Search NASA⌕ Search

SEARCH · Search NASA

Results for “coarse-grained”

Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

At least 271 records · Page 15
All sourcesNASA NTRSDOE OSTI
NASA NTRS1993

The granulite suite: Impact melts and metamorphic breccias of the early lunar crust

The granulite suite consists of two major types of rocks. One is coarse-grained and poikilitic with many euhedral crystals of olivine and plagioclase. These characteristics indicate crystallization from a melt; the poikilitic granulites are impact melt breccias. The other group is finer-grained and granoblastic, with numerous triple junctions; the granoblastic granulites are metamorphic rocks. Compositional groups identified by Lindstrom and Lindstrom contain both textural types. Two pyroxene thermometry indicates that both groups equilibrated at 1000 to 1150 C. Calculations suggest that the granoblastic group, which has an average grain size of about 80 microns, was annealed for less than 6 x 10 exp 4 y at 1000 C, and for less than 2500 y at 1150 C. Similar equilibration temperatures suggest that both groups were physically associated after impact events produced the poikilitic melts. Granulitic impactites hold important information about the pre-Nectarian bombardment history of the Moon, and the composition and thermal evolution of the early lunar crust. Granulitic impactites are widely considered to be an important rock type in the lunar crust, but how they formed is poorly understood. Metal compositions and elevated concentrations of meteoritic siderophile elements suggest that most lunar granulites are impact breccias. Their occurrence as clasts in approximately 3.9 Ga breccias, and Ar-(40-39) ages greater than or = 4.2 Ga for some granulites show that they represent a component of the lunar crust which formed prior to the Nectarian cataclysm. Petrographic characteristics of lunar granulites indicate at least two endmember textural variants which apparently formed in fundamentally different ways. One type has granoblastic textures consisting of equant, polygonal to rounded grains, and abundant triple junctions with small dispersions around 120 degrees indicating a close approach to textural equilibrium. As suggested by many authors, granoblastic granulites probably formed by subsolidus annealing and recrystallization of fragmental or glassy protoliths. Examples of this type include 15418, 78155, and 79215. The other textural type consists of poikilitic to poikiloblastic rocks with euhedral to subhedral plagioclase and olivine enclosed by interstitial pyroxene. In some cases, the texture resembles that of an orthocumulate. Examples of this type include 60035, 67955, and 77017. Rounding of grain edges is common in poikilitic granulites, but the regular crystal shapes and widely dispersed dihedral angles show they are far from textural equilibrium. The textures of poikilitic granulites are more consistent with the formation of these rocks by crystallization from a melt than by subsolidus metamorphism. A few samples have been recognized with textural characteristics transitional between those of the granoblastic and poikiloblastic endmembers (e.g., 72559, 78527). Pyroxene compositions taken from the literature and determined for this study by electron microprobe were used to calculate equilibration temperatures. The Kretz Ca transfer (solvus) thermometer and the Lindsley and Anderson graphical method both give similar temperatures, which range from approximately 1000 to 1150 C. There is no apparent temperature difference between granoblastic and poikilitic varieties, but there is a hint in these data that the more ferroan varieties equilibrated to lower temperatures. Additional studies are in progress to test this possibility.

Cushing, J. A.↗
NASA NTRS1993

The unusual metallic particles in Krymka LL3.0 chondrite

The composition, structure peculiarities, and possible scenario of formation of unusual metallic particles in Krymka LL3.0 are shown. In metal released from gentle crushed after removal of chondrules of Krymka LL3.0 chondrite matter, two types of unusual metallic particles were detected. The first type of particle mainly consists of coarse-grained (greater than or equal to 50 microns) kamacite and fine-grained (less than or equal to 10 microns) Ni-high (approximately 53 wt. percent) taenite. These particles have well-defined zonal structure: kamacite is in central part of particles whereas taenite is in outside and the grains of taenite form the mantle around kamacite. In the second type of particle Fe,Ni-phase contains only fine-grained Ni-rich taenite. In both particle types there are also fine-grained phosphate, troilite, and silicate. Both particle types have mostly rounded to subrounded form.

Fisenko, A. V.↗
NASA NTRS1993

Composition and maturity of the 60013/14 core

The 60013/14 double drive tube (62 cm deep) is one of three regolith cores taken 35-40 m apart in a triangular array on the Cayley plains at station 10' (LM/ALSEP), Apollo 16. This trio, which includes double drive tube 60009/10 (59 cm deep) and deep drill core 60001-7 (220 cm), is the only such array of cores returned from the Moon. The top 45 cm of 60013/14 is mature, as is surface reference soil 60601 taken nearby. Maturity generally decreases with depth, with soil below 45 cm being submature. The zone of lowest maturity (34 is less than or equal to I(sub s)/FeO is less than 50) extends from 46 to 58 cm depth, and corresponds to the distinct region of light-colored soil observed during core processing. In the other two cores, most of the compositional variation results from mixing between fine-grained, mature soil with 10-11 micro-g/g Sc and coarse-grained ferroan anorthosite consisting of greater than 99% plagioclase with less than 0.5 micro-g/g Sc. This is most evident in 60009/10 which contains a high abundance of plagioclase at about 54 cm depth (minimum Sc: 3-4 micro-g/g); a similar zone occurs in 60001-7 at 17-22 cm (MPU-C), although it is not as rich in plagioclase (minimum Sc: 6-7 micro-g/g). Compositional variations are less in 60013/14 than in the other two cores (range: 7.9-10.0 micro-g/g Sc), but are generally consistent with the 'plagioclase dilution' effect seen in 60009/10, i.e., most 60013/14 samples plot along the mixing line of 60009/10. However, a plagioclase component is not the cause of the lower maturity and lighter color of the unit at 46-58 cm depth in 60013/14. Many of the samples in this zone have distinctly lower Sm/Sc ratios than typical LM-area soils and plot off the mixing trend defined by 60009/10. This requires a component with moderately high Sc, but low-Sm/Sc, such as feldspathic fragmental breccia (FFB) or granulitic breccia. A component of Descartes regolith, such as occurs at North Ray Crater (NRC) and which is rich in FFB, could account for the composition of these soils (i.e., a 3:1 mixture of 60601 and NRC soil). It seems unlikely that NRC ejecta would occur half a meter deep at the LM station, thus this low-Sm/Sc component may result from an older, local crater that penetrated the Cayley surface layer and excavated underlying Descartes material, as did North Ray Crater. There is no evidence for such a unit or component in the other two cores. Soil below the light-colored unit (58-62) cm has 'typical' Sm/Sc ratios, but the lowest absolute Sc concentrations, i.e., it is compositionally equivalent to a mixture of surface soil and plagioclase such as that in ferroan anorthosite. This is the only soil that might be related to the plagioclase-rich units in the other two cores. Except for the mature soil at the top of each core and, perhaps, the plagioclase-rich layers, there is little compositional evidence for any common unit among the three cores. Soil corresponding to the mare-glass-bearing unit (MPU-B) and regolith-breccia-bearing unit (MPU-A) of 60001-7 do not occur in 60013/14 or 60009/10.

Korotev, Randy L.↗
NASA NTRS1993

Refractory precursor components in an Allende ferromagnesian chondrule

Chemical and petrological studies of chondrules revealed that they were formed through melting of pre-existing solid precursor materials, and that one of the refractory lithophile precursors was a high temperature condensate from the nebular gas and related to Ca, Al-rich inclusions (CAIs). Sheng et al. found relict spinel grains with isotopically fractionated Mg in plagioclase-olivine inclusions from CV chondrites and suggested that the major fractionation processes were common to CAIs and chondrules. We have determined the Mg isotopic compositon of five barred olivine chondrules and one coarse-grained rim from the Allende (CV3) meteorite. A reproducibility of instrumental isotope fractionation is plus or minus 2 per thousand per amu. The precision of the Mg-26/Mg-24 data after normalization for mass fractionation can be as good as 0.5 per thousand (2 sigma(mean)). The Mg analytical results are given and indicate that delta Mg-25/Mg-24 and sigma Mg-26 of the chondrules are normal within errors.

Misawa, Keiji↗
NASA NTRS1993

Petrogenesis of Apollo 12 mare basalts. Part 2: An open system model to explain the pigeonite basalt compositions

Original petrogenetic models suggested that the pigeonite basalts were the evolved equivalents of the olivine basalts. Rhodes et al. concluded that the olivine and pigeonite basalts were co-magmatic, but Neal et al. have demonstrated that these two basaltic groups are distinct and unrelated. The pigeonite suite is comprised of porphyritic basalts with a fine-grained ground mass and range continuously to coarse-grained microgabbros with ophitic to graphic textures. Although it was generally recognized that the pigeonite basalts were derived from the olivine basalts by olivine + minor Cr-spinel fractionation, the compositional gap between these groups is difficult to reconcile with such a model. Indeed, Baldridge et al. concluded that these two basaltic groups could not have been co-magmatic. In this paper, we suggest an open system AFC model for pigeonite basalt petrogenesis. The assimilant is lunar anorthositic crust and the r value used is 0.6. While the choice of assimilant composition is difficult to constrain, the modeling demonstrates the feasibility of this model.

Neal, Clive R.↗
NASA NTRS1993

The Sm-Nd systematics of silicate inclusions in iron meteorites: Results from Caddo (IAB)

The timing of events leading to the formation of silicate-rich and metal-rich regions in planetesimals remains an important problem in the study of planetary formation and differentiation in the early solar system. The IAB irons are especially important as they are considered to represent a magmatic differentiation series. Iron meteorites present a particular challenge for chronological studies, due to the relative paucity of phases serving as hosts for radioactive parent-daughter nuclides. Recent work using the Re-Os system, following on the pioneering work by Herr et al. and Luck and Allegre, appears promising, but investigators up to now have concentrated on whole rock isochrons. Silicate clasts enclosed within iron meteorites can provide information about the chronology and thermal history of irons. Extensive work on Rb-Sr, K-Ar, and I-Xe has been reported on silicate inclusions in iron meteorites. We report the initial results from our Sm-Nd study of an inclusion with the Caddo IAB iron, the first Sm-Nd isotopic study of a silicate clast embedded within an iron meteorite. Our results include measurements of the standard long-lived Sm-147/Nd-143 (tau = 152 AE) system, as well as the shorter-lived SM-146/Nd-142 (tau = 0.149 AE) system, which has been shown to be very useful in deciphering the history of the early solar system. The Caddo silicate clast was described by Palme et al., who kindly provided us with a major part of the inclusion. The inclusion is coarse-grained consisting predominantly of olivine, clinopyroxene, and plagioclase, with lesser amounts of orthopyroxene, Fe-Ni metal, sulfide, and phosphate. The relatively large grain size (up to 3 mm) and 120 degree grain boundaries suggest extensive metamorphism at high temperatures. Based on study of a thin section, there is evidence for metal invading along grain boundaries in some regions of the inclusion, suggesting that the Fe-Ni metal was molten when the silicate clast was incorporated. Metamorphic recrystallization may have occurred during this event.

Stewart, Brian W.↗
NASA NTRS1993

Heterogeneity in small aliquots of Apolllo 15 olivine-normative basalt: Implications for breccia clast studies

Most of the recent advances in lunar petrology are the direct result of breccia pull-apart studies, which have identified a wide array of new highland and mare basalt rock types that occur only as clasts within the breccias. These rocks show that the lunar crust is far more complex than suspected previously, and that processes such as magma mixing and wall-rock assimilation were important in its petrogenesis. These studies are based on the implicit assumption that the breccia clasts, which range in size from a few mm to several cm across, are representative of the parent rock from which they were derived. In many cases, the aliquot allocated for analysis may be only a few grain diameters across. While this problem is most acute for coarse-grained highland rocks, it can also cause considerable uncertainty in the analysis of mare basalt clasts. Similar problems arise with small aliquots of individual hand samples. Our study of sample heterogeneity in 9 samples of Apollo 15 olivine normative basalt (ONB) which exhibit a range in average grain size from coarse to fine are reported. Seven of these samples have not been analyzed previously, one has been analyzed by INAA only, and one has been analyzed by XRF+INAA. Our goal is to assess the effects of small aliquot size on the bulk chemistry of large mare basalt samples, and to extend this assessment to analyses of small breccia clasts.

Lindstrom, Marilyn M.↗
NASA NTRS1993

Parallel processing for nonlinear dynamics simulations of structures including rotating bladed-disk assemblies

The principal objective of this research is to develop, test, and implement coarse-grained, parallel-processing strategies for nonlinear dynamic simulations of practical structural problems. There are contributions to four main areas: finite element modeling and analysis of rotational dynamics, numerical algorithms for parallel nonlinear solutions, automatic partitioning techniques to effect load-balancing among processors, and an integrated parallel analysis system.

Hsieh, Shang-Hsien↗
NASA NTRS1993

Erosion of ejecta at Meteor Crater, Arizona

New methods for estimating erosion at Meteor Crater, Arizona, indicate that continuous ejecta deposits beyond 1/4-1/2 crater radii from the rim have been lowered less than 1 m on the average. This conclusion is based on the results of two approaches: coarsening of unweathered ejecta into surface lag deposits and calculation of the sediment budget within a drainage basin on the ejecta. Preserved ejecta morphologies beneath thin alluvium revealed by ground-penetrating radar provide qualitative support for the derived estimates. Although slightly greater erosion of less resistant ejecta locally has occurred, such deposits were limited in extent, particularly beyond 0.25R-0.5R from the present rim. Subtle but preserved primary ejecta features further support our estimate of minimal erosion of ejecta since the crater formed about 50,000 years ago. Unconsolidated deposits formed during other sudden extreme events exhibit similarly low erosion over the same time frame; the common factor is the presence of large fragments or large fragments in a matrix of finer debris. At Meteor Crater, fluvial and eolian processes remove surrounding fines leaving behind a surface lag of coarse-grained ejecta fragments that armor surfaces and slow vertical lowering.

Grant, John A.↗
NASA NTRSDate not supplied

High-Order Methods in NASA’s Next Generation of Computational Fluid Dynamics Tools

The missions of the National Aeronautics and Space Administration (NASA) routinely produce unique requirements and challenges for development and application of Computational Fluid Dynamics (CFD) methods. NASA presently embodies four distinct Mission Directorates: Aeronautics Research, Exploration Systems, Science, and Space Operations. These missions generate requirements for systems that operate in a wide variety of environments. They range from the high-speed flight of aerodynamically optimized vehicles operating in the earth’s atmosphere to spacecraft designed for missions that don’t favor aerodynamic optimization, some operating in the atmosphere of planets and planetary moons such as Mars and Venus or Saturn’s moon Titan. Systems supporting these vehicles, such as rocket and jet propulsion, reaction control systems, fluid and thermal transfer systems, etc. can also generate their own unique set of flow phenomena that challenge today’s CFD methodology. Through the NASA Engineering and Safety Center (NESC), NASA annually conducts state-of-the-discipline assessments in fifteen distinct engineering disciplines. These assessments are performed by the NASA Technical Fellows that lead Technical Discipline Teams (TDT) of recognized experts in these fifteen areas. In the Aerosciences discipline, three topics have been identified as the top challenges for the discipline: aero-plume interaction prediction, unsteady separated flows, and aerothermodynamic prediction. These challenge areas are defined by the Agency’s high-risk projects and problems on which the NESC is requested to perform independent testing, analysis, and assessments. When viewed as a whole, these tests, analyses, and assessments provide a clear view of the recurring technical challenges facing Agency engineers and researchers and can be used to guide future research and technology development. The present state-of-the-art in the application of CFD at NASA is the use of Reynolds-Averaged Navier- Stokes (RANS) solvers, primarily executed in a steady-state mode of operation. In isolated cases, Unsteady RANS (URANS) solvers have been employed when steady RANS solutions produce poorly converging or oscillating results or in cases, such as aeroelastic analysis, which require unsteady aerodynamic simulation. For most traditional external and internal aerodynamic flows, structured overset grids or unstructured grids are employed to minimize geometric modeling and grid generation times. Grid adaptation, primarily as a series of coarse-grain intermediate processing steps is also seeing use on particularly complex flow problems and configurations. In the case of aerothermodynamic flows, engineers have been forced to continue to employ structured grid techniques as the present unstructured grid methodology has proven inadequate in the prediction of surface heating. In the area of aero-plume interaction modeling, two-gas, frozen chemistry simulation is generally the state-of-the- art, with some production solvers capable of predicting flows with only a single gas component. Prediction of flows falling into the afore-mentioned top Aerosciences technical challenges have severely stressed the present state-of-the-art in CFD prediction and for some problems, such as unsteady separated flows and aero-plume interaction cases, engineers have begun employing Large Eddy Simulation (LES) and Hybrid RANS/LES techniques. In some isolated aero-propulsion interaction cases, chemically reacting flow simulations have been applied. These methods are highly evolutionary and engineers have little experience in their application, so they cannot be heavily relied upon in today’s application environment. Therefore, this leads one to muse over which numerical technologies will be included in the CFD tools that will be employed 30 years in the future. This presentation will describe specific technical problems that have stressed NASA’s traditional CFD methods to their breaking point and will link these issues to the Agency’s top Aerosciences technical challenges. The discussion will then shift to the characteristics of future CFD solvers that will be required to attack these challenges and how these characteristics differ from the present state-of-the- art. High-order methods certainly appear to have a place in the development of future CFD tools and some of the physical characteristics of our most challenging problems suggest that high-order methods are the only way to effectively solve them. But there are some relatively severe implementation issues that face these methods, particularly in the area of general applicability and robust operation as an engineering tool. Desired characteristics of next-generation CFD solvers will be discussed and the author’s view of which emerging numerical technologies might be employed to address these attributes will also be presented

David M Schuster↗
NASA NTRSDate not supplied

Thermomechanical Modeling of Woven Materials With Particle-Based, Explicit-Fiber Simulations

Fiber-based materials are extensively used to protect spacecraft during entry. Insulative fibers, often in a fiber network or woven, provide rigidity, strength, and control of material anisotropy and density. Woven thermal protection materials, such as ADEPT (Adaptable, Deployable Entry and Placement Technology), 3D-MAT (3-Dimensional Multifunctional Ablative Thermal Protection), and 3MDCP (3D Woven Mid-Density Carbon Phenolic), enable missions with stronger and denser materials for entry profiles with high shear and heat flux. Vulnerabilities to woven thermal protection materials include manufacturing-induced material property variation, and impact from micrometeoroids. Simulating woven materials under these conditions require models that can resolve hierarchal structures, thermomechanical behavior, and failure. To address this, we simulate weave thermal conduction and mechanical deformation. We simulate the full weave with a coarse-grained yarn model is presented. The model combines a validated, high-resolution single 3MDCP yarn model and phenolic resin model. Instead of modeling every fiber, each yarn ply with order 10, instead of order 1000, fibers. The discrete element bonded particle model (DEM-BPM) of fibers captures the thermal and mechanical behavior within and between fibers. We study the proportion of heat transfer and stress via the contact network, fiber bonds, and overall weave geometry.

bonded particle↗
DOE OSTI2026

Operationally induced preferred basis in unitary quantum mechanics

The preferred-basis problem and the definite-outcome aspect of the measurement problem persist even if the detector is modeled unitarily, because experimental data are necessarily represented in a Boolean event algebra of mutually exclusive records whereas the theoretical description is naturally formulated in a noncommutative operator algebra with continuous unitary symmetry. This change of mathematical type constitutes the core of the 'cut': a structurally necessary interface from group-based kinematics to set-based counting. In the presented view the basis relevant for recorded outcomes is not determined by the system Hamiltonian alone; it is induced by the measurement mapping, i.e., by the detector channel together with the coarse-grained readout that defines an instrument. The probabilistic mapping is anchored in symmetry and measure theory: by Gleason-type uniqueness (Gleason for projections in $d>2$ and Busch's extension for Positive Operator-Valued Measures (POVMs) including $d=2$), the trace rule is the unique probability measure consistent with additivity over exclusive events and basis-independence of the unitary sector. A compact qubit--pointer model yields an induced unsharp POVM $E_\pm=\tfrac12(\id\pm η\,σ_z)$ with $η$ fixed by pointer resolution, displaying explicitly how the detector induces the relevant basis. Finally, nested-observer paradoxes are tightened into a non-composability lemma: joint assignment of outcome propositions is obstructed unless a joint instrument exists. This relocates the origin of randomness to the stochasticity of the transition rules.

Pronskikh, Vitaly [Fermilab] (ORCID:00000002518174↗
DOE OSTI2025

Explaining word embeddings with perfect fidelity: a case study in predicting research impact

The best-performing approaches for scholarly document quality prediction are based on embedding models. In addition to their performance when used in classifiers, embedding models can also provide predictions even for words that were not contained in the labelled training data for the classification model, which is important in the context of the ever-evolving research terminology. Although model-agnostic explanation methods, such as Local interpretable model-agnostic explanations, can be applied to explain machine learning classifiers trained on embedding models, these produce results with questionable correspondence to the model. We introduce a new feature importance method, Self-Model Entities Rated (SMER), for logistic regression-based classification models trained on word embeddings. We show that SMER has theoretically perfect fidelity with the explained model, as the average of logits of SMER scores for individual words (SMER explanation) exactly corresponds to the logit of the prediction of the explained model. Quantitative and qualitative evaluation is performed through five diverse experiments conducted on 50,000 research articles (papers) from the CORD-19 corpus. In conclusion, through an AOPC curve analysis, we experimentally demonstrate that SMER produces better explanations than LIME, SHAP and global tree surrogates.

Coarse-grained models↗
DOE OSTI2025

Reversible Physical Gelation of Thermotropic Liquid Crystals Driven by Nanoplate Self-Assembly

Physically gelled soft materials, driven by the self-assembly of low-molecular-mass gelators (LMGs), have emerged as a platform for designing advanced gels that exhibit reversible gelation and property tunability. Liquid crystal (LC) gels are of great interest due to their supramolecular orderings as gel hosts and their enhanced electro-optical properties. In this study, we demonstrate the physical gelation of a nematic LC driven by nanoplate self-assembly, expanding the concept of gelators from small molecules to nanoparticles. These nanoplates are functionalized with promesogenic ligands and form a fibrillar network in LCs with face-to-face interplate stacking, resembling LMGs. The critical gelation volume fraction in the tilt test is only 0.14 v %, comparable to values reported for LMGs. Rheological analyses confirm viscoelastic properties characteristic of gelation. In situ small-angle X-ray scattering (SAXS) characterizes the formation of nanoplate networks in the LC with decreasing temperature, wherein LC mesogens become trapped in pores. Molecular dynamics (MD) simulations reveal that the interaction between ligand-coated nanoplates and LC-forming mesogens induces a multidomain LC structure, increasing friction between LC domains and stabilizing the gel. This study establishes direct relationships among molecular interactions, nanostructures, and mechanical properties in physically gelled LCs. In conclusion, the findings inspire the future gelator design of both LMGs and nanoplates, with potential applicability in bioscaffold engineering and liquid crystalline nanocomposites.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Anomalous softening of 3D printed elastomeric foam irradiated under compressive strain

Elastomeric foam is an essential component in many industrial and technological settings, primarily as thermal insulators and as positional/mechanical support cushions. In particular, silicone foam is utilized in harsh environments due to exceptional thermal and chemical stability. Under service conditions within certain applications such material gets exposed to a high dosage of gamma radiation, which can permanently alter the material’s structural and mechanical response properties. Most studies on gamma-exposure under inert or oxidative atmosphere indicate hardening of silicone foam, which is attributed to radiation-induced enhancement in chemical cross-linking. Here we report two contrasting effects depending on whether (non-oxidative) radiation exposure is carried out with the foam under zero or finite compressive strain. While in the former case we observe radiation-hardening consistent with previous studies, in the latter case (50% porous foam under 30% uniaxial compression) we see a monotonic decrease in Young’s modulus with increasing dosage, although solvent swelling experiments on the constituent rubber indicate a net increase in cross-link density independent of the state of strain. We quantitatively model all dose-dependent data using the Ogden Hyperfoam strain-energy function within the framework of Tobolsky two-network scheme and attribute the above anomaly to a combined effect of radiation-induced thickness change (compression set) and inherent nonlinearity in the foam’s stress-strain response.

Coarse-grained models↗
DOE OSTI2025

Stockmayer fluid simulations for viscosity and glass transition temperature of ionic liquids

We develop a Stockmayer fluid model for molecular dynamics simulations of ionic liquids that captures molecular polarization, ionic conductivity, viscosity, and glass transition temperature, using ethylammonium nitrate (EAN) as an example. The ions in EAN are treated as spheres interacting via the Lennard-Jones potential with an embedded point charge and a permanent dipole moment. We show that our simulation results for EAN are consistent with experimental data and then explore the effects of the molecular parameters on the viscosity of ionic liquids. Our results indicate that viscosity monotonically increases with ionic charge and dipole moment but non-monotonically changes with ionic diameter (or molar volume). This non-monotonic trend arises from the competition among the electrostatic interactions, molecular packing, and size asymmetry between the cation and anion. In conclusion, our model also shows that long-lived ion pairs result in higher viscosities.

Coarse-grained simulations↗
DOE OSTI2025

Harnessing ionic complexity: A modeling approach for hierarchical ionic circuit design

Since the 1950s, soft ionic devices have evolved from individual components to an expanding library of sensors, actuators, signal transmitters, and processors. However, integrating these components into complex, multifunctional systems remains challenging due to the nonintuitive and nonlinear interactions between ionic elements. In this work, we address these fundamental challenges by developing a lumped element model that enables interrogation of the physics that governs ionic circuits, as well as rapid design and optimization. Our model captures features specific to ionic charge carriers, while preserving the hierarchical design flexibility and computational efficiency of traditional circuit modeling. We demonstrate that our model can not only fit individual device behavior but also accurately predict the behavior of larger circuits formed by combining those devices. Additionally, we show how our tool utilizes the intrinsic nonlinearities of ionic systems to enable extended functionality, revealing how factors such as ion enrichment, ion leakage, and polymer charge density influence performance. Lastly, we present a fully ionic power supply, sensor, control system, and actuator for a soft robot that adapts its motion in response to environmental salt, illustrating the tool’s potential to accelerate advancements in chemical sensing, biointerfacing, biomimetic systems, and adaptive materials.

42 ENGINEERING↗