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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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All sourcesNASA NTRSDOE OSTI
DOE OSTI2017

Estimation of the superhigh-frequency magnetic permeability of alsifer from the measured permeability of composites

The magnetic permeability of alsifer was restored from the frequency dependences of the dielectric and magnetic permeabilities of powder alsifer (AlSiFe alloy)–wax matrix composites. The permeabilities were measured using the coaxial line technique within a frequency range of 0.05–20 GHz. The effect of the concentration, shape, and size of powder particles on the microwave magnetic properties of composites was considered. A good agreement between the measurement results and the Maxwell–Garnett formula generalized with consideration for the particle shape, the percolation threshold, and the skin-effect was obtained. The found sizes of particles agreed with electron microscopy and granulometry data. Both the frequency and the ferromagnetic resonance line figure of merit (FOM) for lamellar particles proved to be higher than for spherical ones. Alsifer powders were shown to be promising fillers for radioabsorbing materials.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2018

Effect of a magnetic field on the permittivity of 80%La{sub 0.7}Sr{sub 0.3}MnO{sub 3}/20%GeO{sub 2} composite

The dielectric properties of a magnetoresistive conducting two-phase 80%La{sub 0.7}Sr{sub 0.3}MnO{sub 3}/20%GeO{sub 2} (wt %) composite have been studied near the percolation threshold in magnetic fields from 0 to 15 kOe at frequencies of the measurement field from 5 kHz to 1 MHz. The samples have inductive impedances; i.e., their permittivities can be considered negative due to a high conductivity in this frequency range. The permittivity increases in magnitude in magnetic field, and the values of the magnetodielectric coefficient reach 23% at room temperature. The reasons for the effect of magnetic field on the dielectric permittivity of samples are discussed.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2018

Effect of the Crystal Structure on the Electrical Properties of Thin-Film PZT Structures

A new method of two-stage crystallization of lead zirconate–titanate (PZT) films using a seed sublayer with a low excess lead content has been proposed and realized. A seed layer with a strong texture of perovskite Pe(111) grains is formed from a solution with a lead excess of 0–5 wt %; the fast growth of the grains is provided by the deposition of the main film from a solution with high lead content. As a result, a strong Pe(111) texture with complete suppression of the Pe(100) orientation forms. An analysis of current–voltage dependences of the transient currents and the distributions of the local conductivity measured by the contact AFM method reveals two various mechanisms of current percolation that are determined by traps in the bulk and at the perovskite grain interfaces.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2018

Self-Organization of Phase Clusters in Homogeneously Disordered Polymer Composite Materials

The surface morphologies of homogeneously disordered polymer composite films and coatings prepared using mixtures of components with limited or negligible mutual solubility are studied by electron microscopy. We elaborate on the characteristic self-organization of phase clusters in our samples, in which one phase gives rise to the structural scaffold of the composite, an internal percolation cluster of particles. The cluster cavities filled with discrete particle aggregates of the other phase are characterized by a relatively narrow Gaussian-like size distribution. This topological structure arises if composites are prepared by observing specific concentration conditions or using structure modifiers that affect particle aggregation. Self-organization of phase clusters minimizes the entropy production when the components are mixed and gives rise to local ordering in spatial alternation of particle aggregates. The local order transforms into cellular disorder as the length scale increases.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2018

Effect of the Composition and the Crystal Structure on the Electrophysical Properties of the Ni{sub 1–x}W{sub x} System at Low Temperatures

The problem of establishing the correlation between, on the one hand, the chemical and phase compositions of Ni{sub 1–x}W{sub x} alloys (0 ≤ x ≤ 0.5) and, on the other hand, the character of the temperature dependences of the electrical resistivity, is considered. Based on the experimental ρ(T) curves, the concentration dependences of are reconstructed in the wide temperature range (50 K ≤ T ≤ 273 K). The ρ(x) curves have features related to a change in the crystal structures of the alloys (concentration fcc–bcc phase transition), their magnetic structures and percolation processes occurring in the two-phase fcc + bcc medium.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2026

Perspective on “Active Brownian particles moving in a random Lorentz gas”

Self-propelled active matter can exhibit vastly different behavior than systems with purely Brownian motion. In Eur. Phys. J. E 40, 23 (2017), Zeitz, Wolf, and Stark compared an active matter particle with a Brownian particle moving in a random obstacle array. They showed that near the obstacle percolation density, both Brownian and active particles exhibit the same subdiffusive behavior, but the active particle reaches a steady state more rapidly. They also found that for high activity, the active particle has a lower effective diffusion than the Brownian particle due to the increased self-trapping effect generated by the activity. This result opens new directions for the study of active matter in disordered media, including bacteria in porous media, active colloids on quenched disorder, and active particles in crowded environments.

36 MATERIALS SCIENCE↗
DOE OSTI2016

Development and Properties of Advanced Internal Magnesium Infiltration (AIMI) Processed MgB2 Wires

The development, processing, properties, and formation mechanisms of Advanced Internal Magnesium Infiltration (AIMI) MgB2 wires are discussed against a background of the related and original processes, Internal-Magnesium-Diffusion (IMD) and Magnesium-Reactive-Liquid-Infiltration (Mg-RLI). First reviewed are the formation, properties and applications of Mg-RLI bulks as basis for discussions of Mg-RLI-processed and IMD-processed wires. The transition from Mg-RLI- and IMD- to AIMI wires is explained, and the relative performances of powder-in-tube (PIT), IMD and AIMI wires are summarized in the form of an iso-Je diagram of Jc,nb versus Anb/ATOT in which ATOT, Anb, Jc,nb, and Je are, respectively, the wire s cross-sectional area, the area inside the chemical barrier, the critical current (Ic) normalized to Anb, and Ic normalized to ATOT. After the details of AIMI wire fabrication selection of starting powders, dopants, and reaction heat treatments are introduced the report goes on to describe in detail the development of high performance AIMI wires: layer Jcs, fill factors, Jes, and the effects of wire size, multifilamentarization, doping with C, and co-doping with C and Dy2O3. The two-stage mechanism of layer formation in AIMI wires is discussed: first the reactive infiltration of liquid Mg into a porous B pack, a process that terminates with the formation of a dense MgB2 layer; second the slow diffusion of Mg into any remaining B through that MgB2 layer. The report concludes with a brief general discussion of anisotropy, current percolation, and the Jc field dependence of MgB2 wires.

Collings, Prof Edward William↗
DOE OSTI2020

Review—Polymer/Ceramic Interface Barriers: The Fundamental Challenge for Advancing Composite Solid Electrolytes for Li-Ion Batteries

Composite-solid electrolytes, in which ion-conducting polymers are combined with superionic ceramics, could revolutionize electrochemical-energy-storage devices enabling higher energy density, providing greater stability during operation and enhanced safety. However, the interfacial resistance between the ceramic and polymer phases strongly suppresses the ionic conductivity and presents the main obstacle to the use of these materials. Here, we emphasize the need for a distinct focus on reducing energy barriers to interfacial ion transport and improving the cation transference number. To achieve this goal, it is essential to develop a fundamental understanding of the parameters that influence the interfacial barriers to ion transport in composite electrolytes, and to understand the effect of the type of ceramic ("active" and "inert") and its content on ion-transport phenomena. We suggest that adapting the polymer chemistry, mainly directed on polymerized ionic liquids, (PolyILs), and combined with functionalization of the surface of ceramic nanoparticles is a promising route for overcoming the high-energy-barrier challenge. Owing to high content of ion-conducting ceramics and high t+ of PolyILs, the fractional contribution of the migrating cationic species to the total ionic conductivity of polymer-in-ceramic electrolytes via an interfacial percolation path, will be close to unity, thus eliminating complications that might arise from emerging concentration gradients during the operation of solid-state batteries.

25 ENERGY STORAGE↗
DOE OSTI2021

Critical Barriers to Successful Implementation of Earth-Abundant, Mn-Rich Cathodes for Vehicle Applications and Beyond: A Detailed Study of Low SOC Impedance

We report that earth-abundant, sustainable cathode chemistries based on Mn are increasingly attractive for enabling a broader portfolio of cathode oxides. The well-known class of lithium- and manganese-rich cathodes still represents very viable options. However, despite the important work on understanding the mechanisms of voltage fade, hysteresis, and oxygen activity, relatively little attention has been given to understanding the impedance characteristics of these electrodes. In particular, an anomalous rise in area specific impedance at lower states of charge, as well as overall impedance rise and surface damage due to electrolyte interactions, represent critical barriers to implementation. This work presents a comprehensive study of impedance behavior in cobalt-free, lithium- and manganese-rich electrodes. The use of a robust surface treatment allows for long-term behavior to be probed in the absence of surface damage, capacity loss, and impedance rise due to electrolyte interactions. The anomalous rise in impedance could not be correlated to surface changes, or surface phase formation, but could be directly correlated with the bulk processes of voltage fade and voltage hysteresis. The activated material can be explained as a percolating network of higher-voltage, layered-type sites having facile Li diffusion. Interspersed throughout this network are lower-voltage, disordered sites that represent a significant barrier.

25 ENERGY STORAGE↗
DOE OSTI2022

Review—“Knees” in Lithium-Ion Battery Aging Trajectories

Lithium-ion batteries can last many years but sometimes exhibit rapid, nonlinear degradation that severely limits battery lifetime. In this work, we review prior work on “knees” in lithium-ion battery aging trajectories. We first review definitions for knees and three classes of “internal state trajectories” (termed snowball, hidden, and threshold trajectories) that can cause a knee. We then discuss six knee “pathways”, including lithium plating, electrode saturation, resistance growth, electrolyte and additive depletion, percolation-limited connectivity, and mechanical deformation—some of which have internal state trajectories with signals that are electrochemically undetectable. Additionally, we also identify key design and usage sensitivities for knees. Finally, we discuss challenges and opportunities for knee modeling and prediction. Our findings illustrate the complexity and subtlety of lithium-ion battery degradation and can aid both academic and industrial efforts to improve battery lifetime.

25 ENERGY STORAGE↗
DOE OSTI2023

Electrochemical Behavior of Low Loading Slurry Electrodes for Redox Flow Batteries

The scalability of all-iron redox flow batteries is limited by the plating reaction at the negative electrode on charge. Slurry electrodes have been proposed to allow the plated metal to remain dispersed in the electrolyte and alleviate this limitation. Greater understanding is needed in how faradaic current is distributed between the slurry and the stationary electrode/current collector, especially at relatively low slurry particle loadings. In this work, experiments were conducted using three carbon powders (Kuraray YP-50F, SGL Carbon GFG20HP, and Fisher Scientific GP14736) dispersed in aqueous acidic electrolyte to investigate the effects of slurry particle size, shape, composition, and loading on the behavior of the iron (II/III) reaction. The slurries of YP-50F carbon particles were shown to significantly enhance the faradaic reaction rate due to their high specific surface area but failed to pull the majority of the faradaic current away from the stationary electrode due to the low conductivity of the percolated network. The two graphitic carbons’ slurries did not accelerate the reaction in the same way, but their higher electrical conductivity did succeed in allowing the faradaic reaction to occur primarily on the mobile slurry instead of the stationary current collector.

25 ENERGY STORAGE↗
DOE OSTI2013

Mechanisms and Morphology Evolution in Dealloying

Historically, dealloying, the selective dissolution of elemental components from an alloy, has been studied most intensively for binary noble-metal alloys such as Ag-Au, Cu-Au and Zn-Cu. There have been three primacy "mechanisms" proposed to explain ambient temperature dealloying in such systems: "simultaneous" dissolution of both components/redeposition of the more-noble constituent, lattice diffusion-supported by a di-vacancy mechanism of the more reactive component to the alloy/electrolyte interface and percolation dissolution. Here, we briefly discuss each of these mechanisms and the corresponding dealloyed morphology. In order to examine the connection between a mechanism and morphology we examined dealloying of Mg from Mg-Cd alloys under conditions for which vacancy-mediated lattice diffusion occurs at significant rates. Depending on alloy composition and dealloying rate, we observed either "negative" dendrites or bi-continuous structures, each of which is directly associated with the operation of a particular mechanism. Our findings should be useful to researchers employing dealloying to obtain particular types nanostructured features for a variety of applications. (C) 2013 The Electrochemical Society. All rights reserved.

Chen, Q↗
DOE OSTI2021

Investigating Fracture Network Deformation Using Noble Gas Release

We investigate deformation mechanics of fracture networks in unsaturated fractured rocks from subsurface conventional detonation using dynamic noble gas measurements and changes in air permeability. We dynamically measured the noble gas isotopic composition and helium exhalation of downhole gas before and after a large subsurface conventional detonation. These noble gas measurements were combined with measurements of the subsurface permeability field from 64 discrete sampling intervals before and after the detonation and subsurface mapping of fractures in borehole walls before well completion. We saw no observable increase in radiogenic noble gas release from either an isotopic composition or a helium exhalation point of view. Large increases in permeability were observed in 13 of 64 discrete sampling intervals. Of the sampling intervals which saw large increases in flow, only two locations did not have preexisting fractures mapped at the site. Given the lack of noble gas release and a clear increase in permeability, we infer that most of the strain accommodation of the fractured media occurred along previously existing fractures, rather than the creation of new fractures, even for a high strain rate event. These results have significant implications for how we conceptualize the deformation of rocks with fracture networks above the percolation threshold, with application to a variety of geologic and geological engineering problems.

Gardner, W. Payton↗
DOE OSTI2022

A New Model for Simulating the Imbibition of a Wetting-Phase Fluid in a Matrix-Fracture Dual Connectivity System

The imbibition experiment is an effective approach for measuring petrophysical properties of porous media, with many such experiments performed over the past decade. Quite some empirical, analytical, and numerical models have been developed to simulate spontaneous imbibition of the wetting phase fluid into porous media, but limitations still exist. In previous studies, the imbibition process has been considered to give a piston-like displacement or the porous medium modeled as multiply-sized pores linked with bonds; both approaches fail to yield comprehensive results due to their neglect of the presence of irregular fractures or nonuniform flow paths through the matrix. By building a numerical model for simulating laboratory-scale experimental data, we performed imbibition tests on several fractured Barnett Shale samples having fractures either parallel ( P ) or transverse ( T ) to the bedding plane and used MATLAB to build a new numerical model by combining the imbibition process in fractures and the matrix using concepts from percolation theory. The experimental data show that the rocks with P -direction fractures have a more steady increase of imbibition rates than the case of T -direction one. As the shale matrix with low pore connectivity hampers the upward water movement, the imbibition rate of shales with T -direction fractures will decrease suddenly after the bottom layer in contact with water is saturated during the initial period. This wetting phase movement (WPM) model can simulate 3D porous media with 2D fractures. The rate of imbibition by fractured porous media is associated with physical parameters such as porosity and fracture distribution (e.g., the number and angle of fractures). Using Monte Carlo methods, we examined fracture parameters and predicted elapsed time and cumulative water imbibition, for the Barnett Shale samples. The results show that the rate of imbibed water mass is sensitive to the number of fractures directly connected to water source, and the connectivity between two neighboring grid cells is a key parameter for the wetting-front progression. The findings of this study can help to better understand the imbibition process with multiple influencing processes and factors in fractured-matrix rocks. Although the experiments, data simulation, and prediction results are based only on Barnett Shale samples, the model is readily applicable to imbibition tests of other fractured rocks to show the spatial and temporal behavior during a dynamic imbibition process that are not easily captured experimentally.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2018

pyperc v. 0.1

pyperc is a Python package for invasion percolation which models multiphase fluid migration in porous media. The model accounts for capillary pressure, buoyancy, and gravity. Regular and unstructured grids can be used. A tuning parameter can be set to adjust the stochastic nature of the process. Graphics depict fluid migration according to the invasion pressure.

Klise, Katherine↗
DOE OSTI2025

A Data Processing Pipeline To Extract A Knowledge Graph From Heterogeneous Data For Socio-technical Analysis Of Critical Infrastructure Influence

The code is written in Python and consists of the following pipeline that is implemented in Apache Airflow. This pipeline intends to understand the companies that are directly or indirectly involved with a type of critical infrastructure system at some point in that system's lifecycle. The pipeline takes a configuration file that specifies a list of initial companies to consider, a geographic region of interest, and a set of SEC form types as well as other data sources (e.g. CrunchBase) from which to extract entities and relations. There are four main components to this pipeline as currently implemented: Entity Extraction, Network Construction, Analysis, and Visualization. First, Entity Extraction, is implemented as the `topear-extract_organizations` Apache Airflow workflow. Given an initial query that specifies a geographic region of interest and a time interval, the software will extract CI facilities of interest and organizations that have a direct influence relationship to those facilities (e.g. ownership). During the course of the LDRD, we focused on Electric Vehicle charging stations and this information is available via the Department of Energy (DOE) database on fueling stations maintained by NREL. Within the context of the DOE CESER project, we have focused on Battery Energy Storage Systems (BESS). Second, the Network Extraction component will iteratively construct a social network graph given the set of organizations and people extracted in the previous step. Organizations (and eventually People if desired) are then fed as a query to the `topgear-construct_social_network` Apache Airflow workflow which given a set of initial companies and data sets (e.g. SEC EDGAR form types, OpenCorporates, Crunchbase). This Airflow workflow will iteratively query such data sources to discover relationships with new organizations and people. For example, this module can iteratively query SEC EDGAR for metadata that documents the number of each type of form for the given set of companies and their location. This forms metadata represents a catalog of data sources from SEC EDGAR for the extracted social network knowledge graph. The pipeline then downloads these forms from the website and saves them in a build directory for further processing. These documents are then parsed for entities and relations. Again, we note that in additional to SEC data sources, this step can also pull in information on organizations via API services such as CrunchBase and OpenCorporates or bulk data sources. At the end of this step, the resultant social network, the Critical Infrastructure network, and the edges that encode relationships between organizations and CI facilities, form the Adversarial Socio-Technical Network (ASTN) that informs the analysis. Third, the Analysis component processes these generated ASTN. Previously, that has included the ability to compare prevalence of different vendors for a given infrastructure component type across different regions as well as identify common public and private investors across those vendors. This was demonstrated for EV Charging Stations across several different metropolitan areas within an IEEE PES GridEdge publication. More recently, we have looked at ways to identify infrastructure owners and operators of BESS with the most nameplate capacity across different states as well as other indictors of risk resulting from changes in ownership over time. Finally, the Visualization component consists of an HTML/CSS/JS framework by which users can interact geospatial, operational, and organizational relationships across a given portfolio of Critical Infrastructure facilities. The objective is to provide a library of UI/UX modules that can be repurposed for stakeholder-specific dashboards. All of the modules are related via a common event model that enables UI actions in one view to percolate across the other views.

Weaver, Gabriel [Idaho National Laboratory (INL), ↗
DOE OSTI2014

Greenland Surface Mass Balance as Simulated by the Community Earth System Model. Part II: Twenty-First-Century Changes

This study presents the first twenty-first-century projections of surface mass balance (SMB) changes for the Greenland Ice Sheet (GIS) with the Community Earth System Model (CESM), which includes a new ice sheet component. For glaciated surfaces, CESM includes a sophisticated calculation of energy fluxes, surface albedo, and snowpack hydrology (melt, percolation, refreezing, etc.). To efficiently resolve the high SMB gradients at the ice sheet margins and provide surface forcing at the scale needed by ice sheet models, the SMB is calculated at multiple elevations and interpolated to a finer 5-km ice sheet grid. During a twenty-first-century simulation driven by representative concentration pathway 8.5 (RCP8.5) forcing, the SMB decreases from 372 ± 100 Gt yr -1 in 1980–99 to -78 ± 143 Gt yr -1 in 2080–99. The 2080–99 near-surface temperatures over the GIS increase by 4.7 K (annual mean) with respect to 1980–99, only 1.3 times the global increase (+3.7 K). Snowfall increases by 18%, while surface melt doubles. The ablation area increases from 9% of the GIS in 1980–99 to 28% in 2080–99. Over the ablation areas, summer downward longwave radiation and turbulent fluxes increase, while incoming shortwave radiation decreases owing to increased cloud cover. The reduction in GIS-averaged July albedo from 0.78 in 1980–99 to 0.75 in 2080–99 increases the absorbed solar radiation in this month by 12%. Summer warming is strongest in the north and east of Greenland owing to reduced sea ice cover. In the ablation area, summer temperature increases are smaller due to frequent periods of surface melt.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2019

The formation of spinel-group minerals in contaminated soils: the sequestration of metal(loid)s by unexpected incidental nanoparticles

Mineralogical studies of contaminated soils affected by smelter emission and dust from mining activities indicate that minerals of the spinel group are one of the common hosts of metal-bearing contaminants. Spinel group minerals typically originate from high temperature processes, but an increasing number of studies indicate that metal-bearing spinel group minerals can also form under ambient Earth surface conditions in surficial soils. In this contribution to honor Donald Sparks, we show that the spinels Zn-bearing magnetite (Zn 0.5 Fe 2.5 O 4 ) and minium (Pb 3 O 4 ) form during low temperature alteration of Pb-bearing silica glass in surficial organic rich soils in proximity to a former Cu-smelter in Timmins, Ontario, Canada. The glass most likely formed during high-temperature processes and has been either emitted by the smelter or wind-blown from waste rock piles to near-by soils. The alteration of the glass by percolating pore solutions has resulted in the formation of large micrometer-size dendritic etch features and in nanometer-size dendritic alteration halos composed of nano-size prismatic crystals of Zn-rich magnetite and spherical nanoparticles of minium. Both spinel-type phases are embedded in an amorphous silica matrix which formed during the alteration of the glass at low temperature. A review on the occurrence of spinel-group minerals in smelter-affected soils or mine tailings indicates that the formation of these minerals under ambient Earth surface conditions is quite common and often results in the sequestration of contaminants such as Cu, Ni, Zn and Sb. The pedogenic spinels often occur as euhedral crystals in nano-size mineral assemblages within alteration features such as dendritic etch patterns, mineral surface coatings and mineralized organic matter. Their well-developed crystal forms indicate that (a) they have not formed during a rapid cooling process in a smelter or refinery which typically creates spherical particulate matter, and (b) they have not been part of particulate matter added via fluvial or Aeolian processes which most commonly yield anhedral morphologies. The formation of nano-size spinel-group minerals in low temperature environmental settings may lead to the long-term storage of metal(loid)s in mineral phases and their transport over vast distances via fluvial, alluvial and Aeolian processes.

58 GEOSCIENCES↗