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At least 415 records · Page 23

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DOE OSTI2019

Tailorable Adhesives for Multi-material Joining, Facile Repair and Re-assembly

Joining of materials and components is inevitable as it allows versatility in assembly and repair along with reduction in time and cost of manufacturing. This work uses ‘active adhesives’ that inherit all the benefits of bonded joints, such as lightweight, eliminate holes and associated stress-concentrations, and overcomes the shortcomings of disassembly and repair. Thermoplastic adhesives modified by the incorporation of electrically conductive graphene nanoplatelets at a concentration above the percolation point provide a unique synergy of mechanical, thermal and electrical properties. While the choice of the thermoplastic is governed by the desired application the addition of the graphene nanoplatelets allows energy to be deposited primarily in the adhesive. The percolated network of graphene particles in the adhesive at less than 2% can quickly couple to high frequency radiation (microwave, or MW) via non-contact methods and increase the adhesive temperature to above the required processing temperatures. The adhesive melts and flows over the adherends and upon cooling forms a structural adhesive bond. Furthermore, the process can be used to disassemble the adhesive joint if repair or reworking is required. In this work, the concept of aforementioned active adhesives was studied using varying graphene contents in nylon-6 adhesive. Activation and re-assembly was studied on in-plane (lap-shear) joints. Structural behavior of re-assembled joints was found to be similar to thermally bonded joints. Overall, active adhesives such as the ones attempted in this work have a great potential in a wide range of applications wherein in-situ repair, re-assembly and recyclability are essential.

36 MATERIALS SCIENCE↗

DOE OSTI2022

Essential role of magnetic frustration in the phase diagrams of doped cobaltites

Doped perovskite cobaltites (e.g., La 1–x Sr x CoO 3 ) have been extensively studied for their spin-state physics, electronic inhomogeneity, and insulator-metal transitions. Ferromagnetically interacting spin-state polarons emerge at low x in the phase diagram of these compounds, eventually yielding long-range ferromagnetism. The onset of long-range ferromagnetism (x≈0.18) is substantially delayed relative to polaron percolation (x≈0.05), however, generating a troubling inconsistency. Here, in this study, Monte Carlo simulations of a disordered classical spin model are used to establish that previously ignored magnetic frustration is responsible for this effect, enabling faithful reproduction of the magnetic phase diagram.

36 MATERIALS SCIENCE↗

DOE OSTI2022

Optimizing Li‐Excess Cation‐Disordered Rocksalt Cathode Design Through Partial Li Deficiency

Li-excess disordered rocksalts (DRXs) are emerging as promising cathode materials for Li-ion batteries due to their ability to use earth-abundant transition metals. In this work, a new strategy based on partial Li deficiency engineering is introduced to optimize the overall electrochemical performance of DRX cathodes. Specifically, by using Mn-based DRX as a proof-of-concept, it is demonstrated that the introduction of cation vacancies during synthesis (e.g., Li 1.3-x Mn 2+ 0.4-x Mn 3+ x Nb 0.3 O 1.6 F 0.4 , x = 0, 0.2, and 0.4) improves both the discharge capacity and rate performance due to the more favored short-range order in the presence of Mn3+. Density functional theory calculations and Monte Carlo simulations, in combination with spectroscopic tools, reveal that introducing 10% vacancies (Li 1.1 Mn 2+ 0.2 Mn 3+ 0.2 Nb 0.3 O 1.6 F 0.4 ) enables both Mn 2+ /Mn 3+ redox and excellent Li percolation. However, a more aggressive vacancy doping (e.g., 20% vacancies in Li 0.9 Mn 3+ 0.4 Nb 0.3 O 1.6 F 0.4 ) impairs performance because it induces phase separation between an Mn-rich and a Li-rich phase.

25 ENERGY STORAGE↗

DOE OSTI2019

Garnet-rich composite solid electrolytes for dendrite-free, high-rate, solid-state lithium-metal batteries

Composite solid electrolytes (CSEs), which are composed of inorganic fillers and organic polymers, show improved safety and suppressed lithium dendrite growth in Li-metal batteries, as compared to flammable liquid electrolytes. However, the performance of current CSEs is limited by the agglomeration effect, with low content of inorganic Li + -conducting fillers and ineffective Li + transport between the inorganic fillers and the polymer matrix. To address these challenges, a new type of CSE composed of silane-modified Li 6.28 La 3 Al 0.24 Zr 2 O 12 (s@LLAZO) nanofibers and poly(ethylene glycol) diacrylate (PEGDA) is developed. Employment of the silane coupling agent, 3-(trimethoxysilyl)propyl methacrylate, enables the incorporation of a high content of LLAZO nanofibers (up to 70 wt%) with the polymer matrix and results in a well-percolated, three-dimensional LLAZO network fully embedded in the PEGDA matrix. Consequently, the silane coupling agent successfully eliminates the agglomeration effect, which ensures higher ionic conductivity, larger lithium transference number, wider electrochemical stability window, and better cycling stability for s@LLZAO-PEGDA CSEs. Excellent cycling stability and extraordinarily high rate capability (up to 10C) are demonstrated in the all-solid-state Li-metal batteries with LiFePO 4 and high-voltage Li[Ni 1/3 Mn 1/3 Co 1/3 ]O 2 cathodes at ambient temperature. This novel design of CSEs with s@LLAZO nanofibers paves the way for a new generation of improved functioning all-solid-state Li-metal batteries.

25 ENERGY STORAGE↗

DOE OSTI2016

Trapped bubbles keep pumice afloat and gas diffusion makes pumice sink

Pumice can float on water for months to years – long enough for pumice to travel across oceans and facilitate the spread of species. Long-lived pumice floatation is unexpected, however, because pumice pores are highly connected and water wets volcanic glass. As a result, observations of long floating times have not been reconciled with predictions of rapid sinking. We propose a mechanism to resolve this paradox – the trapping of gas bubbles by water within the pumice. Gas trapping refers to the isolation of gas by water within pore throats such that the gas becomes disconnected from the atmosphere and unable to escape. We use X-ray microtomography to image partially saturated pumice and demonstrate that non-condensable gas trapping occurs in both ambient temperature and hot (500 °C) pumice. Furthermore, we show that the size distribution of trapped gas clusters matches predictions of percolation theory. Finally, we propose that diffusion of trapped gas determines pumice floatation time. Experimental measurements of pumice floatation support a diffusion control on pumice buoyancy and we find that floatation time τ scales as τ∝L2Dθ2 where L is the characteristic length of pumice, D is the gas–water diffusion coefficient, and θ is pumice water saturation. A mechanistic understanding of pumice floatation is a step towards understanding how pumice is partitioned into floating and sinking components and provides an estimate for the lifetime of pumice rafts in the ocean.

58 GEOSCIENCES↗

DOE OSTI2016

The magnetic ordering in high magnetoresistance Mn-doped ZnO thin films

Here, we studied the nature of magnetic ordering in Mn-doped ZnO thin films that exhibited ferromagnetism at 300 K and superparamagnetism at 5 K. We directly inter-related the magnetisation and magnetoresistance by invoking the polaronpercolation theory and variable range of hopping conduction below the metal-to-insulator transition. By obtaining a qualitative agreement between these two models, we attribute the ferromagnetism to the s-d exchange-induced spin splitting that was indicated by large positive magnetoresistance (~40 %). Low temperature superparamagnetism was attributed to the localization of carriers and non-interacting polaron clusters. This analysis can assist in understanding the presence or absence of ferromagnetism in doped/un-doped ZnO.

36 MATERIALS SCIENCE↗

DOE OSTI2016

Nonequilibrium simulations of model ionomers in an oscillating electric field

Here, we perform molecular dynamics simulations of a coarse-grained model of ionomer melts in an applied oscillating electric field. The frequency-dependent conductivity and susceptibility are calculated directly from the current density and polarization density, respectively. At high frequencies, we find a peak in the real part of the conductivity due to plasma oscillations of the ions. At lower frequencies, the dynamic response of the ionomers depends on the ionic aggregate morphology in the system, which consists of either percolated or isolated aggregates. We show that the dynamic response of the model ionomers to the applied oscillating field can be understood by comparison with relevant time scales in the systems, obtained from independent calculations.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

DOE OSTI2018

Structure of semiconducting versus fast-ion conducting glasses in the Ag–Ge–Se system

The transition from a semiconductor to a fast-ion conductor with increasing silver content along the Ag x (Ge 0.25 Se 0.75 ) (100-x) tie line (0≤x≤25) was investigated on multiple length scales by employing a combination of electric force microscopy, X-ray diffraction, and neutron diffraction. The microscopy results show separation into silver-rich and silver-poor phases, where the Ag-rich phase percolates at the onset of fast-ion conductivity. The method of neutron diffraction with Ag isotope substitution was applied to the x=5 and x=25 compositions, and the results indicate an evolution in structure of the Ag-rich phase with change of composition. The Ag–Se nearest-neighbours are distributed about a distance of 2.64(1) Å, and the Ag–Se coordination number increases from 2.6(3) at x=5 to 3.3(2) at x=25. For x=25, the measured Ag–Ag partial pair-distribution function gives 1.9(2) Ag–Ag nearest-neighbours at a distance of 3.02(2) Å. The results show breakage of Se–Se homopolar bonds as silver is added to the Ge 0.25 Se 0.75 base glass, and the limit of glass-formation at x≃28 coincides with an elimination of these bonds. A model is proposed for tracking the breakage of Se–Se homopolar bonds as silver is added to the base glass.

74 ATOMIC AND MOLECULAR PHYSICS↗

DOE OSTI2021

Phase coexistence at the first-order Mott transition revealed by pressure-dependent dielectric spectroscopy of κ - (BEDT-TTF) 2 - Cu 2 (CN) 3

The dimer Mott insulator kappa - (BEDT-TTF) 2 - Cu 2 (CN) 3 can be tuned into metallic and superconducting states on applying pressure of 1.5 kbar and more. We have performed dielectric measurements (7.5 kHz to 5 MHz) on kappa - (BEDT-TTF) 2 - Cu 2 (CN) 3 single crystals as a function of temperature (down to T = 8 K) and pressure (up to p = 4.3 kbar). In addition to the relaxor-like dielectric behavior seen below 50 K at p = 0, that moves toward lower temperatures with pressure, a second peak emerges in ε 1 (T) around T = 15 K. When approaching the insulator-metal boundary, this peak diverges rapidly reaching ε 1 ≈ 10 5 . Our dynamical mean-field theory calculations substantiate that the dielectric catastrophe at the Mott transition is not caused by closing the energy gap, but due to the spatial coexistence of correlated metallic and insulating regions. We discuss the percolative nature of the first-order Mott insulator-to-metal transition in all details.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

DOE OSTI2023

Continuous Mott Transition in Moiré Semiconductors: Role of Long-Wavelength Inhomogeneities

Recent experiments in moiré transition metal dichalcogenide materials have reported the observation of a continuous bandwidth-tuned transition from a metal to a paramagnetic Mott insulator at a fixed filling of one electron per moiré unit cell. The electrical transport measurements reveal a number of puzzling features that are seemingly at odds with the theoretical expectations of an interaction-induced, but disorder-free, bandwidth-tuned metal-insulator transition. In this Letter, we include the effects of long-wavelength inhomogeneities, building on the results for a continuous metal-insulator transition at fixed filling in the clean limit. We examine the effects of mesoscale inhomogeneities near the critical point on transport using the framework of random resistor networks, highlighting the salient differences from a simple percolation-based picture. Finally, we place our results in the context of recent and ongoing experiments.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2017

Anisotropic Thermal Response of Packed Copper Wire

The apparent thermal conductivity of packed copper wire test specimens was measured parallel and perpendicular to the axis of the wire using laser flash, transient plane source, and transmittance test methods. Approximately 50% wire packing efficiency was produced in the specimens using either 670- or 925-μm-diameter copper wires that both had an insulation coating thickness of 37 μm. The interstices were filled with a conventional varnish material and also contained some remnant porosity. The apparent thermal conductivity perpendicular to the wire axis was about 0.5–1 W/mK, whereas it was over 200 W/mK in the parallel direction. The Kanzaki model and an finite element analysis (FEA) model were found to reasonably predict the apparent thermal conductivity perpendicular to the wires but thermal conductivity percolation from nonideal wire-packing may result in their underestimation of it.

30 DIRECT ENERGY CONVERSION↗

DOE OSTI2022

Carbon-Binder Weight Loading Optimization for Improved Lithium-Ion Battery Rate Capability

Battery performance is strongly correlated with electrode microstructure and weight loading of the electrode components. Among them are the carbon-black and binder additives that enhance effective conductivity and provide mechanical integrity. However, these both reduce effective ionic transport in the electrolyte phase and reduce energy density. Therefore, an optimal additive loading is required to maximize performance, especially for fast charging where ionic transport is essential. Such optimization analysis is however challenging due to the nanoscale imaging limitations that prevent characterizing this additive phase and thus quantifying its impact on performance. Herein, an additive-phase generation algorithm has been developed to remedy this limitation and identify percolation threshold used to define a minimal additive loading. Improved ionic transport coefficients from reducing additive loading has been then quantified through homogenization calculation, macroscale model fitting, and experimental symmetric cell measurement, with good agreement between the methods. Rate capability test demonstrates capacity improvement at fast charge at the beginning of life, from 37% to 55%, respectively for high and low additive loading during 6C CC charging, in agreement with macroscale model, and attributed to a combination of lower cathode impedance, reduced electrode tortuosity and cathode thickness.

25 ENERGY STORAGE↗

DOE OSTI2024

Carbon-Binder Optimization for Lithium-Ion Battery Extreme Fast Charge

carbon-binder additives↗

DOE OSTI2015

Threshold for ion movements in wood cell walls below fiber saturation observed by X-ray fluorescence microscopy (XFM)

Diffusion of chemicals and ions through the wood cell wall plays an important role in wood damage mechanisms. In the present work, free diffusion of ions through wood secondary walls and middle lamellae has been investigated as a function of moisture content (MC) and anatomical direction. Various ions (K, Cl, Zn, Cu) were injected into selected regions of 2 mu m thick wood sections with a microinjector and then the ion distribution was mapped by means of X-ray fluorescence microscopy with submicron spatial resolution. The MC of the wood was controlled in situ by means of climatic chamber with controlled relative humidity (RH). For all ions investigated, there was a threshold RH below which the concentration profiles did not change. The threshold RH depended upon ionic species, cell wall layer, and wood anatomical orientation. Above the threshold RH, differences in mobility among ions were observed and the mobility depended upon anatomical direction and cell wall layer. These observations support a recently proposed percolation model of electrical conduction in wood. The results contribute to understanding the mechanisms of fungal decay and fastener corrosion that occur below the fiber saturation point.

ionic conduction↗

DOE OSTI2019

Ionic transport and atomic structure of AgI-HgS-GeS 2 glasses

Quasi -ternary (AgI) x (HgS) 0.5–x/2 (GeS 2 ) 0.5–x/2 glasses, 10 –4 ≤x≤0.6 were studied over a wide composition range covering nearly 4 orders of magnitude in the mobile cation content. The glasses show a remarkable increase of the ionic conductivity by 12 orders of magnitude and exhibit two drastically different ion transport regimes: (i) a power-law critical percolation at x≲0.04, and (ii) a modifier-controlled conductivity, exponentially dependent on x≳0.1. Using Raman spectroscopy and high-energy X-ray diffraction supported by DFT modelling of the Raman spectra we show that the glass network is essentially formed by corner-sharing CS-GeS 4/2 tetrahedra. Mercury sulfide in glasses is dimorphic. The majority of Hg species (70% at x<0.2) exist as two-fold coordinated (HgS 2/2 ) n chains. Silver species have mixed (2I+2S) tetrahedral environment forming either edge–sharing ES-Ag 2 I 2 S 4/2 dimers or corner-sharing (CS-AgI 2/2 S 2/2 ) n chains. Here, the relationship between the ionic transport and atomic structure of the glasses is discussed.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2016

Effect of filter media thickness on the performance of sand drying beds used for faecal sludge management

Here the effect of sand filter media thickness on the performance of faecal sludge (FS) drying beds was determined in terms of: dewatering time, contaminant load removal efficiency, solids generation rate, nutrient content and helminth eggs viability in the dried sludge. A mixture of ventilated improved pit latrine sludge and septage in the ratio 1:2 was dewatered using three pilot-scale sludge drying beds with sand media thicknesses of 150, 250 and 350 mm. Five dewatering cycles were conducted and monitored for each drying bed. Although the 150 mm filter had the shortest average dewatering time of 3.65 days followed by 250 mm and 350 mm filters with 3.83 and 4.02 days, respectively, there was no significant difference (p > 0.05) attributable to filter media thickness configurations. However, there was a significant difference for the percolate contaminant loads in the removal and recovery efficiency of suspended solids, total solids, total volatile solids, nitrogen species, total phosphorus, chemical oxygen demand, dissolved chemical oxygen demand and biochemical oxygen demand, with the highest removal efficiency for each parameter achieved by the 350 mm filter. There were also significant differences in the nutrient content (NPK) and helminth eggs viability of the solids generated by the tested filters. Finally, filtering media configurations similar to 350 mm have the greatest potential for optimising nutrient recovery from FS.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2015

Collaborative Research. Damage and Burst Dynamics in Failure of Complex Geomaterials. A Statistical Physics Approach to Understanding the Complex Emergent Dynamics in Near Mean-Field Geological Materials

We have carried out research to determine the dynamics of failure in complex geomaterials, specifically focusing on the role of defects, damage and asperities in the catastrophic failure processes (now popularly termed “Black Swan events”). We have examined fracture branching and flow processes using models for invasion percolation, focusing particularly on the dynamics of bursts in the branching process. We have achieved a fundamental understanding of the dynamics of nucleation in complex geomaterials, specifically in the presence of inhomogeneous structures.

58 GEOSCIENCES↗

DOE OSTI2018

Unreviewed Disposal Question Evaluation: Impact of Delayed Revegetation of Closure Covers at the Area 5 Radioactive Waste Management Site, Nevada National Security Site, Nye County, Nevada

This Unreviewed Disposal Question Evaluation (UDQE) assesses the impacts of delayed revegetation of the 92-acre (ac) Low-Level Waste Management Unit (LLWMU) closure covers in the Area 5 Radioactive Waste Management Site (RWMS) on the Nevada National Security Site (NNSS). The Area 5 RWMS Performance Assessment (PA) assumes closure with fully functional evapotranspiration (ET) covers. A key safety function of ET covers is to prevent percolation of water through waste by absorbing and storing precipitation in near-surface soil until it is returned to the atmosphere by ET. The closure cover’s ET function relies heavily on native desert vegetation to transpire moisture from dry soils. Final ET closure covers were installed on the 92-ac LLWMU in 2012. Since then attempts to reestablish native vegetation on the closure covers have failed. As of 2018, perennial native vegetation is mostly absent on the covers, but a dense population of invasive weeds (e.g., Salsola paulsenii and Halogeton glomeratus) is present. This UDQE assesses the effect of delayed restoration of native desert vegetation on the hydrologic performance of the Area 5 RWMS ET covers.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗