 , which is a sign of a weak interaction. In addition, we studied the effect of H 2 and CO coadsorption and found that while the surface is unaffected by poisoning by a small amount of CO at 350 K, CO can displace adsorbed H on almost half of the surface Pt sites at 300 K. The susceptibility to CO poisoning increases after the surface was heated to 450 K due to changes in the structure of the subsurface layer that enhance the binding of CO to the surface Pt sites.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗