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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 1,567 records · Page 87
All sourcesNASA NTRSDOE OSTI
DOE OSTI2013

Development of Diffusion Barrier Coatings and Deposition Technologies for Mitigating Fuel Cladding Chemical Interactions (FCCI)

The goal of this project is to develop diffusion barrier coatings on the inner cladding surface to mitigate fuel-cladding chemical interaction (FCCI). FCCI occurs due to thermal and radiation enhanced inter-diffusion between the cladding and fuel materials, and can have the detrimental effects of reducing the effective cladding wall thickness and lowering the melting points of the fuel and cladding. The research is aimed at the Advanced Burner Reactor (ABR), a sodium-cooled fast reactor, in which higher burn-ups will exacerbate the FCCI problem. This project will study both diffusion barrier coating materials and deposition technologies. Researchers will investigate pure vanadium, zirconium, and titanium metals, along with their respective oxides, on substrates of HT-9, T91, and oxide dispersion-strengthened (ODS) steels; these materials are leading candidates for ABR fuel cladding. To test the efficacy of the coating materials, the research team will perform high-temperature diffusion couple studies using both a prototypic metallic uranium fuel and a surrogate the rare-earth element lanthanum. Ion irradiation experiments will test the stability of the coating and the coating-cladding interface. A critical technological challenge is the ability to deposit uniform coatings on the inner surface of cladding. The team will develop a promising non-line-of-sight approach that uses nanofluids . Recent research has shown the feasibility of this simple yet novel approach to deposit coatings on test flats and inside small sections of claddings. Two approaches will be investigated: 1) modified electrophoretic deposition (MEPD) and 2) boiling nanofluids. The coatings will be evaluated in the as-deposited condition and after sintering.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2013

Thin Oxides as a Cu Diffusion Barrier for NIF Be Ablator Capsules

The NIF point design uses a five-layer capsule to modify the X-ray absorption in order to achieve optimized shock timing. A stepped copper dopant design defines the layer structure. The production of the capsule involves pyrolysis to remove the inner plastic mandrel. Copper atoms diffuse radially and azimuthally throughout the capsule during pyrolysis. This diffusion significantly diminishes the capsule performance during implosion. Thermal and coated oxide barrier layers employed between layers mitigate the diffusion of copper during the mandrel removal process. The copper atoms do not diffuse through this barrier during pyrolysis. A capsule fabrication method that produces a capsule with a thin oxide layer will be discussed.

42 ENGINEERING↗
DOE OSTI2018

Expanding the capability of reaction-diffusion codes using pseudo traps and temperature partitioning: Applied to hydrogen uptake and release from tungsten

Simulating the implantation and thermal desorption evolution in a reaction-diffusion model requires solving a set of coupled differential equations that describe the trapping and release of atomic species in Plasma Facing Materials (PFMs). These fundamental equations are well outlined by the Tritium Migration Analysis Program (TMAP) which can model systems with no more than three active traps per atomic species. To overcome this limitation, we have developed a Pseudo Trap and Temperature Partition (PTTP) scheme allowing us to lump multiple inactive traps into one pseudo trap, simplifying the system of equations to be solved. For all temperatures, we show the trapping of atoms from solute is exactly accounted for when using a pseudo trap. However, a single effective pseudo trap energy can not well replicate the release from multiple traps, each with its own detrapping energy. However, atoms held in a high energy trap will remain trapped at relatively low temperatures, and thus there is a temperature range in which release from high energy traps is effectively inactive. By partitioning the temperature range into segments, a pseudo trap can be defined for each segment to account for multiple high energy traps that are actively trapping but are effectively not releasing atoms. With increasing temperature, as in controlled thermal desorption, the lowest energy trap is nearly emptied and can be removed from the set of coupled equations, while the next higher energy trap becomes an actively releasing trap. Each segment is thus calculated sequentially, with the last time step of a given segment solution being used as an initial input for the next segment as only the pseudo and actively releasing traps are modeled. This PTTP scheme is then applied to experimental thermal desorption data for tungsten (W) samples damaged with heavy ions, which display six distinct release peaks during thermal desorption. Without modifying the TMAP7 source code the PTTP scheme is shown to successfully model the D retention in all six traps. In conclusion, we demonstrate the full reconstruction from the plasma implantation phase through the controlled thermal desorption phase with detrapping energies near 0.9, 1.1, 1.4, 1.7, 1.9 and 2.1 eV for a W sample damaged at room temperature.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
NASA NTRS2006

Carbon-Nanotube-Carpet Heat-Transfer Pads

Microscopic thermal-contact pads that include carpet-like arrays of carbon nanotubes have been invented for dissipating heat generated in integrated circuits and similarly sized single electronic components. The need for these or other innovative thermal-contact pads arises because the requisite high thermal conductances cannot be realized by scaling conventional macroscopic thermal-contact pads down to microscopic sizes. Overcoming limitations of conventional thermal-contact materials and components, the carbon-nanotube thermal-contact pads offer the high thermal conductivities needed to accommodate the high local thermal power densities of modern electronic circuits, without need for large clamping pressures, extreme smoothness of surfaces in contact, or gap-filling materials (e.g., thermally conductive greases) to ensure adequate thermal contact. Moreover, unlike some conventional thermal-contact components, these pads are reusable. The figure depicts a typical pad according to the invention, in contact with a rough surface on an electronic component that is to be cooled. Through reversible bending and buckling of carbon nanotubes at asperities on the rough surface, the pad yields sufficiently, under relatively low contact pressure, that thermal contact is distributed to many locations on the surface to be cooled, including valleys where contact would not ordinarily occur in conventional clamping of rigid surfaces. Hence, the effective thermal-contact area is greater than that achievable through scaling down of a macroscopic thermal-contact pad. The extremely high longitudinal thermal conductivities of the carbon nanotubes are utilized to conduct heat away from potential hot spots on the surface to be cooled. The fibers protrude from a layer of a filler material (Cu, Ag, Au, or metal-particle- filled gels), which provides both mechanical support to maintain the carbon nanotubes in alignment and thermal conductivity to enhance the diffusion of concentrated heat from the nanotubes into the larger adjacent volume of a heat sink. The array of carbon nanotubes, the filler material, and the heat sink are parts of a unitary composite structure that is fabricated as follows: 1. Using techniques that have been reported previously, the array of substantially perpendicularly oriented carbon nanotubes is grown on a metal, silicon, or other suitable thermally conductive substrate that is intended to become the heat sink. 2. By means of chemical vapor deposition, physical vapor deposition, plasma deposition, ion sputtering, electrochemical deposition, or casting from a liquid phase, some or all of the interstitial volume between carbon nanotubes is filled with the aforementioned layer of mechanically supporting, thermally conductive material. 3. To cause the carbon nanotubes to protrude the desired length from the filler material, an outer layer of filler is removed by mechanical polishing, chemical mechanical polishing, wet chemical etching, electrochemical etching, or dry plasma etching.

Li, Jun↗
DOE OSTI2014

Full-dispersion Monte Carlo simulation of phonon transport in micron-sized graphene nanoribbons

We simulate phonon transport in suspended graphene nanoribbons (GNRs) with real-space edges and experimentally relevant widths and lengths (from submicron to hundreds of microns). The full-dispersion phonon Monte Carlo simulation technique, which we describe in detail, involves a stochastic solution to the phonon Boltzmann transport equation with the relevant scattering mechanisms (edge, three-phonon, isotope, and grain boundary scattering) while accounting for the dispersion of all three acoustic phonon branches, calculated from the fourth-nearest-neighbor dynamical matrix. We accurately reproduce the results of several experimental measurements on pure and isotopically modified samples [S. Chen et al., ACS Nano 5, 321 (2011);S. Chen et al., Nature Mater. 11, 203 (2012); X. Xu et al., Nat. Commun. 5, 3689 (2014)]. We capture the ballistic-to-diffusive crossover in wide GNRs: room-temperature thermal conductivity increases with increasing length up to roughly 100 μm, where it saturates at a value of 5800 W/m K. This finding indicates that most experiments are carried out in the quasiballistic rather than the diffusive regime, and we calculate the diffusive upper-limit thermal conductivities up to 600 K. Furthermore, we demonstrate that calculations with isotropic dispersions overestimate the GNR thermal conductivity. Zigzag GNRs have higher thermal conductivity than same-size armchair GNRs, in agreement with atomistic calculations.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2015

ACCELERATION OF THERMAL PROTONS BY GENERIC PHENOMENOLOGICAL MECHANISMS

We investigate heating and acceleration of protons from a thermal gas with a generic diffusion and acceleration model, and subject to Coulomb scattering and energy loss, as was done by Petrosian and East for electrons. As protons gain energy their loss to electrons becomes important. Thus, we need to solve the coupled proton–electron kinetic equation. We numerically solve the coupled Fokker–Planck equations and compute the time evolution of the spectra of both particles. We show that this can lead to a quasi-thermal component plus a high-energy nonthermal tail. We determine the evolution of the nonthermal tail and the quasi-thermal component. The results may be used to explore the possibility of inverse bremsstrahlung radiation as a source of hard X-ray emissions from hot sources such as solar flares, accretion disk coronas, and the intracluster medium of galaxy clusters. We find that the emergence of nonthermal protons is accompanied by excessive heating of the entire plasma, unless the turbulence needed for scattering and acceleration is steeper than Kolmogorov and the acceleration parameters, the duration of the acceleration, and/or the initial distributions are significantly fine-tuned. These results severely constrain the feasibility of the nonthermal inverse bremsstrahlung process producing hard X-ray emissions. However, the nonthermal tail may be the seed particles for further re-acceleration to relativistic energies, say by a shock. In the Appendix we present some tests of the integrity of the algorithm used and present a new formula for the energy loss rate due to inelastic proton–proton interactions.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2020

Quantum prediction of ultra-low thermal conductivity in lithium intercalation materials

Lithium-intercalated layered transition-metal oxides, Li x TMO 2, brought about a paradigm change in rechargeable batteries in recent decades and show promise for use in memristors, a type of device for future neural computing and on-chip storage. Thermal transport properties, although being a crucial element in limiting the charging/discharging rate, package density, energy efficiency, and safety of batteries as well as the controllability and energy consumption of memristors, are poorly managed or even understood yet. Here, for the first time, we employ quantum calculations including high-order lattice anharmonicity and find that the thermal conductivity κ of Li x TMO 2 materials is significantly lower than hitherto believed. More specifically, the theoretical upper limit of κ of LiCoO 2 is 6 W/m-K, 2–6 times lower than the prior theoretical predictions. Delithiation further reduces κ by 40–70% for LiCoO 2 and LiNbO 2 . Grain boundaries, strain, and porosity are yet additional causes of thermal-conductivity reduction, while Li-ion diffusion and electrical transport are found to have only a minor effect on phonon thermal transport. The results elucidate several long-standing issues regarding the thermal transport in lithium-intercalated materials and provide guidance toward designing high-energy-density batteries and controllable memristors.

25 ENERGY STORAGE↗
DOE OSTI2015

Toward Multi-scale Modeling and simulation of conduction in heterogeneous materials

This report summarizes a project in which the authors sought to develop and deploy: (i) experimental techniques to elucidate the complex, multiscale nature of thermal transport in particle-based materials; and (ii) modeling approaches to address current challenges in predicting performance variability of materials (e.g., identifying and characterizing physical- chemical processes and their couplings across multiple length and time scales, modeling information transfer between scales, and statically and dynamically resolving material structure and its evolution during manufacturing and device performance). Experimentally, several capabilities were successfully advanced. As discussed in Chapter 2 a flash diffusivity capability for measuring homogeneous thermal conductivity of pyrotechnic powders (and beyond) was advanced; leading to enhanced characterization of pyrotechnic materials and properties impacting component development. Chapter 4 describes success for the first time, although preliminary, in resolving thermal fields at speeds and spatial scales relevant to energetic components. Chapter 7 summarizes the first ever (as far as the authors know) application of TDTR to actual pyrotechnic materials. This is the first attempt to actually characterize these materials at the interfacial scale. On the modeling side, new capabilities in image processing of experimental microstructures and direct numerical simulation on complicated structures were advanced (see Chapters 3 and 5). In addition, modeling work described in Chapter 8 led to improved prediction of interface thermal conductance from first principles calculations. Toward the second point, for a model system of packed particles, significant headway was made in implementing numerical algorithms and collecting data to justify the approach in terms of highlighting the phenomena at play and pointing the way forward in developing and informing the kind of modeling approach originally envisioned (see Chapter 6). In both cases much more remains to be accomplished.

36 MATERIALS SCIENCE↗
NASA NTRS1992

Convective effects during the physical vapor transport process. I - Thermal convection

The effects of convection on diffusive-convective physical vapor transport process are examined computationally. We analyze conditions ranging from typical laboratory conditions to conditions achievable only in a low gravity environment. This corresponds to thermal Rayleigh numbers Ra(T) ranging from 1.80 to 1.92 x 10 exp 6. Our results indicate that the effect of the sublimation and condensation fluxes at the boundaries is 10 increase the threshold of instability. For typical ground based conditions time dependent oscillatory convection can occur. This results in nonuniform temperature and concentration gradients at the crystal interface. Spectral analysis of the flow field shows regions of both periodic and quasi-periodic states. Low gravity conditions can effectively reduce convective effects, thus resulting in uniform temperature and concentration gradients at the interface, a desirable condition for crystal growth.

Duval, Walter M. B.↗
NASA NTRS1994

Convection in the Physical Vapor Transport Process: Thermal - 1

The effects of convection on diffusive-convective physical vapor transport process are examined computationally. We analyze conditions ranging from typical laboratory conditions to conditions achievable only in a low gravity environment. This corresponds to thermal Rayleigh numbers Ra(sub tau) ranging from 1.80 x 10 to 1.92 x 10(exp 6). Our results indicate that the effect of the sublimation and condensation fluxes at the boundaries is to increase the threshold of instability. For typical ground based conditions, time dependent oscillatory convection can occur. This results in unsteady transport, and non-uniform temperature and concentration gradients at the crystal interface. Spectral analysis of the flow field shows parametric regions exhibiting both an oscillatory approach to steady state and a chaotic transient to a periodic state. Low gravity conditions stabilize the flow field. Convective effects are effectively reduced, thus resulting in uniform temperature and concentration gradients at the interface, a desirable condition for crystal growth.

Duval, Walter M. B.↗
NASA NTRS1978

Eddy diffusivities within Jupiter

The Flasar and Gierasch (1977) model for small-scale thermally driven turbulent convection in rapidly rotating systems is used to estimate eddy diffusivities within Jupiter's atmosphere and interior. It is assumed that heat transport is governed by a mixing-length law, that Jupiter's interior heat flow derives from thermal cooling, and that the entropy loss per nucleon is uniform throughout. A characteristic scalar diffusivity is obtained as a function of pressure level and latitude. The results show that the latitude variation in the diffusivity might be as large as a factor of 100 at 4600 bars. The consequences of such variations are considered.

Flasar, F. M.↗
NASA NTRS1981

Color and temperature signatures of ocean fronts observed with the Nimbus-7 CZCS

The Nimbus-7 Coastal Zone Color Scanner has a unique capability for imaging simultaneously the optical (ocean color) and surface temperature (thermal infrared) signatures of ocean fronts. Examples of such color and temperature visualizations of some ocean fronts delineate virtually identical morphology. In other cases, however, the two signatures are displaced horizontally by tens of km, and display markedly different morphology and fine structure. For example, an image of the Gulf Stream's north wall over the Grand Banks shows the sharpest color front to occur approximately 50 km away from the sharpest temperature front. Moreover, the fine structure of the color front is qualitatively suggestive of disorganized turbulent diffusion, whereas that of the thermal front shows distinctive shear instabilities. These differences can occur because the infrared temperature image represents the top 0.05 millimeter of the sea surface, whereas the ocean color image represents the upper meters to decameters of the sea.

Mueller, J. L.↗
DOE OSTI2017

Kinetic energy dependence of carrier diffusion in a GaAs epilayer studied by wavelength selective PL imaging

Photoluminescence (PL) imaging has been shown to be an efficient technique for investigating carrier diffusion in semiconductors. In the past, the measurement was typically carried out by measuring at one wavelength (e.g., at the band gap) or simply the whole emission band. At room temperature in a semiconductor like GaAs, the band-to-band PL emission may occur in a spectral range over 200 meV, vastly exceeding the average thermal energy of about 26 meV. To investigate the potential dependence of the carrier diffusion on the carrier kinetic energy, we performed wavelength selective PL imaging on a GaAs double hetero-structure in a spectral range from about 70 meV above to 50 meV below the bandgap, extracting the carrier diffusion lengths at different PL wavelengths by fitting the imaging data to a theoretical model. The results clearly show that the locally generated carriers of different kinetic energies mostly diffuse together, maintaining the same thermal distribution throughout the diffusion process. Potential effects related to carrier density, self-absorption, lateral wave-guiding, and local heating are also discussed.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2015

Controllable Growth of Perovskite Films by Room‐Temperature Air Exposure for Efficient Planar Heterojunction Photovoltaic Cells

Abstract A two‐step solution processing approach has been established to grow void‐free perovskite films for low‐cost high‐performance planar heterojunction photovoltaic devices. A high‐temperature thermal annealing treatment was applied to drive the diffusion of CH 3 NH 3 I precursor molecules into a compact PbI 2 layer to form perovskite films. However, thermal annealing for extended periods led to degraded device performance owing to the defects generated by decomposition of perovskite into PbI 2 . A controllable layer‐by‐layer spin‐coating method was used to grow “bilayer” CH 3 NH 3 I/PbI 2 films, and then drive the interdiffusion between PbI 2 and CH 3 NH 3 I layers by a simple air exposure at room temperature for making well‐oriented, highly crystalline perovskite films without thermal annealing. This high degree of crystallinity resulted in a carrier diffusion length of ca. 800 nm and a high device efficiency of 15.6 %, which is comparable to values reported for thermally annealed perovskite films.

Yang, Bin↗
DOE OSTI2015

Controllable Growth of Perovskite Films by Room-Temperature Air Exposure for Efficient Planar Heterojunction Photovoltaic Cells

A two-step-solution-processing approach has been established to grow void-free perovskite films for low-cost and high-performance planar heterojunction photovoltaic devices. We generally applied a high-temperature thermal annealing treatment in order to drive the diffusion of CH 3 NH 3 I precursor molecules into the compact PbI 2 layer to form perovskite films. But, thermal annealing for extended periods would lead to degraded device performance due to the defects generated by decomposition of perovskite into PbI 2 . In this work, we explored a controllable layer-by-layer spin-coating method to grow bilayer CH 3 NH 3 I/PbI 2 films, and then drive the interdiffusion between PbI 2 and CH 3 NH 3 I layers by a simple room-temperature-air-exposure for making well-oriented, highly-crystalline perovskite films without thermal annealing. This high degree of crystallinity resulted in a carrier diffusion length of ~ 800 nm and high device efficiency of 15.6%, which is comparable to the reported values from thermally-annealed perovskite films based counterparts. Finally, the simplicity and high device performance of this processing approach is highly promising for direct integration into industrial-scale device manufacture.

14 SOLAR ENERGY↗
DOE OSTI2021

Diffusion energy barrier of Au on Bi 2 Se 3 : theory and experiment

The stability and diffusion of ultra-thin thermally deposited Au films on Bi 2 Se 3 was studied using scanning tunneling microscopy and density functional theory calculations. The Au/Bi 2 Se 3 interface is of interest as gold is predicted to provide excellent electrical contact while maintaining the spin-polarized characteristics of the electronic states in Bi 2 Se 3 that make the material attractive for spintronic applications. When deposited at room temperature, Au 10 covers the surface with tightly packed islands of nanometer scale dimension. The surface morphology is stable up to 400K. At this annealing temperature, Au atoms have sufficient energy to diffuse across the surface and aggregate into larger nanostructures. At 550K, the Bi 2 Se 3 surface is only sparsely covered, and the Au has formed clusters with length scales 5-10 times larger than the original islands formed at room temperature. Comparison of the experiment and first principle calculation lead to the conclusion that the diffusion energy barrier for Au on Bi 2 Se 3 is as high as 0.47 eV, 15 which is much larger than diffusion barriers on other van der Waals materials.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2023

Unconventional colloidal aggregation in chiral bacterial baths

Abstract When in equilibrium, thermal forces agitate molecules, which then diffuse, collide and bind to form materials. However, the space of accessible structures in which micron-scale particles can be organized by thermal forces is limited, owing to the slow dynamics and metastable states. Active agents in a passive fluid generate forces and flows, forming a bath with active fluctuations. Two unanswered questions are whether those active agents can drive the assembly of passive components into unconventional states and which material properties they will exhibit. Here we show that passive, sticky beads immersed in a bath of swimmingEscherichia colibacteria aggregate into unconventional clusters and gels that are controlled by the activity of the bath. We observe a slow but persistent rotation of the aggregates that originates in the chirality of theE. coliflagella and directs aggregation into structures that are not accessible thermally. We elucidate the aggregation mechanism with a numerical model of spinning, sticky beads and reproduce quantitatively the experimental results. We show that internal activity controls the phase diagram and the structure of the aggregates. Overall, our results highlight the promising role of active baths in designing the structural and mechanical properties of materials with unconventional phases.

Physics↗
DOE OSTI2014

Effect of the wire width on the intrinsic detection efficiency of superconducting-nanowire single-photon detectors

A thorough spectral study of the intrinsic single-photon detection efficiency in superconducting TaN and NbN nanowires with different widths has been performed. The experiment shows that the cut-off of the intrinsic detection efficiency at near-infrared wavelengths is most likely controlled by the local suppression of the barrier for vortex nucleation around the absorption site. Beyond the cut-off quasi-particle diffusion in combination with spontaneous, thermally activated vortex crossing explains the detection process. For both materials, the reciprocal cut-off wavelength scales linearly with the wire width where the scaling factor agrees with the hot-spot detection model.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗