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Results for “Diffusion Couple”

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 73 records · Page 4
All sourcesNASA NTRSDOE OSTI
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 OSTI2025

A GPU Accelerated Mixed‐Precision Finite Difference Informed Random Walker (FDiRW) Solver for Strongly Inhomogeneous Diffusion Problems

In nature, many complex multi‐physics coupling problems exhibit significant diffusivity inhomogeneity, where one process occurs several orders of magnitude faster than others temporally. Simulating rapid diffusion alongside slower processes demands intensive computational resources due to the necessity for small time steps. To address these computational challenges, we have developed an efficient numerical solver named Finite Difference informed Random Walker (FDiRW). In this study, we propose a GPU‐accelerated, mixed‐precision configuration for the FDiRW solver to maximize efficiency through GPU multi‐threaded parallel computation and lower precision computation. Numerical evaluation results reveal that the proposed GPU‐accelerated mixed‐precision FDiRW solver can achieve a 117× speedup over the CPU baseline, while an additional 1.75× speedup is achieved by employing lower precision GPU computation. Notably, for large model sizes, the GPU‐accelerated mixed‐precision FDiRW solver demonstrates strong scaling with the number of nodes used in simulation. When simulating radionuclide absorption processes by porous wasteform particles with a medium‐sized model of 192 × 192 × 192, this approach reduces the total computational time to 10 min, enabling the simulation of larger systems with strongly inhomogeneous diffusivity.

97 MATHEMATICS AND COMPUTING↗
NASA NTRS1985

Measurement and Modeling of the Optical Scattering Properties of Crop Canopies

The specular reflection process is shown to be a key aspect of radiation transfer by plant canopies. Polarization measurements are demonstrated as the tool for determining the specular and diffuse portions of the canopy radiance. The magnitude of the specular fraction of the reflectance is significant compared to the magnitude of the diffuse fraction. Therefore, it is necessary to consider specularly reflected light in developing and evaluating light-canopy interaction models for wheat canopies. Models which assume leaves are diffuse reflectors correctly predict only the diffuse fraction of the canopy reflectance factor. The specular reflectance model, when coupled with a diffuse leaf model, would predict both the specular and diffuse portions of the reflectance factor. The specular model predicts and the data analysis confirms that the single variable, angle of incidence of specularly reflected sunlight on the leaf, explains much of variation in the polarization data as a function of view-illumination directions.

Vanderbilt, V. C.↗
DOE OSTI2025

A Transferable Force Field for Predicting Adsorption and Diffusion of Water in Cationic Zeolites with Coupled Cluster Accuracy

We present a transferable force field for water in proton-exchanged, alkali (Li, Na, K, Rb, and Cs) metal-exchanged, and alkaline-earth (Mg, Ca, Sr, and Ba) metal-exchanged zeolites. The fitting methodology is based on adsorbate–adsorbent interaction energies obtained from periodic density functional theory calculations and corrected using the coupled-cluster method applied to small model clusters. To ensure an accurate prediction of both adsorption and diffusion properties of water, sets of configurations that sample both adsorption sites and intracrystalline hopping transition states were used in the fitting. The quality of the force field is assessed for a wide range of zeolites with different topologies and chemical compositions, demonstrating good agreement between theoretical predictions and experimental measurements of water adsorption and diffusion.

Adsorption↗
DOE OSTI2024

A finite difference informed random walker (FDiRW) solver for strongly inhomogeneous diffusion problems

In nature, many complex multi-physics coupling problems exhibit strong diffusivity inhomogeneity. For instance, in the context of radionuclide absorption by porous wasteform materials within a flowing waste stream, the difference of species’ diffusivity in solid and liquid phases spans by 3~8 orders of magnitude. To solve the diffusion equations with strongly inhomogeneous diffusivity, traditional discretization-based methods, such as the Finite Difference Method (FDM), require infinitesimally small time steps (<10 -10 ) as high spatial resolutions are employed in most microstructure evolution processes, leading to prohibitively high computational costs. Here, this work developed an integrated numerical approach (FDiRW: Finite Difference informed Random Walk) to tackle this challenge. The idea is that utilizing the Random Walk concept, the fast diffusion is modeled as a superposition of point source’s solution for a concentration distribution while FDM is used to obtain the point source’s solution at each node. A mesh-coarsening algorithm is developed to generate an exclusive coarse mesh for FDiRW approach to maximize its efficiency. The effectiveness of the coarse mesh-based FDiRW approach is validated by benchmarking Finite Difference solutions. Numerical results demonstrated that FDiRW achieves a remarkable 1000x computational efficiency improvement over FDM while preserving desired accuracy for a medium-sized model of 192 × 192 × 192 grids. Finally, as models scale up, a floating-point operations (PLOPs) analysis of the FDiRW algorithm reveals that its computational complexity grows quadratically in terms of the number of nodes employed in computation.

36 MATERIALS SCIENCE↗
DOE OSTI2026

FROMP-from-Monomer

This repository provides the 1D reaction-diffusion simulation engine for the multi-scale framework. It takes monomer-level kinetic and thermodynamic descriptors as inputs, approximated from quantum chemical calculations, to simulate and predict the macroscopic propagation behavior of Frontal Ring-Opening Metathesis Polymerization (FROMP). By solving a coupled 1D reaction-diffusion PDE system, this tool predicts front propagation speed, front temperature, and degree of conversion. The solver explicitly captures the three fundamental ROMP steps, initiator activation/inhibition, chain initiation, and propagation, while accounting for high-temperature cycloreversion as a competing pathway. The numerical implementation uses FEniCS to handle the coupled heat diffusion and reaction kinetics.

Chua, Lauren [Massachusetts Inst. of Technology (M↗
DOE OSTI2025

Asymmetric rotations slow down diffusion under confinement

Translation and rotation are the two most fundamental forms of diffusion, yet their coupling mechanism is not clear, especially under confinement. Here, we provided evidence of the coupling between rotation and translation using a substituted benzene molecule as an example. A counterintuitive behavior was observed where the movement of the smaller molecule with an asymmetric shape was unexpectedly slower than the larger one with a symmetric shape in confined channels of zeolite. We showed that this diffusion behavior was caused by the presence of the specific and selective interaction of the asymmetric guest with the pores, which increased the local restricted residence time, thus inhibiting the translation under confinement, as further confirmed by dynamic breakthrough curves, uptake measurements, quasi-elastic neutron scattering, and 2 H solid-state NMR techniques. Our work correlated asymmetric rotation and diffusion under a confined environment, which enriched our understanding of the coupling between rotation and translation and could shed light on a fundamental understanding of the diffusion process.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1985

Electrical coupling effects on the temporal evolution of F layer plasma structure

A time dependent model of F region structure decay by 'classical' cross field diffusion and electrical coupling along magnetic field lines to the E region is examined. The temporal behavior of the ion concentration fluctuations is determined by the electric field in the coupled system as well as by the initial perturbation spectra and the E region recombination rate. The formation of image structure in the E region ion concentration affects the lifetime of F layer structure in a scale size dependent way. Once an image is formed, the image amplitude and the driving F region structure amplitude decay at the same rate. At large scale sizes of at least lambda(2pi/k), this rate is proportional to k2 and the ratio of the temperatures in each region. At small scale sizes it depends on the E region recombination rate and the temperatures of the two regions but is only very weakly dependent on k. The background E region concentration determines the wave number beyond which the structure amplitude decay rate is almost independent of its scale size.

Heelis, R. A.↗
NASA NTRS1988

Pb-Zn liquid metal diffusion

The Lead-Zinc binary equilibrium system is currently being investigated. Ground based studies of this system were performed to examine the possibility of obtaining a couple which, after diffusion, could be examined continuously along the diffusion axis by quantitative metallography to determine the extent of diffusion. The specimens were analyzed by X-ray fluorescence in the scanning electron microscope to provide exact information on the chemical composition gradient. Two diffusion experiments were run simultaneously in the multipurpose furnace, each in its own isothermal cavity. Two flight samples, two flight backup samples, and two flight space samples were generated.

Pond, R. B., Sr.↗
NASA NTRS1987

The effects of diffusion on population gratings and the stability of ring lasers

The effects of diffusion on the coupling between counterpropagating modes in a two-level medium are studied in the rate equation limit. It is shown that diffusion can greatly decrease saturation gratings in low-pressure gases. Among many other effects which rely on spatial hole burning, this can alter the stability of bidirectional solutions of the third-order Lamb equation model of a ring laser.

Lawandy, N. M.↗
NASA NTRS1973

Theory of the phase anomaly in the thermosphere

Discussion of the temperature-density phase anomaly on the basis of a quasi-three-dimensional model in which the thermosphere dynamics associated with wind circulation is considered in a self-consistent form. Included in this analysis are the first three harmonics, which involve nonlinear coupling between diurnal and semidiurnal tides. It is shown that the phase anomaly with exospheric temperature peaks near 1600 LT and mass density peaks between 1400 and 1445 LT can be reproduced in a self-consistent theory without invoking ad hoc assumptions and boundary conditions that would mask the physical processes to be explored. A number of factors and processes are found to contribute to the phase anomaly, including the semidiurnal and particularly the terdiurnal components, heat advection, diffusion, and energy coupling with the lower atmosphere.

Mayr, H. G.↗
NASA NTRS1971

Ablation and radiation coupled viscous hypersonic shock layers, volume 1

The results for a stagnation-line analysis of the radiative heating of a phenolic-nylon ablator are presented. The analysis includes flow field coupling with the ablator surface, equilibrium chemistry, a step-function diffusion model and a coupled line and continuum radiation calculation. This report serves as the documentation, i e. users manual and operating instructions for the computer programs listed in the report.

Engel, C. D.↗
NASA NTRS1980

Thermal Pollution Mathematical Model: Verification of One-Dimensional Numerical Model at Lake Keowee - Volume 2

A one dimensional model for studying the thermal dynamics of cooling lakes was developed and verified. The model is essentially a set of partial differential equations which are solved by finite difference methods. The model includes the effects of variation of area with depth, surface heating due to solar radiation absorbed at the upper layer, and internal heating due to the transmission of solar radiation to the sub-surface layers. The exchange of mechanical energy between the lake and the atmosphere is included through the coupling of thermal diffusivity and wind speed. The effects of discharge and intake by power plants are also included. The numerical model was calibrated by applying it to Cayuga Lake. The model was then verified through a long term simulation using Lake Keowee data base. The comparison between measured and predicted vertical temperature profiles for the nine years is good. The physical limnology of Lake Keowee is presented through a set of graphical representations of the measured data base.

Lee, S. S.↗
NASA NTRS1989

Controlled-Turbulence Bioreactors

Two versions of bioreactor vessel provide steady supplies of oxygen and nutrients with little turbulence. Suspends cells in environment needed for sustenance and growth, while inflicting less damage from agitation and bubbling than do propeller-stirred reactors. Gentle environments in new reactors well suited to delicate mammalian cells. One reactor kept human kidney cells alive for as long as 11 days. Cells grow on carrier beads suspended in liquid culture medium that fills cylindrical housing. Rotating vanes - inside vessel but outside filter - gently circulates nutrient medium. Vessel stationary; magnetic clutch drives filter cylinder and vanes. Another reactor creates even less turbulence. Oxygen-permeable tubing wrapped around rod extending along central axis. Small external pump feeds oxygen to tubing through rotary coupling, and oxygen diffuses into liquid medium.

Wolf, David A.↗
NASA NTRS1985

Effects of preferential diffusion on the burning intensity of curved flames

Using the Bunsen flame as a model curved flame, the coupled influence of preferential diffusion and flame stretch on the burning intensity of lean and rich mixtures of methane, propane, butane, ethylene, and hydrogen with air has been experimentally studied. The results substantiate theoretical predictions and quantify previous experimental observations that, for mixtures whose effective Lewis numbers (Le) are less than unity, the flame temperature is less than the adiabatic flame temperature. This temperature also decreases towards the flame tip, which has the largest curvature and therefore may locally extinguish. The dominance of diffusional transport in influencing the intensity of curved flames is demonstrated by showing that the tip opening of the highly diffusive hydrogen/air flames occurs at constant hydrogen equivalence ratios of about 1.15 to 1.20, being almost independent of the flow intensity and uniformity.

Mizomoto, M.↗
NASA NTRS1978

Nonlinear Landau damping in the ionosphere

A model is presented to explain the non-resonant waves which give rise to the diffuse resonance observed near 3/2 f sub H by the Alouette and ISIS topside sounders, where f sub H is the ambient electron cyclotron frequency. In a strictly linear analysis, these instability driven waves will decay due to Landau damping on a time scale much shorter than the observed time duration of the diffuse resonance. Calculations of the nonlinear wave particle coupling coefficients, however, indicate that the diffuse resonance wave can be maintained by the nonlinear Landau damping of the sounder stimulated 2f sub H wave. The time duration of the diffuse resonance is determined by the transit time of the instability generated and nonlinearly maintained diffuse resonance wave from the remote short lived hot region back to the antenna. The model is consistent with the Alouette/ISIS observations, and clearly demonstrates the existence of nonlinear wave-particle interactions in the ionosphere.

Kiwamoto, Y.↗
NASA NTRS1985

Diffusion and localization of a particle in a periodic potential coupled to a dissipative environment

The phase diagram of a Hamiltonian which describes a particle moving in a periodic potential and coupled to an external heat bath has been analyzed in detail. By renormalization-group methods, it is proved that this system exhibits an unusual transition between diffusive behavior and a self-trapped phase. The dynamics along the transition line is shown to be integrable and the order parameter, the mobility, is computed exactly.

Guinea, F.↗