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 1,279 records · Page 71
All sourcesNASA NTRSDOE OSTI
DOE OSTI2018

A reduced thermal diffusion model for H and H 2

Here this work details the development of a new, reduced thermal diffusion model. The proposed model derives from the thermal diffusion model of Chapman and Cowling (1970). In its derivation, a set of mixture-averaged like approximations are made, which results in the number of operations being reduced from $\mathscr{O}$($\mathcal{n}^2$) to sub-linear, where n is the number of species in the chemical model. With these approximations, the new, reduced model thermal diffusion coefficients can be calculated independently for each species. The model is validated against multicomponent thermal diffusion cases using multiple fuel and diluent mixtures at various pressures, temperatures, and equivalence ratios. The resulting reduced model thermal diffusion fluxes agree well with the multicomponent values, with a multiplicative scaling factor identified using a least squares regression. Unstretched laminar flame speeds are compared using the multicomponent and newly developed models. Finally, an a posteriori comparison in a turbulent configuration shows excellent agreement of both the mean and fluctuations of the thermal diffusion coefficients.

42 ENGINEERING↗
DOE OSTI2015

Comparison of silver, cesium, and strontium release predictions using PARFUME with results from the AGR-1 irradiation experiment

Here, the PARFUME (PARticle FUel ModEl) code was used to predict the release of fission products silver, cesium, and strontium from tristructural isotropic coated fuel particles and compacts during the first irradiation experiment (AGR-1) of the Advanced Gas Reactor Fuel Development and Qualification program. The PARFUME model for the AGR-1 experiment used the fuel compact volume average temperature for each of the 620 days of irradiation to calculate the release of silver, cesium, and strontium from a representative particle for a select number of AGR-1 compacts. Post-irradiation examination measurements provided data on release of these fission products from fuel compacts and fuel particles, and retention of silver in the compacts outside of the silicon carbide (SiC) layer. PARFUME-predicted fractional release of silver, cesium, and strontium was determined and compared to the PIE measurements. For silver, comparisons show a trend of over-prediction at low burnup and under-prediction at high burnup. PARFUME has limitations in the modeling of the temporal and spatial distributions of the temperature and burnup across the compacts, which affects the accuracy of its predictions. Nevertheless, the comparisons on silver release lie in the same order of magnitude. Results show an overall over-prediction of the fractional release of cesium by PARFUME. For particles with failed SiC layers, the over-prediction is by a factor of up to 3, corresponding to a potential over-estimation of the diffusivity in uranium oxycarbide (UCO) by a factor of up to 250. For intact particles, whose release is much lower, the over-prediction is by a factor of up to 100, which could be attributed to an over-estimated diffusivity in SiC by about 40% on average. The release of strontium from intact particles is also over-predicted by PARFUME, which also points towards an over-estimated diffusivity of strontium in either SiC or UCO, or possibly both. The measured strontium fractional release from intact particles varied considerably from compact to compact, making it difficult to assess the effective over-estimation of the diffusivities. Moreover, the release of strontium from particles with failed SiC is difficult to observe experimentally due to the release from intact particles, preventing any conclusions to be made on the accuracy or validity of the PARFUME predictions and the modeled diffusivity of strontium in UCO.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2015

Flow regimes for fluid injection into a confined porous medium

We report theoretical and numerical studies of the flow behaviour when a fluid is injected into a confined porous medium saturated with another fluid of different density and viscosity. For a two-dimensional configuration with point source injection, a nonlinear convection–diffusion equation is derived to describe the time evolution of the fluid–fluid interface. In the early time period, the fluid motion is mainly driven by the buoyancy force and the governing equation is reduced to a nonlinear diffusion equation with a well-known self-similar solution. In the late time period, the fluid flow is mainly driven by the injection, and the governing equation is approximated by a nonlinear hyperbolic equation that determines the global spreading rate; a shock solution is obtained when the injected fluid is more viscous than the displaced fluid, whereas a rarefaction wave solution is found when the injected fluid is less viscous. In the late time period, we also obtain analytical solutions including the diffusive term associated with the buoyancy effects (for an injected fluid with a viscosity higher than or equal to that of the displaced fluid), which provide the structure of the moving front. Numerical simulations of the convection–diffusion equation are performed; the various analytical solutions are verified as appropriate asymptotic limits, and the transition processes between the individual limits are demonstrated.

58 GEOSCIENCES↗
DOE OSTI2016

Measuring radiation damage dynamics by pulsed ion beam irradiation. 2015 Annual Progress Report for DOE/NE/NEET

The major goal of this project is to develop and demonstrate a novel experimental approach to access the dynamic regime of radiation damage formation processes in nuclear materials. In particular, the project exploits a pulsed-ion-beam method in order to gain insight into defect interaction dynamics by measuring effective defect interaction time constants and defect diffusion lengths. For Year 2, this project had the following two major milestones: (i) measurement of the temperature dependence of defect dynamics in SiC and (ii) the evaluation of the robustness of the pulsed beam method from studies of the defect generation rate. As we describe below, both of these milestones have been met.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Preserving Tracer Correlations in Moment-Based Atmospheric Transport Models

A linear non-diffusive algorithm for advective transport is developed that greatly improves the detail at which aerosols and clouds can be represented in atmospheric models. Linear advection schemes preserve tracer correlations but the most basic linear scheme is rarely used by atmospheric modelers on account of its excessive numerical diffusion. Higher-order schemes are in widespread use, but these present new problems as nonlinear adjustments are required to avoid occurrences of negative concentrations, spurious oscillations, and other non-physical effects. Generally successful at reducing numerical diffusion during the advection of individual tracers, for example, particle number or mass, the higher-order schemes fail to preserve even the simplest of correlations between interrelated tracers. As a result, important attributes of aerosol and cloud populations including radial moments of particle size distributions, molecular precursors related through chemical equilibria, aerosol mixing state, and distribution of cloud phase are poorly represented. We introduce a new transport scheme, minVAR, that is both non-diffusive and preservative of tracer correlations, thereby combining the best features of the basic and higher-order schemes while enabling new features such as the tracking of sub-grid information at arbitrarily fine scales with high computational efficiency.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2014

Effect of particle size on the thermo-optic properties of gold nanofluids – A thermal lens study

Spherical gold nanoparticles having particle size in the range 30 to 50 nm are prepared using citrate reduction of gold chloride trihydrate in water. The influence of particle size on the thermal diffusivity value of gold nanofluid is measured using dual beam thermal lens technique. The present study shows that the particle size influences the effective thermal diffusivity value of the nanofluid substantially and the value decreases with decrease in particle size for the investigated samples.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2017

Cerium Ion Mobility and Diffusivity Rates in Perfluorosulfonic Acid Membranes Measured via Hydrogen Pump Operation

Ion mobility and diffusivity coefficients were determined for cerium ions in Nafion XL perfluorosulfonic acid ionomer membranes at 100% and 50% relative humidity in a conductivity cell using a hydrogen pump. We quantified Ce ion migration profiles as a function of charge transfer through the cell using X-ray fluorescence (XRF). To decouple simultaneous effects of Ce ion mobility and back-diffusion which occur due to potential and concentration gradients, respectively, a one-dimensional model was developed and fit to these intermittent XRF profiles. The resulting mobility and diffusivity coefficients demonstrate the dramatic effects of potential and concentration gradients on Ce ion migration during PEM fuel cell operation.

25 ENERGY STORAGE↗
DOE OSTI2011

NON-IDEAL MHD EFFECTS AND MAGNETIC BRAKING CATASTROPHE IN PROTOSTELLAR DISK FORMATION

Dense, star-forming cores of molecular clouds are observed to be significantly magnetized. A realistic magnetic field of moderate strength has been shown to suppress, through catastrophic magnetic braking, the formation of a rotationally supported disk (RSD) during the protostellar accretion phase of low-mass star formation in the ideal MHD limit. We address, through two-dimensional (axisymmetric) simulations, the question of whether realistic levels of non-ideal effects, computed with a simplified chemical network including dust grains, can weaken the magnetic braking enough to enable an RSD to form. We find that ambipolar diffusion (AD), the dominant non-ideal MHD effect over most of the density range relevant to disk formation, does not enable disk formation, at least in two dimensions. The reason is that AD allows the magnetic flux that would be dragged into the central stellar object in the ideal MHD limit to pile up instead in a small circumstellar region, where the magnetic field strength (and thus the braking efficiency) is greatly enhanced. We also find that, on the scale of tens of AU or more, a realistic level of Ohmic dissipation does not weaken the magnetic braking enough for an RSD to form, either by itself or in combination with AD. The Hall effect, the least explored of these three non-ideal MHD effects, can spin up the material close to the central object to a significant, supersonic rotation speed, even when the core is initially non-rotating, although the spun-up material remains too sub-Keplerian to form an RSD. The problem of catastrophic magnetic braking that prevents disk formation in dense cores magnetized to realistic levels remains unresolved. Possible resolutions of this problem are discussed.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2020

Evidence for a Solid-Electrolyte Inductive Effect in the Superionic Conductor Li 10 Ge 1– x Sn x P 2 S 12

Strategies to enhance ionic conductivities in solid electrolytes typically focus on the effects of modifying their crystal structures or of tuning mobile-ion stoichiometries. A less-explored approach is to modulate the chemical bonding interactions within a material to promote fast lithium-ion diffusion. Recently, the idea of a solid-electrolyte inductive effect has been proposed, whereby changes in bonding within the solid-electrolyte host framework modify the potential energy landscape for the mobile ions, resulting in an enhanced ionic conductivity. Direct evidence for a solid-electrolyte inductive effect, however, is lacking—in part because of the challenge of quantifying changes in local bonding interactions within a solid-electrolyte host framework. Here, we consider the evidence for a solid-electrolyte inductive effect in the archetypal superionic lithium-ion conductor Li 10 Ge 1–x Sn x P 2 S 12 . Substituting Ge for Sn weakens the {Ge,Sn}–S bonding interactions and increases the charge density associated with the S 2– ions. This charge redistribution modifies the Li + substructure causing Li + ions to bind more strongly to the host framework S 2– anions, which in turn modulates the Li + ion potential energy surface, increasing local barriers for Li + ion diffusion. Each of these effects is consistent with the predictions of the solid-electrolyte inductive effect model. Density functional theory calculations predict that this inductive effect occurs even in the absence of changes to the host framework geometry due to Ge → Sn substitution. These results provide direct evidence in support of a measurable solid–electrolyte inductive effect and demonstrate its application as a practical strategy for tuning ionic conductivities in superionic lithium-ion conductors.

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

Pitch-angle diffusion of electrons through growing and propagating along a magnetic field electromagnetic wave in Earth's radiation belts

The diffusion of electrons via a linearly polarized, growing electromagnetic (EM) wave propagating along a uniform magnetic field is investigated. The diffusion of electrons that interact with the growing EM wave is investigated through the autocorrelation function of the parallel electron acceleration in several tens of electron gyration timescales, which is a relatively short time compared with the bounce time of electrons between two mirror points in Earth's radiation belts. Furthermore, the pitch-angle diffusion coefficient is derived for the resonant and non-resonant electrons, and the effect of the wave growth on the electron diffusion is discussed. The results can be applied to other problems related to local acceleration or the heating of electrons in space plasmas, such as in the radiation belts.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2012

Numerical Simulations of Transverse Beam Diffusion Enhancement by the Use of Electron Lens in the Tevatron Collider

Transverse beam diffusion for the Tevatron machine has been calculated using the Lifetrac code. The following effects were included: random noise (representing residual gas scattering, voltage noise in the accelerating cavities) lattice nonlinearities and beam-beam interactions. The time evolution of particle distributions with different initial amplitudes in Hamiltonian action has been simulated for 6 million turns, corresponding to a time of about 2 minutes. For each particle distribution, several cases have been considered: a single beam in storage ring mode, the collider case and the effects of a hollow electron beam collimator. The diffusion coefficient for some representative points in the amplitude space has been calculated by fitting the time evolution of delta-like particle distributions using the diffusion equation, for different machine conditions. The results confirm a strong efficiency of the electron lens as an halo diffusive enhancer, leading to diffusion coefficients which are at least a factor 10K higher than the values obtained for the collision case. This result is confirmed by the Frequency Map Analysis, which shows a clear intensification of resonance lines for particle amplitudes larger than the electron lens inner radius. If compared with past experiments, the simulations successfully reproduce the diffusion coefficients for the beam core, but still present a large discrepancy for halo particles, still under investigation.

43 PARTICLE ACCELERATORS↗
DOE OSTI2016

Effect of low temperature oxidation (LTO) in reducing boron skin in boron spin on dopant diffused emitter

Formation of boron skin is an unavoidable phenomenon in p-type emitter formation with boron dopant source. The boron skin thickness is generally less than 100 nm and difficult to remove by chemical and physical means. Low temperature oxidation (LTO) used in this work is useful in removing boron skin thickness up to 30 nm and improves the emitter performance. The effective minority carrier lifetime gets improved by more than 30% after using LTO and leakage current of the emitter gets lowered by 100 times thereby showing the importance of low temperature oxidation in boron spin on dopant diffused emitters.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2017

Kinetic Monte Carlo simulations of GaN homoepitaxy on c- and m-plane surfaces

The surface orientation can have profound effects on the atomic-scale processes of crystal growth and is essential to such technologies as GaN-based light-emitting diodes and high-power electronics. We investigate the dependence of homoepitaxial growth mechanisms on the surface orientation of a hexagonal crystal using kinetic Monte Carlo simulations. To model GaN metal-organic vapor phase epitaxy, in which N species are supplied in excess, only Ga atoms on a hexagonal close-packed (HCP) lattice are considered. The results are thus potentially applicable to any HCP material. Growth behaviors on c-plane (0001) and m-plane (011¯0) surfaces are compared. We present a reciprocal space analysis of the surface morphology, which allows extraction of growth mode boundaries and direct comparison with surface X-ray diffraction experiments. For each orientation, we map the boundaries between 3-dimensional, layer-by-layer, and step flow growth modes as a function of temperature and growth rate. Two models for surface diffusion are used, which produce different effective Ehrlich-Schwoebel step-edge barriers and different adatom diffusion anisotropies on m-plane surfaces. Simulation results in agreement with observed GaN island morphologies and growth mode boundaries are obtained. These indicate that anisotropy of step edge energy, rather than adatom diffusion, is responsible for the elongated islands observed on m-plane surfaces. As a result, island nucleation spacing obeys a power-law dependence on growth rate, with exponents of –0.24 and –0.29 for the m- and c-plane, respectively.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Stationary Oxygen Vacancy Construction toward a Superior-Performance Ultrahigh Nickel Single-Crystal Cathode

Oxygen vacancies exert a complex and profound influence on the layered cathodes, especially those with ultrahigh nickel content. They can facilitate lithium-ion transport and enhance electronic conductivity, while aggressive oxygen vacancy formation causes structural degradation and electrolyte decomposition. Herein, taking ultrahigh nickel single-crystal LiNi 0.92 Co 0.06 Mn 0.02 O 2 (SC-Ni92) as a model material, we propose a pinning strategy to harness the benefits of oxygen vacancies while mitigating their detrimental effects. Through a carefully controlled thermal process, both oxygen vacancies and pinning atoms are successfully introduced into the surface region. The resulting anchored oxygen vacancies, capitalizing on their inherent advantages, improve conductivity and lithium-ion diffusion. Simultaneously, the neighboring pinning atoms effectively increase the migration barrier and suppress the adverse effects of these vacancies, including electrolyte decomposition and structural degradation during long-term electrochemical cycling. Consequently, oxygen vacancy-anchored single-crystal LiNi 0.92 Co 0.06 Mn 0.02 O 2 (SC-Ni92-OV) demonstrates significantly improved high-voltage electrochemical performance, with 86.16% capacity retention after 200 cycles at 4.6 V and 1 C in a half-cell and 90.71% after 300 cycles at 4.5 V and 1 C in a full cell. Furthermore, this study not only provides valuable insights into the chemistry of oxygen vacancy but also introduces a viable strategy for leveraging oxygen vacancies to achieve stable high-voltage performance in ultrahigh nickel single-crystal cathodes.

defects in solids↗
DOE OSTI2015

A study on atomic diffusion behaviours in an Al-Mg compound casting process

Al and Mg alloys are main lightweight alloys of research interest and they both have superb material properties, i.e., low density and high specific strength, etc. Being different from Al alloys, the corrosion of Mg alloys is much more difficult to control. Therefore to combine merits of these two lightweight alloys as a composite-like structure is an ideal solution through using Al alloys as a protective layer for Mg alloys. Compound casting is a realistic technique to manufacture such a bi-metal structure. In this study, a compound casting technique is employed to fabricate bi-layered samples using Al and Mg and then the samples are analysed using electron probe micro-analyzer (EPMA) to determine diffusion behaviours between Al and Mg. The diffusion mechanism and behaviours between Al and Mg are studied numerically at atomic scale using molecular dynamics (MD) and parametric studies are conducted to find out influences of ambient temperature and pressure on the diffusion behaviours between Al and Mg. The results obtained clearly show the effectiveness of the compound casting process to increase the diffusion between Al and Mg and thus create the Al-base protection layer for Mg.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Use of a controlled experiment and computational models to measure the impact of sequential peer exposures on decision making

It is widely believed that one’s peers influence product adoption behaviors. This relationship has been linked to the number of signals a decision-maker receives in a social network. But it is unclear if these same principles hold when the “pattern” by which it receives these signals vary and when peer influence is directed towards choices which are not optimal. To investigate that, we manipulate social signal exposure in an online controlled experiment using a game with human participants. Each participant in the game decides among choices with differing utilities. We observe the following: (1) even in the presence of monetary risks and previously acquired knowledge of the choices, decision-makers tend to deviate from the obvious optimal decision when their peers make a similar decision which we call the influence decision, (2) when the quantity of social signals vary over time, the forwarding probability of the influence decision and therefore being responsive to social influence does not necessarily correlate proportionally to the absolute quantity of signals. To better understand how these rules of peer influence could be used in modeling applications of real world diffusion and in networked environments, we use our behavioral findings to simulate spreading dynamics in real world case studies. We specifically try to see how cumulative influence plays out in the presence of user uncertainty and measure its outcome on rumor diffusion, which we model as an example of sub-optimal choice diffusion. Together, our simulation results indicate that sequential peer effects from the influence decision overcomes individual uncertainty to guide faster rumor diffusion over time. However, when the rate of diffusion is slow in the beginning, user uncertainty can have a substantial role compared to peer influence in deciding the adoption trajectory of a piece of questionable information.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2016

Hydrogen trapping at neutron irradiation produced defects in recrystallized alpha annealed Zircaloy-4 - 2016-0060

Hydrogen is absorbed into zirconium alloy-clad fuel elements and structural components as a result of water-side corrosion in both pressurized water reactor (PWR) and boiling water reactor (BWR) environments. Increasing hydrogen concentrations in the zirconium alloy affect both its mechanical properties and dimensional stability. It is well known that hydrogen can diffuse relatively rapidly through zirconium base alloys (in relation to the lifetime of the components) in response to solid solution concentration, temperature, and stress gradients. Migration of hydrogen within a component through its life must be considered to reliably predict the performance of the component through life and even post-service life. Many of the physical properties needed to describe this process, such as the solubility of hydrogen in zirconium alloys, diffusion coefficients of hydrogen through zirconium alloys, and the Soret effect within zirconium alloys, already have been published. Many of these measurements have been made outside of the reactor core environment on nonirradiated zirconium alloys. This paper presents in-reactor, isothermal hydrogen diffusion data that show an effect of the in-reactor radiation environment on the final measured hydrogen concentrations. Samples used are similar to the hydrogen diffusion couples used by several investigators in the past to measure the hydride dissolution solvus as a function of temperature. The experimental results are interpreted on the basis of a physical model for hydrogen trapping that hypothesizes that hydrogen in solid solution in the zirconium lattice comes into thermodynamic equilibria with the hydride phase as well as into a steady-state equilibrium with trapping at irradiation-induced defects within the lattice. In agreement with the model, the irradiation effect on final measured concentrations is seen to be a decreasing function of the irradiation temperature between ∼271 deg. C and 354 deg. C, with any effect essentially eliminated by an irradiation temperature of 354 deg. C. (authors)

36 MATERIALS SCIENCE↗
DOE OSTI2021

Evaluating the efficacy of aluminide coatings to improve oxidation resistance of high performance engine valve alloys

Increasing peak cylinder pressures and operating temperatures of turbo-charged internal combustion engines (ICEs) engines present new challenges for existing materials employed in engine exhaust valves. Oxidation induced degradation of current Ni based alloys for these components will be a life-limiting mechanism while strict cost margins in the automotive transportation industry further limit the choice of suitable candidate materials. Metallic diffusion aluminide coatings can provide a cost-effective way to improve the oxidation resistance of underlying materials. In this study, the high temperature oxidation behavior of diffusion nickel aluminide coatings on two Ni based alloys (commercially available alloy 31V and a developmental alloy) during cyclic oxidation behavior in air+10% H 2 O at 900 °C was investigated. A complete depletion of the beneficial Al-rich β-(NiFe)Al phase was observed in the coating on alloy 31V while a significant fraction of this phase was retained in the coating on the second alloy. A coupled thermodynamic-kinetic model showed that the disappearance of the Al-rich phase in the coating on 31V was mainly due to the combined effect of steeper chemical potential gradients of Al and Ti between the coating and the substrate and their faster diffusivities compared to the coated developmental alloy. Finally, a higher content of Fe was shown to support the retention of β-(NiFe)Al phase in the coating on the developmental alloy while the presence of Ti in the alloy was shown to be detrimental for long-term coating performance.

36 MATERIALS SCIENCE↗