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At least 19 records
All sourcesNASA NTRSDOE OSTI
NASA NTRS2018

Seasonal Monitoring of Melt and Accumulation Within the Deep Percolation Zone of the Greenland Ice Sheet and Comparison with Simulations of Regional Climate Modeling

Increasing melt over the Greenland Ice Sheet (GrIS) recorded over the past several years has resulted in significant changes of the percolation regime of the ice sheet. It remains unclear whether Greenland's percolation zone will act as a meltwater buffer in the near future through gradually filling all pore space or if near-surface refreezing causes the formation of impermeable layers, which provoke lateral runoff. Homogeneous ice layers within perennial firn, as well as near-surface ice layers of several meter thickness have been observed in firn cores. Because firn coring is a destructive method, deriving stratigraphic changes in firn and allocation of summer melt events is challenging. To overcome this deficit and provide continuous data for model evaluations on snow and firn density, temporal changes in liquid water content and depths of water infiltration, we installed an upward-looking radar system (upGPR) 3.4 m below the snow surface in May 2016 close to Camp Raven (66.4779 deg N, 46.2856 deg W) at 2120 m a.s.l. The radar is capable of quasi-continuously monitoring changes in snow and firn stratigraphy, which occur above the antennas. For summer 2016, we observed four major melt events, which routed liquid water into various depths beneath the surface. The last event in mid-August resulted in the deepest percolation down to about 2.3 m beneath the surface. Comparisons with simulations from the regional climate model MAR are in very good agreement in terms of seasonal changes in accumulation and timing of onset of melt. However, neither bulk density of near-surface layers nor the amounts of liquid water and percolation depths predicted by MAR correspond with upGPR data. Radar data and records of a nearby thermistor string, in contrast, matched very well for both timing and depth of temperature changes and observed water percolations. All four melt events transferred a cumulative mass of 56 kg/(sq. m) into firn beneath the summer surface of 2015. We find that continuous observations of liquid water content, percolation depths and rates for the seasonal mass fluxes are sufficiently accurate to provide valuable information for validation of model approaches and help to develop a better understanding of liquid water retention and percolation in perennial firn.

Heilig, Achim↗
DOE OSTI2026

Deciphering the Conflict Between Ion and Electron Percolating Networks in Solid-State Battery Cathodes

High-energy- and power-density solid state batteries require an optimal cathode composition and microstructural arrangement of cathode active material, solid-state electrolyte, conductive carbon, and binder to simultaneously support lithium-ion transport, electron conduction, and storage capacity. The ion and electron conducting phases in solid-state cathodes counteract each other's percolating networks as their mass ratios increase or decrease relative to each other. Here, we investigate targeted mass ratio variations of argyrodite solid electrolyte and two different types of conductive carbon (particles and fibers) in composite LiNi0.8Mn0.1Co0.1O2 (NMC811) solid-state cathodes to ascertain the ionic-electronic tradeoffs in cathode performance. Through ionic and electronic conductivity measurements on composite cathodes, as well as rate-testing and cycling performance in full cells, it is shown that the conductive carbon fibers form a percolative electronic network within the composite at a lower mass ratio (3-5 wt%) than particulate carbon (>5 wt%). The threshold to achieve electronic percolation coincides with higher accessible capacity in the cathode as the active material particles become electronically connected. However, carbon loadings beyond this percolation threshold lead to increased ion transport resistance, arising from disruptions to ionic conduction pathways and degraded contact at the interface between the electrolyte and active materials. Imaging, spectroscopy, and physics-based models quantitatively describe the relationship between carbon and electrolyte compositions and the cell's capacity and rate performance through percolation theory. This work demonstrates the importance of quantitatively understanding percolating networks in solid-state cells and that strategic engineering of conductive carbon morphologies can further increase the energy- and power-density of solid-state cells.

25 ENERGY STORAGE↗
NASA NTRS1993

Percolation technique for galaxy clustering

We study percolation in mass and galaxy distributions obtained in 3D simulations of the CDM, C + HDM, and the power law (n = -1) models in the Omega = 1 universe. Percolation statistics is used here as a quantitative measure of the degree to which a mass or galaxy distribution is of a filamentary or cellular type. The very fast code used calculates the statistics of clusters along with the direct detection of percolation. We found that the two parameters mu(infinity), characterizing the size of the largest cluster, and mu-squared, characterizing the weighted mean size of all clusters excluding the largest one, are extremely useful for evaluating the percolation threshold. An advantage of using these parameters is their low sensitivity to boundary effects. We show that both the CDM and the C + HDM models are extremely filamentary both in mass and galaxy distribution. The percolation thresholds for the mass distributions are determined.

Klypin, Anatoly↗
NASA NTRS1992

Percolation analysis of nonlinear structures in scale-free two-dimensional simulations

Results are presented of applying percolation analysis to several two-dimensional N-body models which simulate the formation of large-scale structure. Three parameters are estimated: total area (a(c)), total mass (M(C)), and percolation density (rho(c)) of the percolating structure at the percolation threshold for both unsmoothed and smoothed (with different scales L(s)) nonlinear with filamentary structures, confirming early speculations that this type of model has several features of filamentary-type distributions. Also, it is shown that, by properly applying smoothing techniques, many problems previously considered detrimental can be dealt with and overcome. Possible difficulties and prospects with the use of this method are discussed, specifically relating to techniques and methods already applied to CfA deep sky surveys. The success of this test in two dimensions and the potential for extrapolation to three dimensions is also discussed.

Dominik, Kurt G.↗
DOE OSTI2024

Percolative phase transition in few-layered MoSe 2 field-effect transistors using Co and Cr contacts

The metal-to-insulator phase transition (MIT) in two-dimensional (2D) materials under the influence of a gating electric field has revealed interesting electronic behavior and the need for a deeper fundamental understanding of electron transport processes, while attracting much interest in the development of next-generation electronic and optoelectronic devices. Although the mechanism of the MIT in 2D semiconductors is a topic under debate in condensed matter physics, our work demonstrates the tunable percolative phase transition in few-layered MoSe 2 field-effect transistors (FETs) using different metallic contact materials. Here, we attempted to understand the MIT through temperature-dependent electronic transport measurements by tuning the carrier density in a MoSe 2 channel under the influence of an applied gate voltage. In particular, we have examined this phenomenon using the conventional chromium (Cr) and ferromagnetic cobalt (Co) as two metal contacts. For both Cr and Co, our devices demonstrated n-type behavior with a room-temperature field-effect mobility of 16 cm 2 V −1 s −1 for the device with Cr-contacts and 92 cm 2 V −1 s −1 for the device with Co-contacts, respectively. Further, with low temperature measurements at 50 K, the mobilities increased significantly to 65 cm 2 V −1 s −1 for the device with Cr and 394 cm 2 V −1 s −1 for the device with Co-contacts. By fitting our experimental data to the percolative phase transition theory, the temperature-dependent conductivity data show a transition from an insulating-to-metallic behavior at a bias of ∼28 V for Cr-contacts and ∼20 V for Co-contacts. This cross-over of the conductivity can be attributed to an increase in carrier density as a function of the gate bias in temperature-dependent transfer characteristics. By extracting the critical exponents, we find that the transport behavior in the device with Co-contacts aligns closely with the 2D percolation theory. In contrast, the devices with Cr-contacts deviate significantly from the 2D limit at low temperatures.

36 MATERIALS SCIENCE↗
NASA NTRS1985

On percolation as a cosmological test

Difficulties in the use of percolation as a complementary statistic for the galaxy clustering pattern are pointed out by studying simple toy models and dynamical N-body models that represent the competing clustering scenarios. The percolation properties are found not to be very sensitive to the presence of pancakes and strings once they are clumpy, and hence they do not distinguish properly between models that are very different. In the case of very smooth pancakes, the ability to percolate depends on sampling parameters, such as the mean number density and the volume, in a way which is unknown a priori because it depends on the same properties that the test ought to measure. This problem could, in principle, be eased by using volume-limited samples of high mean number density (an order of magnitude denser than the CfA redshift survey volume limited at 4000 km/s) and by comparing to models of identical number density and volume. An alternative approach, based on the sampling effects themselves, may provide a qualitative test for pancakes in samples of lower densities.

Dekel, A.↗
NASA NTRS1993

The Fermi paradox: An approach based on percolation theory

If even a very small fraction of the hundred billion stars in the galaxy are home to technological civilizations which colonize over interstellar distances, the entire galaxy could be completely colonized in a few million years. The absence of such extraterrestrial civilizations visiting Earth is the Fermi paradox. A model for interstellar colonization is proposed using the assumption that there is a maximum distance over which direct interstellar colonization is feasible. Due to the time lag involved in interstellar communications, it is assumed that an interstellar colony will rapidly develop a culture independent of the civilization that originally settled it. Any given colony will have a probability P of developing a colonizing civilization, and a probability (1-P) that it will develop a non-colonizing civilization. These assumptions lead to the colonization of the galaxy occuring as a percolation problem. In a percolation problem, there will be a critical value of percolation probability, P(sub c). For P less than P(sub c), colonization will always terminate after a finite number of colonies. Growth will occur in 'clusters', with the outside of each cluster consisting of non-colonizing civilizations. For P greater than P(sub c), small uncolonized voids will exist, bounded by non-colonizing civilizations. For P approximately = to P(sub c), arbitrarily large filled regions exist, and also arbitrarily large empty regions.

Landis, Geoffrey A.↗
DOE OSTI2025

On the Source of Conductivity in Alkaline Zn Anodes: Zn Percolation and ZnO Bridging

Alkaline Zn anodes are fundamental to commercial Zn-MnO 2 batteries as well as emerging rechargeable designs. In these electrodes, Zn particles are both the active material and source of electronic conduction. However, there are known cases in which electronic connectivity between Zn particles or the current collecting pin is lost even though the battery continues to function. Here we use X-ray computed tomography (CT) of AA batteries to demonstrate several examples of Zn particle-to-particle connectivity breakdown, which is observed even in cases at relatively high discharge rate. This indicates maintenance of the electronic network through the less-conductive ZnO discharge product. We introduce a new equation for electronic conductivity maintained through bridges of ZnO formed between percolating Zn particles. This necessitates discarding the Bruggeman correlation and instead redefining effective electronic conductivity using percolation theory. We demonstrate that such a model for conduction enables prediction of an inverted reaction zone, which is an experimentally observed case in which significant Zn dissolution and ZnO formation occurs heavily near the current collecting pin. Current computational Zn-MnO 2 models never predict an inverted reaction zone, and thus the updated conductivity enables models to accurately explain a wider range of experimental conditions.

Guida, Dominick P. [Northeastern Univ., Boston, MA↗
DOE OSTI2025

A Percolating Path to Green Iron

About 1.9 gigatonnes of steel is produced every year emitting 7% (2.7 gigatonnes) of global CO 2 in the process. More than 50% of the CO 2 emissions come from a single step of steelmaking, known as ironmaking. Hydrogen based direct reduction (HyDR) of iron oxide to iron has emerged as an emissions free ironmaking alternative. However multi-scale phenomena ranging from nanometers to meters inside HyDR reactors exhibit detrimental microstructure evolution which resists gaseous transport of H 2 /H 2 O, slows reaction rates and disrupts continuous reactor operation. To resolve the conundrum between atomic and reactor scales, we devise a percolation-theory model to reconcile nanoscale porosity with macroscopic properties relevant to reactor design models. Using synchrotron nano X-ray computed-tomography, we quantify the evolution of pores in iron oxide pellets, and demonstrate how nano-scale pore networks influence micro and macro-scale flow properties such as permeability, diffusivity and tortuosity. Our new modeling framework bridges the gap between scales and offers the criteria to accelerate HyDR by at least 5x via feedstock-reactor synergies based on percolation.

Paul, Subhechchha↗
NASA NTRS1993

Quantitative analysis of voids in percolating structures in two-dimensional N-body simulations

We present in this paper a quantitative method for defining void size in large-scale structure based on percolation threshold density. Beginning with two-dimensional gravitational clustering simulations smoothed to the threshold of nonlinearity, we perform percolation analysis to determine the large scale structure. The resulting objective definition of voids has a natural scaling property, is topologically interesting, and can be applied immediately to redshift surveys.

Harrington, Patrick M.↗
NASA NTRS1995

Percolation effect in thick film superconductors: Using a Bi(Pb)SrCaCuO based paste to prepare a superconducting planar transformer

A thick film superconductor paste has been developed to study the properties of granulated superconductor materials, to observe the percolation effect and to confirm the theory of the conducting mechanism in the superconducting thick films. This paste was also applied to make a superconducting planar transformer. Due to the T(sub c) and advantageous current density properties the base of the past was chosen to be of Bi(Pb)SrCaCu) system. For contacts a conventional Ag/Pt paste was used. The critical temperature of the samples were between 110 K and 115 K depending on the printed layer thickness. The critical current density -at the boiling temperature of the liquid He- was between 200 - 300 A/sq cm. The R(T) and V(I) functions were measured with different parameters. The results of the measurements have confirmed the theory of conducting mechanism in the material. The percolation structure model has been built and described. As an application, a superconducting planar thick film transformer was planned and produced. Ten windings of the transformer were printed on one side of the alumina substrate and one winding was printed on the other side. The coupling between the two sides was possible through the substrate. The samples did not need special drying and firing parameters. After the preparation, the properties of the transformer were measured. The efficiency ans the losses were determined. Finally, some fundamental advantages and problems of the process were discussed.

Sali, Robert↗
NASA NTRS2018

Percolation Behaviour in the Magnetic Permeability and Electrical Conductivity in Conducting Magnetic - Insulating Non Magnetic Binary Composites

Experimental results of the complex magnetic permeability (µ) and the electrical conductivity (σ) of a granular paramagnetic Gadolinium Gallium Garnet (GGG: 0.3–26 vol%) and Teflon (PTFE) system are presented and discussed in relation to previously published (conductivity) and unpublished (permeability) studies on granular Fe3O4 – talc and Ni – talc wax systems. In these systems plots of the real conductivity (σ'(sub m)) against the volume fraction (φ) lie on characteristic sigmoid curves that when fitted to the Two Exponent Phenomenological Percolation Equation (TEPPE) confirm the existence of “percolation microstructures” with critical volume fractions (φ(sub c)). The plots of the real and imaginary permeability (µ'(sub m)) and (µ"(sub m)) satisfactorily fit to the TEPPE using the φ(sub c) obtained in each case from the “conductivity” measurements. In all three cases the conductivity results gave the exponent t > 2, and the permeability results gave t < 1.

David S McLachlan↗
NASA NTRS2024

Percolative Sulfide Core Formation in Oxidized Meteorite Parent Bodies

Most models of planetary differentiation involve the formation of metallic cores during or after extensive silicate melting, but some volatile-rich reservoirs in the protoplanetary disk did not accrete substantial amounts of Fe,Ni-metal. Instead, their potential core-forming assemblages were dominated by Fe,Ni-sulfides and oxides due to high ƒ O 2 and ƒ S 2 . Derivative melts from these assemblages may have been capable of percolative migration leading to core formation prior to silicate melting. However, no direct evidence for this process has been reported in meteoritic literature. Similarly, while many iron meteorites are thought to represent cores of their respective parent bodies, no direct evidence for Fe,Ni-sulfide/oxide cores have been reported to-date. The most promising potential for such evidence may be found in the anomalous noble metal trace element proportions of restitic oxidized primitive achondrites (i.e., brachinites, log ƒ O 2 ~IW-1), which are similar to those found in sulfides of Rumuruti-type chondrites (RCs) that contain only trace amounts of Fe,Ni-metal at log ƒ O 2 ≥ IW-1. This work addresses the following outstanding questions: (1) Are molten sulfides in oxidized meteorite assemblages capable of percolative melt migration? (2) How is this process recorded in the noble metal (i.e., siderophile/chalcophile) trace element geochemistry of relevant meteorites? (3) Did O,S-rich meteorite parent bodies form sulfide cores?

S. D. Crossley↗
DOE OSTI2025

A percolating path to green iron

About 1.9 gigatons of steel is produced every year, emitting 8% (3.6 gigatons) of global CO 2 in the process. More than 50% of the CO 2 emissions come from a single step of steel production, known as ironmaking. Hydrogen- based direct reduction (HyDR) of iron oxide to iron has emerged as an emission-free ironmaking alternative. However, multiple physical and chemical phenomena ranging from nanometers to meters inside HyDR reactors alter the microstructure and pore networks in iron oxide pellets, in ways that resist gaseous transport of H 2 /H 2 O, slow reaction rates, and disrupt continuous reactor operation. Using synchrotron nano X-ray computed tomography and percolation theory, we quantify the evolution of pores in iron oxide pellets and demonstrate how nanoscale pore connectivity influences micro- and macroscale flow properties such as permeability, diffusivity, and tortuosity. Our modeling framework connects disparate scales and offers opportunities to accelerate HyDR.

hydrogen↗
DOE OSTI2026

Nonlocal Effect of Percolated Particle Networks on Viscoelasticity of Polymer–Filler Nanocomposites: A Mesoscale Simulation Study

With nanoparticles (NPs) as fillers, polymer nanocomposites (PNCs) usually exhibit enhanced mechanical properties. However, a direct connection between the microscopic structural relaxation and macroscopic mechanical properties of PNCs remains to be established. To investigate the micro-to-macro connection, we develop a mesoscale model, in which the NPbridging polymer chains are represented by a dynamic bonded interaction between NPs, and the bulk polymer matrix is implicitly modeled by overdamped Langevin dynamics. Extensive equilibrium simulations are performed to quantify the microscopic dynamics of model PNCs. Systematic analyses of modified Rouse dynamics, dynamic structure factor, and relaxation modulus uncover that the microscopic relaxation dynamics of PNCs are significantly decelerated across different length scales because of nonlocal effects of percolated particle networks a phenomenon that has not been adequately captured in prior simulation studies. We find that NPvolume- fraction and NP-bonding-energy barrier are the two critical variables that affect bulk viscoelasticity the most. The proposed mesoscale model is versatile and provides a powerful framework for studying structure−property relations of different PNCs.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

Effect of Sulfonation Level on the Percolated Morphology and Proton Conductivity of Hydrated Fluorine-Free Copolymers: Experiments and Simulations

Using all-atom molecular dynamics simulations and a variety of experimental methods, we previously reported on a linear polyethylene with pendant phenyl sulfonated groups precisely on every fifth carbon along the backbone. With increasing relative humidity this fluorine-free polymer self-assembled to form nanoscale water channels and exhibited exceptional proton conductivity. Expanding upon those findings, here we explore partially sulfonated random copolymers, referred to as p 5PhSH-Y. Using either acetyl sulfate or sulfuric acid, a wide range of sulfonation levels were prepared ( Y = 34−98%) corresponding to ion-exchange capacities (IEC) of 2.0−4.4 mmol/g. Combining experimental techniques and all-atom molecular dynamics simulations, we study the effect of Y on water uptake, nanoscale morphology, and the proton/water transport properties of p5PhSH- Y . The proton conductivity of p 5PhSH- Y increases with relative humidity and with Y and achieves values in excess of 0.1 S/cm. These high conductivities are attributed to high IEC and welldeveloped nanoscale percolated hydrophilic domains made possible by the flexible backbone. We quantitatively describe the nature of the water channels using the characteristic distance, channel width distribution, the area per sulfonate group at the hydrophilic/ hydrophobic interface, and the fractal dimension. Notably, the channel widths and the areas per sulfonate group are nominally independent of the level of sulfonation, while depending significantly on the level of hydration. The fractal dimension of the water channels correlates strongly with the water diffusion coefficients calculated from the molecular dynamics (MD) simulations. These findings demonstrate that the p 5PhSH- Y hydrocarbon copolymers can be modified to tune properties, particularly proton conductivity.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

Glassy interphases reinforce elastomeric nanocomposites by enhancing percolation-driven volume expansion under strain

For nearly a century, introduction of nanoparticles to elastomers has yielded extraordinarily tough nanocomposites that are critical to technologies from actuators to tires. The mechanisms by which this reinforcement occurs have nevertheless remained a central open question in material science. One widely debated hypothesis posits that strong interactions between polymer and particles induce "glassy bridges" that cement particles into a cohesive percolating network that resists elongation. Here, molecular dynamics simulations show that glassy particle shells do not primarily provide elongational cohesion. Instead, they amplify an underlying mechanism wherein competition between filler and elastomer networks causes the elastomer's volume to increase on deformation. This induces contributions from the elastomer's bulk modulus, which is of order 1000 times larger than its Young's modulus. These findings establish a unified understanding of low-strain reinforcement in filled elastomers as emanating from volumetric competition between coexisting particulate and elastomeric networks. This reframes and unifies our understanding of low-strain reinforcement, provides a clear-cut diagnostic for the presence of glassy bridging, and offers a new design principle for tough elastomeric nanocomposites.

Computational Physics (physics.comp-ph)↗
NASA NTRS1990

Percolation of interaction diffusing particles

The connectivity properties of systems of diffusing interacting particles with the blind and myopic diffusion rules are studied. It is found that the blind rule case is equivalent to the lattice gas with J = 0 in all dimensions. The connectivity properties of blind rule diffusion are described by random site percolation due to the fact that the density on neighboring sites is uncorrelated.

Selinger, Robin Blumberg↗