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Results for “diffusion couples”

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 163 records · Page 9
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

In situ synchrotron investigation of degenerate graphite nodule evolution in ductile cast iron

Ductile cast irons (DCIs) are of increasing importance in the renewable energy and transportation sectors. The distribution and morphology of the graphite nodules, in particular the formation of degenerate features during solidification, dictate the mechanical performance of DCIs. In situ high-speed synchrotron X-ray tomography was used to capture the evolution of graphite nodules during solidification of DCI, including degenerate features and the effect of the carbon concentration field. The degeneration of nodules is observed to increase with re-melting cycles, which is attributed to Mg-loss. The dendritic primary austenite and carbon concentration gradients in the surrounding liquid phase were found to control nodule morphology by locally restricting and promoting growth. A coupled diffusion-mechanical model was developed, confirming the experimentally informed hypothesis that protrusions form through liquation cracking of the austenite shell and subsequent localised growth. In conclusion, these results provide valuable insights into the solidification kinetics of cast irons, supporting the design of advanced alloys.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Calibration of the sub-aperture backscatter system on OMEGA EP

The sub-aperture backscatter (SABS) diagnostic on the OMEGA EP Laser System is a diagnostic that is used to measure the backscattered and sidescattered light during laser–plasma interaction experiments that are relevant to high-energy-density physics and inertial confinement fusion. The diagnostic collects stimulated Brillouin scattering (SBS) UV light at around 351 nm and stimulated Raman scattering (SRS) in the visible-light regime in the 420–720-nm-wavelength range and provides spectrally and temporally resolved information. Five 1-in. light collectors, composed of a lens, ground glass diffuser, and coupling into a 300-μm fiber, are positioned behind the last steering mirror on one of the four beamlines to catch a portion of the beam cross section (~1.5%) of the emission that is scattered into the beamline. The SRS light is collected in two light collectors, combined, and transported via graded index fibers to a streaked spectrometer. The SABS-SRS streak spectrometer has a temporal and spectral resolution of 100 ps and 1 nm, respectively. Three other light collectors collect, combine, and transport the SBS signal to a Hamamatsu high-voltage photodiode, where an oscilloscope digitizes the data, providing a time resolution of better than 1 ns. To obtain an absolute energy calibration of SRS measurements, light signals of known energy and wavelength were injected into the light collectors one at a time. The resulting counts on the streak camera charge-coupled device for SRS are then correlated with the incident fluence of scattered light at the light collector in order to allow a quantitative assessment of streak camera sensitivity to determine the energy of the scattered light during experiments. The measurements were performed in situ from the light collectors to the detectors. Other offline measurements provided the transmission of the optics between the target chamber center and the light collectors.

47 OTHER INSTRUMENTATION↗
DOE OSTI2022

Multilayer interface tracking model of pure tungsten oxidation

Here, we present a numerical model to predict oxide scale growth on tungsten surfaces under exposure to oxygen at high temperatures. The model captures the formation of four thermodynamically-compatible oxide sublayers, WO 2 , WO 2.72 , WO 2.9 , and WO 3 , on top of the metal substrate. Oxide layer growth is simulated by tracking the oxide/oxide and oxide/metal interfaces using a sharp-interface Stefan model coupled to diffusion kinetics. The model is parameterized using selected experimental measurements and electronic structure calculations of the diffusivities of all the oxide subphases involved. We simulate oxide growth at temperatures of 600°C and above, extracting the power law growth exponents in each case, which we find to deviate from classical parabolic growth in several cases. We conduct a comparison of the model predictions with an extensive experimental data set, with reasonable agreement at most temperatures. While many gaps in our understanding still exist, this work is a first attempt at embedding the thermodynamic and kinetic complexity of tungsten oxide growth into a comprehensive mesoscale kinetic model that attempts to capture the essential features of tungsten oxidation to fill existing knowledge gaps and guide and enhance future tungsten oxidation models.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Charge Transport and Space-Charge Formation in Cd 1 - x Zn x Te 1 - y Se y Radiation Detectors

The electron- and hole-transport properties in cadmium zinc telluride selenide (CZTS) crystals are studied using a laser-induced transient-current technique with pulsed and dc bias. The internal electric field profile and velocity of surface recombination are determined by Monte Carlo simulations of electron and hole transient currents combined with a numerical solution of the drift-diffusion equation coupled with Poisson’s equation. Electron and hole drift mobilities of μe = 830 cm 2 /Vs and μh = 40 cm 2 /Vs, respectively, are determined. We also develop a simple technique for evaluating surface recombination directly from measured current waveforms without the need for numerical simulation. The good quality of the prepared detector at pulsed bias, with electron- and hole-mobility-lifetime products of (μτ)e = 1.9 × 10 -3 cm 2 /V and (μτ)h = 1.4 × 10 -4 cm 2 /V, respectively, are observed. The formation of a positive space charge, originating from hole injection combined with a recombination level, is found. We observe a significant position dependence of the lifetime of electrons and holes in dc bias due to hole injection. The experiment is successfully fitted by a simple model dominated by a single deep recombination level with an energy of E t =E C -0.73eV; concentration of 7.3 × 10 11 cm -3 ; and electron- and hole-capture cross sections of 3.5 × 10 -14 cm 2 and 6.5 × 10 -14 cm 2 , respectively.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2021

Microemulsions in the driven Widom-Rowlinson lattice gas

An investigation of the two-dimensional Widom-Rowlinson lattice gas under an applied drive uncovered a remarkable nonequilibrium steady state in which uniform stripes (reminiscent of an equilibrium lamellar phase) form perpendicular to the drive direction [R. Dickman and R. K. P. Zia, Phys. Rev. E 97, 062126 (2018)]. Here we study this model at low particle densities in two and three dimensions, where we find a disordered phase with a characteristic length scale (a “microemulsion”) along the drive direction. Further we develop a continuum theory of this disordered phase to derive a coarse-grained field-theoretic action for the nonequilibrium dynamics. The action has the form of two coupled driven diffusive systems with different characteristic velocities, generated by an interplay between the particle repulsion and the drive. We then show how fluctuation corrections in the field theory may generate the characteristic features of the microemulsion phase, including a peak in the static structure factor corresponding to the characteristic length scale. This work lays the foundation for understanding the stripe phenomenon more generally.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2021

Modeling Coupled Chemo-Mechanical Behavior of Randomly Oriented NMC811 Polycrystalline Li-Ion Battery Cathodes

This paper develops a three-dimensional, transient, chemo-mechanical model that predicts the performance of single secondary particle Li-ion battery cathodes. The secondary particles are composed of numerous (approximately 60) randomly oriented single-crystal primary particles. The model incorporates concentration-dependent and anisotropic material properties. As much as possible, electrochemical, transport, and structural properties for crystalline NMC811 (Li x Ni 0.8 Mn 0.1 Co 0.1 O 2 ) are taken from prior publications. Weak Van der Waals bonding between primary particles is modeled empirically using a spring analogy, which enables local primary-particle separations (disintegration) and subsequent reattachments. The model fully couples Li diffusion and the mechanical response. Results include predictions of local Li-concentrations and stresses. High stresses are found near grain boundaries, especially when the lattice orientations are greatly misaligned. Particle separations are characterized in terms of a damage parameter. The model is used to predict the effects of design and operating conditions, including charge/discharge rates, cycling scenarios, and particle sizes.

25 ENERGY STORAGE↗
DOE OSTI2020

Physics-Informed Machine Learning for Epidemiological Models

One challenge of using compartmental SEIR models for public health planning is the difficulty in manually tuning parameters to capture behavior reflected in the real-world data. This team conducted initial, exploratory analysis of a novel technique to use physics-informed machine learning tools to rapidly develop data-driven models for physical systems. This machine learning approach may be used to perform data assimilation of compartment models which account for unknown interactions between geospatial domains (i.e. diffusion processes coupling across neighborhoods/counties/states/etc.). Results presented here are early, proof-of-concept ideas that demonstrate initial success in using a physically informed neural network (PINN) model to assimilate data in a compartmental epidemiology model. The results demonstrate initial success and warrant further research and development.

60 APPLIED LIFE SCIENCES↗
NASA NTRS1988

Electrochemical Growth Of Crystals In Gels

Nucleation and growth rates readily controlled. Technique developed to grow crystals by controlling rate of transfer of one component into crystallization volume. Method involves electrochemically controlled generation of one of precipitation species, coupled with diffusion barrier. New procedure, developed in connection with formation of lead tin telluride by reaction in gels of metal ions with telluride ions.

Barber, Patrick G.↗
NASA NTRS1993

Immiscible phase incorporation during directional solidification of hypermonotectics

Solidification processes in immiscible samples were investigated by directly observing the events taking place at the solid-liquid interface during directional solidification. Visualization of these events was made possible through the use of a transparent metal analog system and a temperature gradient stage assembly fitted to an optical microscope. The immiscible transparent analog system utilized was the succinonitrile-glycerol system. This system has been shown to exhibit the same morphological transitions as observed in metallic alloys of monotectic composition. Both monotectic and hypermonotectic composition samples were directionally solidified in order to gain an improved understanding of the manner in which the excess hypermonotectic liquid is incorporated into the solidifying structure. The processing conditions utilized prevented sedimentation of the excess hypermonotectic liquid by directionally solidifying the samples in very thin (13 microns), horizontally oriented cells. High thermal gradient to growth rate ratios (G/R) were used in an effort to prevent constitutional supercooling and the subsequent formation of L(sub 2) droplets in advance of the solidification front during the growth of fibrous composite structures. Results demonstrated that hypermonotectic composites could be produced in samples up to two weight percent off of the monotectic composition by using a G/R ratio greater than or equal to 4.6 x 10(exp 4) C(s)/mm(sup 2) to avoid constitutional supercooling. For hypermonotectic samples processed with G/R ratios below 4.6 x 10(exp 4) C(s)/mm(sup 2), constitutional supercooling occurred and resulted in slight interfacial instability. For these samples, two methods of incorporation of the hypermonotectic liquid were observed and are reported. The correlation between the phase spacing, lambda, and the growth rate, R, was examined and was found to obey a relationship generally associated with a diffusion controlled coupled growth process. For samples with compositions ranging from the monotectic composition up to 2 percent off of the monotectic composition, data indicated that the square of the phase spacing (lambda) varied linearly with the inverse of the growth rate (R).

Andrews, J. Barry↗
NASA NTRS1993

Convective instabilities in traveling fronts of addition polymerization

An autocatalytic reaction in an unstirred vessel can support a constant velocity wavefront resulting from the coupling of diffusion to the chemical reaction. A flare front is a common example in which heat is the autocatalytic species that diffuses into unreacted regions stimulating a reaction that produces more heat. Traveling fronts were studied in synthetic polymerization reactions under high pressure by workers in the former USSR. More recently, propagating fronts of methacrylic acid polymerization were studied under ambient conditions, both with video techniques and by NMR.

Pojman, John A.↗
NASA NTRS1998

Coordinated Studies of Magnetospheric/Ionospheric Coupling and Dynamics in the Diffuse Aurora

The results of the studies carried out under the grant are described in detail in the following publications: Atmospheric Response in Aurora experiment: Observations of E and F region neutral winds in a region of postmidnight diffuse aurora; Walterscheid, Modified geostrophy in the thermosphere, ARIA II neutral flywheel-driven field-aligned currents in the postmidnight sector of the auroral oval: A case study; Observations of unstable atmospheric shear layers in the lower E region in the post-midnight auroral oval; and Depletion of oxygen in aurora: Evidence for a local mechanism. The objective of the Atmospheric Response in Aurora (ARIA) experiment was to measure the response of the E-region neutral flow to substorm activity in the post-midnight sector of the auroral oval. To this end, neutral wind profiles were obtained from a series of four sets of rocket flights using the chemical release technique. The measurements covered conditions ranging from quiet to disturbed. A consistent feature of the observed winds in disturbed conditions is the presence of an E-region jet located between approximately 110 and 120 km altitude. The profiles presented here show that the neutral wind speeds near 110-120 km altitude increase and the hodographs become more elongated or linear in response to higher magnetic activity levels. The wind speeds decrease and the hodographs become more circular as the activity level decreases. The presence of a wind maximum implies shears both above and below. The observations consistently show larger shears below the peak and smaller shears above. In fact, the bottom-side shears during disturbed conditions have Richardson numbers close to or below the critical value of 0.25 suggesting that the flow is highly unstable in that height range. The instability is expected to produce waves, turbulence, and enhanced diffusivity.

Larsen, M. F.↗
NASA NTRS2003

Particle Engulfment and Pushing By Solidifying Interfaces

The study of particle behavior at solid/liquid interfaces (SLI s) is at the center of the Particle Engulfment and Pushing (PEP) research program. Interactions of particles with SLI s have been of interest since the 1960 s, starting with geological observations, i.e., frost heaving. Ever since, this field of research has become significant to such diverse areas as metal matrix composite materials, fabrication of superconductors, and inclusion control in steels. The PEP research effort is geared towards understanding the fundamental physics of the interaction between particles and a planar SLI. Experimental work including 1-g and mu-g experiments accompany the development of analytical and numerical models. The experimental work comprised of substantial groundwork with aluminum (Al) and zinc (Zn) matrices containing spherical zirconia particles, mu-g experiments with metallic Al matrices and the use of transparent organic metal-analogue materials. The modeling efforts have grown from the initial steady-state analytical model to dynamic models, accounting for the initial acceleration of a particle at rest by an advancing SLI. To gain a more comprehensive understanding, numerical models were developed to account for the influence of the thermal and solutal field. Current efforts are geared towards coupling the diffusive 2-D front tracking model with a fluid flow model to account for differences in the physics of interaction between 1-g and -g environments. A significant amount of this theoretical investigation has been and is being performed by co-investigators at NASA MSFC.

Source record↗
DOE OSTI2025

Chemo‐Mechanical Coupling in Hydrogels: Dynamics in the Diffusion‐Limited Regime

Hydrogels are characterized by substantial volume changes in response to external stimuli, making them promising candidates for developing smart materials with enhanced adaptability and responsiveness. By integrating chemical reactions, hydrogels acquire dynamic and tunable responsiveness to external stimuli through chemo‐mechanical coupling, expanding their potential in emerging applications. However, capturing their transient behavior remains challenging due to the complex interplay of chemical reactions, solvent transport, and polymer network deformation. Classical theories capture equilibrium swelling but fail to describe time‐dependent phenomena. To address this, a time‐dependent continuum model is developed that explicitly couples these processes. Volume phase transition in hydrogels with homogeneous chemical reactions is investigated, then the effects of reaction kinetics on these transitions are analyzed. The coupling of these mechanisms is further explored through a study of transient mechanical instabilities. To illustrate the impact of distinct reaction and diffusion timescales, a photo‐active gripper is studied for robotic applications. Finally, a photo‐active microswimmer that exhibits non‐reciprocal motion is proposed to highlight the solvent diffusion for locomotion at the micro‐ and nano‐ scales. The work establishes that transient dynamics of chemo‐mechanical hydrogels generate functions not accessible by steady state models and provides a predictive platform for designing adaptive materials in emerging applications.

chemo-mechanical coupling↗
NASA NTRS1971

Stagnation region heating of a phenolic-nylon ablator during return from planetary missions

The results of a stagnation-line analysis of the radiative heating of a phenolic-nylon ablator are reported. The analysis includes flowfield coupling with the ablator surface, equilibrium chemistry, multicomponent or binary diffusion and a coupled line and continuum radiation calculations. Users manual and operating instructions for the computer programs listed in the report are included.

Esch, D. D.↗
DOE OSTI2021

Revealing momentum-dependent electron–phonon and phonon–phonon coupling in complex materials with ultrafast electron diffuse scattering

Abstract Despite their fundamental role in determining many important properties of materials, detailed momentum-dependent information on the strength of electron–phonon and phonon–phonon coupling across the entire Brillouin zone has remained elusive. Ultrafast electron diffuse scattering (UEDS) is a recently developed technique that is making a significant contribution to these questions. Here, we describe both the UEDS methodology and the information content of ultrafast, photoinduced changes in phonon-diffuse scattering from single-crystal materials. We present results obtained from Ni, WSe 2 , and TiSe 2 , materials that are characterized by a complex interplay between electronic (charge, spin) and lattice degrees of freedom. We demonstrate the power of this technique by unraveling carrier–phonon and phonon–phonon interactions in both momentum and time and following nonequilibrium phonon dynamics in detail on ultrafast time scales. By combining ab initio calculations with ultrafast diffuse electron scattering, insights into electronic and magnetic dynamics that impact UEDS indirectly can also be obtained. Graphic Abstract

Dürr, Hermann A. (ORCID:0000000196808730)↗