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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 127 records · Page 7
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Intricate structure of the plasma Rayleigh–Taylor instability in shock tubes

Spikes and bubbles grow on unstable interfaces that are accelerated in high-energy-density conditions. If a shock propagates ahead of the interface, the plasma can be heated to extreme conditions where conduction and radiation fluxes influence the hydrodynamics. For example, a National Ignition Facility experiment found reduced single-mode nonlinear mixed-width growth in conditions scaled from a supernova explosion. We present high-resolution two-dimensional radiation hydrodynamic simulations with the Flash code that quantitatively reproduce the experiment. Radiative fluxes are primarily responsible for ablating the spike and removing the mushroom caps. The ablated plasma increases the mixed mass and forms a low-density halo with spikes forming in both directions. This is considerably more complex than classical instability. The halo is sensitive to ablative physics, so radiographing it may aid in the verification of energy transport modeling. Although ablation changes the spike shape, it has little effect on the overall mixed width for these parameters. This is because ablation enhances the bubble velocity but it has the opposite effect on the spike. The radiation transport instead suppresses the growth via increasing the shocked foam density, thus decreasing the Atwood number. Furthermore, a terminal velocity model including the rarefaction expansion agrees with the experimental mixed-width growth.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2022

A phase-field model for void and gas bubble superlattice formation in irradiated solids

A phase-field model to simulate the formation of both void and gas bubble superlattices is derived from a grand potential functional, assuming 1D diffusion of self-interstitial atoms. The model is capable of accounting for superlattice formation by either a nucleation and growth or spinodal decomposition mechanism; in this work, we focus on the nucleation and growth mechanism, using a discrete nucleation approach in the phase-field model. In simulations of void formation, short aligned rows of voids were initially formed, followed by growth in the size of the aligned rows, and finally leading to superlattice formation, consistent with experimental observations. Void superlattice spacing as a function of model parameters was quantified. Increased nucleation rates led to smaller superlattice spacing, while increased vacancy diffusivity led to larger superlattice spacing. In simulations of gas bubble superlattice formation, superlattice spacing decreased with increasing gas atom flux, consistent with experimental observations. Here, simulations with increasing ratio of gas atom flux to vacancy-interstitial pair production led to increased superlattice spacing, which is inconsistent with experimental observations at high gas atom flux rates; this discrepancy is attributed to the fact that the model does not account for bound gas atom-vacancy pairs that may dominate at high gas flux rates.

36 MATERIALS SCIENCE↗
DOE OSTI2021

MHD simulations of cold bubble formation from 2/1 tearing mode during massive gas injection in a tokamak

Massive gas injection (MGI) experiments have been carried out in many tokamaks to study disruption dynamics and mitigation schemes. Two events often observed in those experiments are the excitation of the m = 2, n = 1 magnetohydrodynamic mode, and the formation of cold bubble structure in the temperature distribution before the thermal quench (TQ). Here m is the poloidal mode number, n the toroidal mode number. The physics mechanisms underlying those phenomena, however, have not been entirely clear. In this work, our recent NIMROD simulations of the MGI process in a tokamak have reproduced the main features of both events, which has allowed us to examine and establish the causal relation between them. In these simulations, the 3/1 and 2/1 islands are found to form successively after the arrival of impurity ion cold front at the corresponding q = 3 and q = 2 rational surfaces. At the interface between impurity and plasma, a local thin current sheet forms due to an enhanced local pressure gradient and moves inward following the gas cold front, this may contribute to the formation of a dominant 2/1 mode. Following the growth of the 2/1 tearing mode, the impurity penetration into the core region inside the q = 2 surface gives rise to the formation of the cold bubble temperature structure and initiates the final TQ. Here, a subdominant 1/1 mode developed earlier near the q = 1 surface alone does not cause such a cold bubble formation, however, the exact manner of the preceding impurity penetration depends on the nature of the 1/1 mode: kink-tearing or quasi-interchange.

2/1 tearing mode↗
DOE OSTI2020

Material mixing during fuzz formation in W and Mo

Helium-induced fuzz formation in tungsten (W) and molybdenum (Mo) is investigated for a range of sample exposure temperatures from 838 K–1075 K (He fluence = 3.4 × 10 25 m -2 and ion energy <39 eV). Thin films of Mo deposited on W substrates show mixing of the film and substrate materials in the fuzz after He plasma exposure, including at 838 K (i.e. below the typical temperature range at which fuzz forms in pure W). Finally, the amount of material mixing increases with exposure temperature due to the increase in bubble size, and leads to significant accumulation of the substrate material at the fuzz surface at the highest temperature investigated, further supporting fuzz growth from the fiber tip outwards by material transport up the fibers.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Stabilization of magnetic bubbles in [Ni/Co]n multilayers on an oxygen-reconstructed Nb(110) surface via an ultra-thin Cu interlayer

Magnetic thin films hosting topological spin textures, such as magnetic skyrmions, hold high potential for breakthroughs in the field of spintronics, due to good scalability and energy efficiency. Novel computational architectures such as memory-in-logic devices rely on material platforms able to host those topological spin textures. Furthermore, recently proposed designs of novel quantum information technologies are based on heterostructures where topological spin textures are in direct proximity to a superconducting layer. Here, we demonstrate the stabilization of out-of-plane magnetic bubbles in highly ordered [Ni/Co]n multilayers on a Nb(110) single crystal. This is achieved without the need for the removal of the well-known Nb(110)-oxide surface reconstruction, due to the introduction of an ultra-thin Cu interlayer in between the Nb substrate and the magnetic multilayer. The Cu interlayer generates a well-ordered hexagonal surface, which is key for the epitaxial growth of the [Ni/Co]n multilayers hosting the desired out-of-plane anisotropy. The magnetic ground state of the prepared material stacks is directly imaged via spin-polarized low-energy electron microscopy, revealing the presence of magnetic bubble domains with lateral sizes as small as 450 nm.

Dibajeh, Ahmad↗
DOE OSTI2022

Cavity evolution and void swelling in dual ion irradiated tempered martensitic steels

Microstructural evolutions in two variants of the F82H 8 wt%Cr tempered martensitic steel under dual (He + plus Fe 3+ ) ion irradiations at 500 °C have been characterized by transmission electron microscopy. Emphasis is on understanding the combined effects of displacements per atom (dpa) and the helium/dpa ratio (He/dpa) on cavity evolution and void swelling (f v ). The dual ion database includes 231 alloy-dpa-He/dpa conditions for irradiations up to ~ 82 dpa and 3700 appm helium. Here, we hypothesize that the large “scatter” observed in the f v data is primarily due to local microstructural variations, especially those that shield regions at shallower depths from the effects of injected interstitial atoms, which would otherwise reduce f v . More generally, our hypothesis is that the highest f v data, at a specified dpa and He/dpa, provides the most appropriate estimate of swelling for fusion neutron irradiation conditions. The dose dependence of f v can be described by an incubation dpa i , marking the onset of significant void growth, and a post-incubation swelling rate, f v ’ = Δf v /Δdpa. Both dpa i and f v ’ decrease with increasing He/dpa. The f v ’ data are quantitatively consistent with a simple model for defect partitioning between evolving bubble, void, and dislocation sinks strengths and biases. Most notably, the model correctly predicts both the incubation dpa i , and the subsequent f v ’, in spite of the fact that they reflect somewhat different physics. Our analysis also suggests that defect recombination is modest at 500 °C. Along with other considerations, this supports the hypothesis that, even at high dpa rates, dual ion irradiations can be used to reasonably emulate void nucleation and growth for a range of fusion-relevant neutron irradiation service conditions. A companion paper incorporates the results of this study in a reduced-order, data-driven void swelling model.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Coupled Microbial-Conversion and Computational-Fluid-Dynamics (CFD) Models for Butanediol Production in Micro-Aerated Reactors

Microbial conversion of substrates to macromolecules has been widely used in the synthesis of value-added products in pharmaceutical and biotechnology industries. These bioreactions are also being investigated in the production of low-value commodities such as biofuels [1]. Gas-liquid mass-transfer and transport-reaction coupling are important challenges when designing and scaling up these reactor systems. Experiments in wellmixed small-scale reactors have enabled characterization of microbial reactivity, while their coupling with macroscale transport remains relatively unexplored. In this work, we use a coupled metabolic-CFD model to study the action of a genetically engineered microbe Zymomonas mobilis [2] on sugars to produce 2,3-Butanediol (BDO). BDO is an important hydrocarbon intermediate that can be catalytically upgraded to several fuels and chemicals [3]. An important aspect to this particular microbial conversion is the need for micro-aerated environments as opposed to traditional aerobic fermentation. Slight variations in oxygen concentration can result in competing reaction pathways that disable BDO production. Hence, gas-liquid mass transfer and transport need to be optimized in large-scale reactors to maximize BDO production, for which CFD is a valuable tool. The aerobic-fermentation CFD model previously developed by the authors [5] for simulating bubble-column and airlift reactors at scale was used in this study. The Reynolds-averaged mass, momentum and energy transport equations for interpenetrating gas and liquid phase are solved in this model along with the transport and interphase mass transfer of oxygen. Our previous work used a phenomenological model for microbial oxygen uptake that neglected microbial growth and other reaction pathways. In this work, a detailed metabolic model enabled prediction of product formation and inhibition pathways. In order to manage computational cost, we used a subcycling technique [6] that takes advantage of the clear separation in transport (~ 200 sec) and reaction (~ 2-3 hours) timescales. The CFD model is first solved to steady state, after which the metabolic model is advanced at every cell in the computational domain using the local oxygen concentration. The CFD model is then run to achieve a new steady state that provides a new oxygen distribution for the metabolic model. This process, where reaction and fluid updates are interleaved together, is iterated until reactants are completely exhausted. This work will examine the performance of different reactor designs such as bubble column and airlift reactors at scale (250-500 m3). Oxygen mass-transfer coefficient and distribution are critically analyzed among reactors, and optimization studies pertaining to aeration is presented. Furthermore, it has been observed in experiments that high BDO production may be achieved by manipulating the aerobic environment over the course of reaction, such that oxygen concentration is high during the growth phase, and very low as sugar is depleted. This characteristic will be addressed by our simulations for which a timedependent scheduling strategy for aeration is presented that maximizes BDO production. [1] Humbird, D., Davis, R., and McMillan, J., Aeration costs in stirred-tank and bubble column bioreactors, Biochemical Engineering Journal, 127, 161—166, 2017 [2] Yang, S., Mohagheghi, A., Franden, M. A., Chou, Y.-C., Chen, X., Dowe, N., Himmel, M. E., and Zhang, M., Metabolic engineering of zymomonas mobilis for 2, 3-butanediol production from lignocellulosic biomass sugars. Biotechnology for biofuels, 9(1):189, 2016 [3] Kim, S. J., Sim, H. J., Kim, J. W., Lee, Y. G., Park, Y. C., and Seo, J. H., Enhanced production of 2,3-butanediol from xylose by combinatorial engineering of xylose metabolic pathway and cofactor regeneration in pyruvate decarboxylase-deficient Saccharomyces cerevisiae. Bioresource Technology, 245:1551–1557, 2017 [4] Weller, H., Tabor, G., Jasak, H. and Fureby, C., A tensorial approach to computational continuum mechanics using object-oriented techniques, Computers in physics, 12, 6, 620--631, 1998

29 ENERGY PLANNING, POLICY, AND ECONOMY↗
DOE OSTI2022

Dynamic, Adaptive, Systems and Materials: Complex, Simple and Emergent Behaviors

This program has been funded by DoE/BES for twenty years. It has moved into and out of various subjects as it has developed, but it has retained its focus on complexity and complex systems. The project has evolved in the following way: Self-Assembly and Biomimetic Self-Assembly: All self-assembling systems depend upon a minimum of two types of interaction: a repulsion and an attraction. For the familiar molecular systems, attractive interactions are typically hydrogen bonds and electrostatic interactions. Repulsive interactions include steric effects, hydrophobic effects (in biological systems), and charge-charge repulsion. We have expanded this repertoire to include surface interactions, magnetic interactions, and others. I list these systems in the order in which we have explored them: i) A key emphasis in current work is in understanding how the movement of ions in a magnetic field (the Lorentz effect) interacts with catalytic systems. We have demonstrated that an acceleration in rate of reduction of CO 2 to CO can be accomplished by applying an external magnetic field. This acceleration is largely due to the application of the Lorentz effect on mass transport at the catalyst’s surface. ii) We have also extensively explored the influence of electrostatics, as exhibited in self-assembling systems, by tribocharging. iii) Another key system involves surface tension effects; examples include interactions between heavy particles floating at a liquid-air interface, and interacting by changes in surface area; interactions of bubbles and bubble rafts, behaviors of bubble trains in microfluidic networks, and behaviors of microorganisms in constraining environments. iv) This work has intentionally de-emphasized biological systems; but it does include some work on protein-ligand interactions and interactions among microorganisms. v) We have also explored applications of some of these effects, these explorations include bubble rafts as diffraction gratings, exploration of the structures that can be obtained by tribocharging and uses of these structures in exploring nucleation and melting of crystals. vi) Although not a major focus of this work, several other topics have emerged and offer opportunities for future work. These include the behavior of bubble trains and bubble rafts in microfluidic systems. A particularly interesting example is the formation of bubble trains that repeat in the alteration of large and small bubbles according to rules we do not presently understand, but are uniquely large-period oscillating systems. These systems offer a new route into understanding the instabilities of the type represented by oscillations. vii) We have also begun exploratory projects on magnetic levitation (especially to determine molecular density), and information storage (in molecules). Magnetic Levitation: Self-assembling and biomimetic systems require both attraction and repulsion. We have used electrostatics (tribocharging), interfacial free-energies (surface tension and related forces) and others. Potential uses include reconfigurable diffraction gratings and liquid lenses; exploration of mechanisms in tribocharging; tunneling in EGaIn junctions; and bubble trains (especially in micro-fluidic systems). Examples of systems representing these topics is included in the following papers: Complexity: Disks rotating at a water-air interface; Benard-Marangoni effects; Vortex-Crystals from spinning magnetic disks (Marangoni effects); EGaIn Electrode to study quantum tunneling; Self-Assembly of electrostatically-charged metallic spheres (electrets); Dynamically reconfigurable lens; Using computational designs of ligands for enzymes; Electrostatic self-assembly by tribocharging; Monodisperse bubble trains in microchannel systems; Inverted dripping faucet; Flames; Printing of micro-organisms to regenerate the “ink” of printing device; Using micro-organisms to move loads (“microoxen”); Motion of bacterial swarms near surfaces; Making monodisperse particles in microfluidic systems; Coding/decoding of information stored in droplet trains in microfluidic networks; Magnetic levitation; and Information storage. i) Tribocharging. The change in focus of this work on electrets from the fundamentals of charging to applications of these materials in studying self-assembly using electrostatic interactions. ii) Bubbles in Microchannels. The realization that systems of bubbles in microchannels represented a major opportunity to study complexity in a very tractable system, and the development of a semi-quantitative theory of this subject. iii) Flames. The growth of “flames” remains an exploratory subject for the research, although their currently relatively little active work involving it ongoing. iv) Systems with Microorganisms. The removal of work in biological systems from this project. Based on work supported in this program, we now have a significant project on the development of microfluidic tools for studying C. elegans (a nematode), but this work was not appropriate for a program focused on complexity, and we developed separate support for it. (It is, however, an example of successful seeding of a new area by BES.) The work on electrets has gone through a period in which a part of the program was the subject of a MURI; the focus of this work was to develop materials that did not charge electrostatically on friction or contact. The MURI is now over, and the work on dynamic self-assembly (supported by BES) is the major focus. “Flames” has also enjoyed synergistic support, in terms of a project supported by DARPA on flame suppression (in the absence of extinguishing agents, using acoustic and electrostatic interactions). This work was helpful in understanding some of the basics of flames, but is entirely distinct from the BES focus in complexity. A growing interest is in the Lorentz effect. The Lorentz effect is the force exerted on charged particles (electrons, ions, charged molecules) when they move through a perpendicular magnetic field. The Lorentz effect is almost ubiquitous in modern technology: examples of applications include electric motors, dynamos, cathode ray tubes, many batteries, and most systems that control electrical currents with magnetic forces. We have begun to explore the Lorentz effect in electrochemical systems and heterogeneous catalytic systems involving charged organic species and inorganic ions. This work is still at an early stage, but initial studies that Lorentz effects can be large when ions move through magnetic fields, or magnetic fields move in the presence of ions.

36 MATERIALS SCIENCE↗
DOE OSTI2025

In-situ ion irradiation induced nanograin growth in a spent UO 2 fuel

This study investigates the irradiation-driven evolution of nanograins in the early-stage restructured rim region of medium burnup spent uranium dioxide (UO 2 ) fuel. Transmission electron microscopy (TEM) lamellas prepared from Belgium Reactor 3 (BR-3) fuel were subjected to in-situ 300 keV Xe ion irradiations under varying doses, fluxes, and temperatures to evaluate their effect on the evolution of the nanograins. Our results reveal that the nanograins grow during ion irradiation. Additionally, the growth is most pronounced at elevated temperatures (300 °C), moderate at room temperature, and negligible at cryogenic temperature (−223 °C). This behavior indicates that thermal activation, alongside irradiation effects, is essential to overcome grain boundary pinning by fission gas bubbles, metallic precipitates, and porosity. Furthermore, while nanograins (<200 nm) consistently coarsened under irradiation, larger grains did not undergo further restructuring, which can be attributed to the strong defect annihilation at TEM lamella surfaces combined with the limited electronic stopping power of low energy Xe ions used in this work. These findings highlight the roles of thermal spike effects, defect mobility, and impurity pinning in governing grain evolution in the rim region of spent UO 2 fuel during ion irradiation, providing key insights for predictive models of restructuring and performance of the high burnup nuclear fuel.

11 - NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2022

Magnetized ablative Rayleigh-Taylor instability in three dimensions

Three-dimensional extended-magnetohydrodynamics simulations of the magnetized ablative Rayleigh-Taylor instability are presented. Previous two-dimensional (2D) simulations claiming perturbation suppression by magnetic tension are shown to be misleading, as they do not include the most unstable dimension. For perturbation modes along the applied field direction, the magnetic field simultaneously reduces ablative stabilization and adds magnetic tension stabilization; the stabilizing term is found to dominate for applied fields > 5 T, with both effects increasing in importance at short wavelengths. Additionally, for modes perpendicular to the applied field, magnetic tension does not directly stabilize the perturbation but can result in moderately slower growth due to the perturbation appearing to be 2D (albeit in a different orientation to 2D inertial confinement fusion simulations). In cases where thermal ablative stabilization is dominant the applied field increases the peak bubble-spike height. Resistive diffusion is shown to be important for short wavelengths and long timescales, reducing the effectiveness of tension stabilization.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2023

Molecular-Dynamics Analysis of the Mechanical Behavior of Plasma-Facing Tungsten

We report a systematic computational analysis of the mechanical behavior of plasma-facing component (PFC) tungsten focusing on the impact of void and helium (He) bubble defects on the mechanical response beyond the elastic regime. Specifically, we explore the effects of porosity and He atomic fraction on the mechanical properties and structural response of PFC tungsten, at varying temperature and bubble size. We find that the Young modulus of defective tungsten undergoes substantial softening that follows an exponential scaling relation as a function of matrix porosity and He atomic content. Beyond the elastic regime, our high strain rate simulations reveal that the presence of nanoscale spherical defects (empty voids and He bubbles) reduces the yield strength of tungsten in a monotonically decreasing fashion, obeying an exponential scaling relation as a function of tungsten matrix porosity and He concentration. Our detailed analysis of the structural response of PFC tungsten near the yield point reveals that yielding is initiated by emission of dislocation loops from bubble/matrix interfaces, mainly 1/2<111> shear loops, followed by gliding and growth of these loops and reactions to form <100> dislocations. Furthermore, dislocation gliding on the <111>{211} twin systems nucleates 1/6<111> twin regions in the tungsten matrix. These dynamical processes reduce the stress in the matrix substantially. Subsequent dislocation interactions and depletion of the twin phases via nucleation and propagation of detwinning partials lead the tungsten matrix to a next deformation stage characterized by stress increase during applied straining. Furthermore, our structural analysis reveals that the depletion of twin boundaries (areal defects) is strongly impacted by the density of He bubbles at higher porosities. After the initial stress relief upon yielding, increase in the dislocation density in conjunction with decrease in the areal defect density facilitates the initiation of dislocation-driven deformation mechanisms in the PFC crystal.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Simulations and models for the Richtmyer– Meshkov instability with broadband perturbations

The Richtmyer–Meshkov instability (RMI) is shock driven and affects many phenomena from inertial fusion to supernova explosions. The behavior of single-modes in the RMI has been studied extensively but less is known with the broadband perturbations that occur in applications. Here, we describe extensive numerical simulations and modeling of the RMI with broadband perturbations with an initial power spectrum of the form P∝ k m , where k is the wavenumber. The hydrodynamic condition is the same as in the $\theta$-Group Collaboration [Thornber et al., “Late-time growth rate, mixing, and anisotropy in the multimode narrowband Richtmyer–Meshkov instability: The $\theta$-group collaboration,” Phys. Fluids 29, 105107 (2017)] with a Mach ~1.86 shock and gamma-law = 5/3 fluids with Atwood number A = 0.5. The bubble amplitude h B is found to grow in two stages. Initially, h B undergoes a phase-inversion and grows linearly in time (t) at a rate consistent with a linear theory. Asymptotically, h B grows as a power law $~t^{\theta}$ when $\langle{k}\rangle{|h_B|}$ > O(1), where $\langle{k}\rangle$ is the average wavenumber for the initial spectrum. The RMI behavior in simulations and modeling agree over a wide range of exponent m, spectral width, initial amplitude, and time. The agreement is quantified objectively using statistical analysis.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2024

Simulations and models for the Richtmyer–Meshkov instability with broadband perturbations

The Richtmyer–Meshkov instability (RMI) is shock driven and affects many phenomena from inertial fusion to supernova explosions. The behavior of single-modes in the RMI has been studied extensively but less is known with the broadband perturbations that occur in applications. Here, we describe extensive numerical simulations and modeling of the RMI with broadband perturbations with an initial power spectrum of the form P ∝ km, where k is the wavenumber. The hydrodynamic condition is the same as in the θ-Group Collaboration [Thornber et al., “Late-time growth rate, mixing, and anisotropy in the multimode narrowband Richtmyer–Meshkov instability: The θ-group collaboration,” Phys. Fluids 29, 105107 (2017)] with a Mach ∼1.86 shock and gamma-law = 5/3 fluids with Atwood number A = −0.5. The bubble amplitude hB is found to grow in two stages. Initially, hB undergoes a phase-inversion and grows linearly in time (t) at a rate consistent with a linear theory. Asymptotically, hB grows as a power law ∼tθ when k|hB| > O(1), where k is the average wavenumber for the initial spectrum. The RMI behavior in simulations and modeling agree over a wide range of exponent m, spectral width, initial amplitude, and time. The agreement is quantified objectively using statistical analysis.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2026

A buoyancy–shear–drag–scalar-based turbulence model for power-law acceleration-driven Rayleigh–Taylor, reshocked Richtmyer–Meshkov, and Kelvin–Helmholtz mixing

A previously developed phenomenological turbulence model for Rayleigh–Taylor, reshocked Richtmyer–Meshkov, and Kelvin–Helmholtz instability-induced mixing based on a general buoyancy–shear–drag model [O. Schilling, “A buoyancy–shear–drag-based turbulence model for Rayleigh–Taylor, reshocked Richtmyer–Meshkov, and Kelvin–Helmholtz mixing,” Physica D 402, 132238 (2020)] is extended to include active or passive scalar mixing and power-law acceleration-driven Rayleigh–Taylor mixing. The buoyancy–shear–drag equations are coupled to a scalar variance equation that is used to define the molecular mixing parameter θ m , and when the scalar is active, modifies the Rayleigh–Taylor and Kelvin–Helmholtz mixing layer growth parameters to depend on the asymptotic value of this parameter, θ mol . Here, the scalar variance equation is closed by algebraically or differentially modeling the scalar variance dissipation rate. Nonlinear analytical solutions of the model are obtained in the total and separate bubble and spike mixing layer width formulations with the algebraic scalar variance dissipation rate for each instability, which are then used to calibrate the mechanical and scalar equation coefficients to predict specific values of physical observables and molecular mixing parameters. Surrogate mechanical and scalar turbulent fields can be constructed by multiplying a presumed self-similar spatial profile by appropriate functions of the width and its time derivative, and of the scalar obtained by solving the ordinary differential model equations. The explicit modeling and solution of turbulent transport equations are not required. The bubble and spike mixing layer width and scalar variance equations are then solved numerically for constant-acceleration Rayleigh–Taylor, impulsively reshocked Richtmyer–Meshkov, and Kelvin–Helmholtz mixing, confirming that the prescribed level of molecular mixing is correctly predicted and illustrating the spatiotemporal evolution of the scalar fields.

Buoyancy–drag↗
DOE OSTI2023

Grain boundary softening from stress assisted helium cavity coalescence in ultrafine-grained tungsten

The formation of helium cavities in coarse-grained materials produces hardening proportional to the number density and size of the cavities and due to the interaction of dislocations with intragranular helium defects. In nanostructured metals containing a high density of interfacial sinks, preferential cavity formation in the grain boundaries instead produces softening that is often attributed to enhanced interfacial plasticity. Here, employing two grades of ultrafine-grained tungsten, we explore this effect using targeted implantation studies to map cavity evolution as a function of the irradiation conditions and quantify its impact on the mechanical response through nanoindentation. Softening is reported at implantation temperatures above the threshold for preferential grain boundary cavity formation but at a sufficiently low fluence prior to the growth of intragranular cavities. Collective changes in the mean cavity size, density, and morphology beneath a residual impression on an implanted surface indicate that cavity coalescence accompanied the reduction in hardness. Complementary atomistic simulations demonstrate that, in tungsten grain structures exhibiting softening, grain boundary bubble coalescence is driven by stress concentrations that further act to localize strain in the grain boundaries through cooperative deformation processes involving local atomic shuffling and sliding, dislocation emission, and even the nucleation of unstable twinning events.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Dynamics of Downdrafts Around a Growing Convective Cloud: A Numerical Study

We examine the dynamics of cloud-edge downdrafts over the growth phase of isolated cumuli, combining Eulerian and Lagrangian analyses. As in previous studies, our results show that growing cumuli are surrounded by downdrafts linked to cloud-scale quasi-toroidal circulations at all times at middle and upper cloud levels consistent with the thermal chain description of convective clouds. These toroidal circulations are responsible for the most intense cloud-edge downdrafts in our simulations. In the upper cloud half, roughly 30%–50% of the upward mass flux is typically compensated within a radius of about twice the updraft radius in quasi-laminar simulations forced by a warm bubble in an initially quiescent flow. In a turbulent cloud forced by surface fluxes, this compensation fraction is around 10%–30% over the same region. In contrast to the buoyancy-centered view of subsiding shells, Eulerian and Lagrangian vertical momentum budget analyses show that the most intense cloud-edge downdrafts in the turbulent setup, and after spin-up of the toroidal circulation in the quasi-laminar experiments, are predominantly mechanically forced (i.e., driven by dynamic pressure accelerations). This is consistent throughout the entire growth phase of the cumulus clouds and across tests with varying assumptions, including drier and moister environments. Despite dynamic pressure perturbations being the main driver of toroidal downdrafts, the downdraft speed (relative to the corresponding updraft velocity) exceeds the prediction of the non-buoyant Hill's spherical vortex—a simple model frequently used for cloud-scale circulations—by more than 30%.

Pardo, Lianet Hernández [Goethe Univ., Frankfurt (↗