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

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At least 1,063 records · Page 59
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

Enhanced ordering in length-polydisperse carbon nanotube solutions at high concentrations as revealed by small angle X-ray scattering

Carbon nanotubes (CNTs) are stiff, all-carbon macromolecules with diameters as small as one nanometer and few microns long. Solutions of CNTs in chlorosulfonic acid (CSA) follow the phase behavior of rigid rod polymers interacting via a repulsive potential and display a liquid crystalline phase at sufficiently high concentration. Here, we show that small-angle X-ray scattering and polarized light microscopy data can be combined to characterize quantitatively the morphology of liquid crystalline phases formed in CNT solutions at concentrations from 3 to 6.5% by volume. We find that upon increasing their concentration, CNTs self-assemble into a liquid crystalline phase with a pleated texture and with a large inter-particle spacing that could be indicative of a transition to higher-order liquid crystalline phases. We explain how thermal undulations of CNTs can enhance their electrostatic repulsion and increase their effective diameter by an order of magnitude. By calculating the critical concentration, where the mean amplitude of undulation of an unconstrained rod becomes comparable to the rod spacing, we find that thermal undulations start to affect steric forces at concentrations as low as the isotropic cloud point in CNT solutions.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Efficient high-dimensional variational data assimilation with machine-learned reduced-order models

Abstract. Data assimilation (DA) in geophysical sciences remains the cornerstone of robust forecasts from numerical models. Indeed, DA plays a crucial role in the quality of numerical weather prediction and is a crucial building block that has allowed dramatic improvements in weather forecasting over the past few decades. DA is commonly framed in a variational setting, where one solves an optimization problem within a Bayesian formulation using raw model forecasts as a prior and observations as likelihood. This leads to a DA objective function that needs to be minimized, where the decision variables are the initial conditions specified to the model. In traditional DA, the forward model is numerically and computationally expensive. Here we replace the forward model with a low-dimensional, data-driven, and differentiable emulator. Consequently, gradients of our DA objective function with respect to the decision variables are obtained rapidly via automatic differentiation. We demonstrate our approach by performing an emulator-assisted DA forecast of geopotential height. Our results indicate that emulator-assisted DA is faster than traditional equation-based DA forecasts by 4 orders of magnitude, allowing computations to be performed on a workstation rather than a dedicated high-performance computer. In addition, we describe accuracy benefits of emulator-assisted DA when compared to simply using the emulator for forecasting (i.e., without DA). Our overall formulation is denoted AIEADA (Artificial Intelligence Emulator-Assisted Data Assimilation).

58 GEOSCIENCES↗
DOE OSTI2026

Supramolecular Assembly of Multielement Ribbon-like Structures Derived from Halide Perovskites

Halide perovskites are crucial materials with broad applications owing to their exceptional optoelectronic properties. Vacancy-ordered double perovskites, featuring highly tunable transition metal sites, enable controllable optoelectronic properties through multielement compositional design. Here, in this study, we introduced 18-crown-6 into the vacancy-ordered double perovskites system and developed two-dimensional ribbon-like single crystals (18C6@K) 2 {PtSnTeIrRe} 1 Cl 6 via an antisolvent supramolecular assembly method, demonstrating morphology modulation through multielement composition design. The crystals crystallize in the centrosymmetric space group $P\bar{1}$. The dumbbell-shaped structural units (crown ether@A)2MX6 pack along a and b axes to form a 2-dimensional (2D) monolayer, and these monolayers further stack along the c axis to generate the ribbon-like single crystals. Energy-dispersive X-ray spectroscopy (EDX) qualitatively confirmed the uniform distribution of the five transition metals throughout the crystal, while inductively coupled plasma atomic emission spectroscopy (ICP–AES) quantitatively verified their atomic ratios. We further investigated the origin of the morphology, distinct from the previously reported cube-like single crystals with the $R\bar{3}$ space group. When acetonitrile was used as the solvent, three-dimensional crystals with $R\bar{3}$ symmetry were obtained, whereas dimethylformamide (DMF) was essential for forming two-dimensional ribbon-like single crystals. The essential role of DMF could be ascribed to its capability to maintain a higher concentration of the building blocks. Moreover, Ir 4+ and Pt 4+ cations also played critical roles in inducing the two-dimensional ribbon-like morphology. The three-element (18C6@K) 2 {PtSnTe}1Cl 6 single crystals exhibited bright yellow emission under 375 nm laser excitation, demonstrating the tunability of optoelectronic properties of this class of material.

Zhu, Heqing [University of California, Berkeley, C↗
DOE OSTI2022

Development of ultra-pure gadolinium sulfate for the Super-Kamiokande gadolinium project

This paper reports the development and detailed properties of about 13 metric tons of gadolinium sulfate octahydrate, Gd 2 (SO 4 ) 3 • 8H 2 O⁠, which has been dissolved into Super-Kamiokande (SK) in the summer of 2020. We evaluate the impact of radioactive impurities in Gd 2 (SO 4 ) 3 • 8H 2 O on diffuse supernova neutrino background searches and solar neutrino observation and confirm the need to reduce radioactive and fluorescent impurities by about three orders of magnitude from commercially available high-purity Gd 2 (SO 4 ) 3 • 8H 2 O⁠. In order to produce ultra-high-purity Gd 2 (SO 4 ) 3 • 8H 2 O, we have developed a method to remove impurities from gadolinium oxide, Gd 2 O 3 , consisting of acid dissolution, solvent extraction, and pH control processes, followed by a high-purity sulfation process. All of the produced ultra-high-purity Gd 2 (SO 4 ) 3 • 8H 2 O is assayed by inductively coupled plasma mass spectrometry and high-purity germanium detectors to evaluate its quality. Because of the long measurement time of high-purity germanium detectors, we have employed several underground laboratories for making parallel measurements including the Laboratorio Subterráneo de Canfranc in Spain, Boulby in the UK, and Kamioka in Japan. In the first half of production, the measured batch purities were found to be consistent with the specifications. However, in the latter half, the Gd 2 (SO 4 ) 3 • 8H 2 O contained one order of magnitude more 228Ra than the budgeted mean contamination. This was correlated with the corresponding characteristics of the raw material Gd 2 O 3 , in which an intrinsically large contamination was present. Based on their modest impact on SK physics, they were nevertheless introduced into the detector. To reduce 228 Ra for the next stage of gadolinium loading to SK, a new process has been successfully established.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2022

Mechanical Property Evaluation of CuNb Composites Manufactured with High-Pressure Torsion

Copper is under consideration as the optimum material for both high heat flux applications and high pulsed magnets. One challenge is that copper has low strength which is problematic to deployment in these applications. One solution is to alloy copper with BCC elements to improve its mechanical properties. However, the limited solubility of the BCC elements in copper requires high deformation processes to be used in order to manufacture these 3D composites. Here, high energy ball milling combined with high pressure torsion was used to manufacture 3D Cu-Nb composites. After the consolidation the mechanical properties of the composites were measured using micro- and nanohardness testing at room and elevated temperature. The results indicated that after 10 turns during the high-pressure torsion consolidation, the mechanical properties of the composites were completely saturated displaying uniform properties across the manufactured disk. Performing the high pressure torsion at temperature further improved consolidation of the disk. The high temperature nanoindentation also indicated a change in the deformation mechanism between 200 and 500 ºC.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2022

Validation and parameterization of a novel physics-constrained neural dynamics model applied to turbulent fluid flow

We report, in fluid physics, data-driven models to enhance or accelerate time to solution are becoming increasingly popular for many application domains, such as alternatives to turbulence closures, system surrogates, or for new physics discovery. In the context of reduced order models of high-dimensional time-dependent fluid systems, machine learning methods grant the benefit of automated learning from data, but the burden of a model lies on its reduced-order representation of both the fluid state and physical dynamics. In this work, we build a physics-constrained, data-driven reduced order model for Navier–Stokes equations to approximate spatiotemporal fluid dynamics in the canonical case of isotropic turbulence in a triply periodic box. The model design choices mimic numerical and physical constraints by, for example, implicitly enforcing the incompressibility constraint and utilizing continuous neural ordinary differential equations for tracking the evolution of the governing differential equation. We demonstrate this technique on a three-dimensional, moderate Reynolds number turbulent fluid flow. In assessing the statistical quality and characteristics of the machine-learned model through rigorous diagnostic tests, we find that our model is capable of reconstructing the dynamics of the flow over large integral timescales, favoring accuracy at the larger length scales. More significantly, comprehensive diagnostics suggest that physically interpretable model parameters, corresponding to the representations of the fluid state and dynamics, have attributable and quantifiable impact on the quality of the model predictions and computational complexity.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2025

Creating Favorable Pt/Co Interfaces via a Two‐Step Approach for Constructing Highly Durable PtCo Intermetallic Fuel Cell Catalysts

Structurally ordered PtCo intermetallics are one of the most promising oxygen-reduction catalysts in proton exchange membrane fuel cells (PEMFCs) due to their intrinsically improved catalytic activity and stability relative to PtCo solid-solution alloys. However, increasing the heating temperature to achieve a desirable high degree of ordering results in severe particle agglomeration and low mass activity and stability. Herein, a two-step synthesis approach is developed to create an L1 2 -Pt 3 Co intermetallic structure with an increased ordering degree and well-dispersed ultrafine particles. The first step of the synthesis yields ultrafine Pt nanoparticles that are well-dispersed on the ZIF-8-derived carbon support. The second adsorption step enables us to fine-tune the Pt and Co interfaces, assisted by optimal amino acids, to establish a favorable Co-rich environment around fine Pt nanoparticles, facilitating Co diffusion into the Pt crystalline under mild thermal conditions (<800 °C). In conclusion, this two-step ordered L1 2 -Pt 3 Co catalyst is systematically evaluated using membrane electrode assemblies under heavy-duty vehicle (HDV) conditions and demonstrated exceptional performance and durability, retaining 1.35 A cm -2 only a 7% loss in current density at 0.7 V after an extensive accelerated stress test of 150,000 voltage cycles.

30 DIRECT ENERGY CONVERSION↗
DOE OSTI2021

Temperature-Swing Synthesis of Large-Size Single-Crystal LiNi 0.6 Mn 0.2 Co 0.2 O 2 Cathode Materials

Single-crystal lithium-nickel-manganese-cobalt-oxide (SC-NMC) has recently emerged as a promising battery cathode material due to its outstanding cycle performance and mechanical stability over the tradional polycrystalline NMC. It is favorable to further increase the grain size of SC-NMC particles to achieve a higher volumetric energy density and minimize surface-related degradations. However, the preparation of large-size yet high performance SC-NMC particles faces a challenge in choosing a suitable temperature for sintering. High temperature promotes grain growth but induces cation mixing that negatively impacts the electrochemical performance. Here we report a temperature-swing sintering (TSS) strategy with two isothermal stages that fulfils the needs for grain growth and structural ordering sequentially. A high-temperature sintering is first used for a short period of time to increase grain size and then the reaction temperature is lowered and kept constant for a longer period of time to improve structural ordering and complete the lithiation process. SC-LiNi 0.6 Mn 0.2 Co 0.2 O 2 materials prepared via TSS exhibit large grain size (~4 μm), a low degree of cation mixing (~0.9%), and outperform the control samples prepared by the conventional sintering method. Furthermore, this work highlights the importance of understanding the process-structure-property relationships and may guide the synthesis of other SC Ni-rich cathode materials.

25 ENERGY STORAGE↗
DOE OSTI2020

Effects of Solidification Cooling Rates on Microstructures and Physical Properties of Fe-6.5%Si Alloys

Compared to the widely used Fe-3.2wt%Si steel, Fe-6.5wt%Si has superior electric and magnetic properties, including higher electrical resistivity, lower iron loss, higher permeability, and near zero magnetostriction. However, Fe-6.5wt%Si sheet is difficult to produce using traditional manufacturing processes as the high silicon content favors the formation of ordered phases that embrittle the material. Fortunately, these ordered phases can be suppressed if the alloy is cooled fast enough from a high temperature kinetically trapping the disordered solid solution or amorphous state. Planar flow casting is known for its rapid solidification rate. In order to consider it as a viable method to manufacture ductile Fe-6.5wt%Si sheets, the effect of cooling rate on physical properties of Fe-6.5wt%Si alloy are systematically investigated. In this work, various cooling rates are achieved by changing melt-spin wheel speeds, which significantly affect the solidification temperature profile and have profound effects on ordering, microstructures, textures, hardness, and magnetic properties. High cooling rates result in refined grains, reduced ordering, enhanced <100> out of the plane texture, decreased hardness, and increased coercivity. This study demonstrates a critical cooling rate at ~1.7 × 10 5 K/s, corresponding to a tangential wheel speed of 5-7 m/s, below which the hardness significantly increases in agreement with the sudden increase of the ordered phases that causes the material embrittlement.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Tunable structural, morphological and optical properties of undoped, Mn, Ni and Ag-doped CuInS 2 thin films prepared by AACVD

The preparation of high-quality copper indium sulphide, CuInS 2 photo-absorber material with tunable properties for efficient, low-cost, thin film solar cells using scalable methods remains a challenge. In order to address this, high quality off-stoichiometric undoped and Mn, Ni and Ag-doped CuInS 2 (CIS) thin films have been deposited onto glass substrates by aerosol-assisted chemical vapour deposition (AACVD) using metal diethyldithiocarbamate precursors at temperatures of 350, 400 and 450 °C. Data from powder X-ray diffraction (p-XRD), Raman spectroscopy and scanning electron microscopy-energy dispersive X-ray spectroscopy (SEM-EDS) suggest a correlation of morphology and composition of tetragonal phase (chalcopyrite and copper-gold-type) sulphur-deficient microcrystalline CIS thin films. For undoped thin films, near-infrared optical absorption and emission with tunable band gap between 1.32 and 1.42 eV are likely associated with donor-acceptor pairs involving deep or shallow electronic states such as sulphur vacancies (V S •• ), indium-copper anti-sites (In Cu •• ) and indium interstitials (In i ••• ) as donors and copper vacancies (V Cu ') as acceptors. Whilst Mn-doped thin films exhibit minimal tunable properties, Ni and Ag-doped films exhibit tunable morphology, composition and near-infrared absorption for small dopant content. Here, though further studies are required to explore the defect chemistry, these results show the utility of AACVD in tuning structural, morphological and optical properties of undoped, Mn, Ni and Ag-doped CIS thin films.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Isotope dependence of transport in ST40 hot ion mode plasmas

The ST40 compact, high-field spherical tokamak, operating at 2.1 T and with 1.8 MW of neutral beam heating, achieved central carbon impurity ion temperatures in excess of 10 keV, surpassing their business milestone of 100 M °C (8.6 keV). The high temperature discharges were in the hot ion mode, with $T_i \gg T_e$, and they were achieved in both hydrogen and deuterium plasmas with deuterium neutral beam injection. In order to achieve the high temperature scenarios, careful wall conditioning and scenario optimization was carried out in $H^0 \rightarrow H^+$, $D^0 \rightarrow H^+$, and finally in $D^0 \rightarrow D^+$ plasmas. The TRANSP transport code was employed to study the dependence of confinement and transport on isotopic mass, and the conditions that led to the high measured central ion temperatures in the $D^0 \rightarrow H^+$ and $D^0 \rightarrow D^+$ plasmas. The kinetic profiles input into TRANSP were inferred from line-of-sight and limited radial measurements as well as consistency with a number of other experimental constraints. The TRANSP results first showed that the main species central ion temperature was only 0.5–1 keV lower than the measured carbon impurity temperature, and thus in the high performance plasmas also surpassed the 100 M °C level. TRANSP also showed that while the electron thermal conduction loss was dominant, reductions in central ion transport, and an effective decoupling of the ions from the electrons, led to an increase in central ion temperatures with increasing plasma mass. In fact, the associated confinement times exhibited a strong dependence on the isotopic mass of the thermal plasma. These preliminary results are foundations for dedicated experiments with full kinetic profile measurements on ST40 in the next run campaign.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2024

Experimental Demonstration of a Large Transverse Emittance Ratio 11 : 1 in the Relativistic Heavy Ion Collider for the Electron-Ion Collider

The Electron-Ion Collider (EIC), to be constructed at Brookhaven National Laboratory, will collide polarized high-energy electron beams with hadron beams, achieving luminosities of up to 1.0 × 10 34 cm –2 s –1 in the center-of-mass energy range of 20–140 GeV. In order to achieve such high luminosity, the EIC will employ small and flat beams at the interaction point. In the hadron storage ring of the EIC, the ratio of horizontal to vertical emittances is approximately 11:1. In contrast, in previous or existing hadron colliders, the horizontal and vertical emittances are typically similar or closely matched. At the Relativistic Heavy Ion Collider (RHIC), we experimentally demonstrated a large transverse emittance ratio of 11:1 with gold ion beams at a particle energy of 100 GeV per nucleon, thanks to stochastic cooling and fine decoupling. Furthermore, we demonstrated collisions with flat beams, featuring a transverse beam size ratio of 3:1 for the first time at the RHIC.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2023

Coherent correlation imaging for resolving fluctuating states of matter

Fluctuations and stochastic transitions are ubiquitous in nanometre-scale systems, especially in the presence of disorder. However, their direct observation has so far been impeded by a seemingly fundamental, signal-limited compromise between spatial and temporal resolution. Here we develop coherent correlation imaging (CCI) to overcome this dilemma. Our method begins by classifying recorded camera frames in Fourier space. Contrast and spatial resolution emerge by averaging selectively over same-state frames. Temporal resolution down to the acquisition time of a single frame arises independently from an exceptionally low misclassification rate, which we achieve by combining a correlation-based similarity metric with a modified, iterative hierarchical clustering algorithm. We apply CCI to study previously inaccessible magnetic fluctuations in a highly degenerate magnetic stripe domain state with nanometre-scale resolution. We uncover an intricate network of transitions between more than 30 discrete states. Our spatiotemporal data enable us to reconstruct the pinning energy landscape and to thereby explain the dynamics observed on a microscopic level. CCI massively expands the potential of emerging high-coherence X-ray sources and paves the way for addressing large fundamental questions such as the contribution of pinning and topology in phase transitions and the role of spin and charge order fluctuations in high-temperature superconductivity.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Quasiclassical evaluation of gluon saturation induced helicity effects

At sub-eikonal order in the high-energy limit, helicity dependences are generally contained in the transverse components of the gluon field. In the gluon saturation regime, novel helicity effects arise from the nonlinear interaction between the eikonal-order longitudinal gluon field and the sub-eikonal-order transverse gluon field. We derive this saturation induced helicity-dependent field both by solving the classical Yang-Mills equations and through direct diagrammatic calculations. Our analysis shows that the saturation induced helicity effect is intrinsically a two-particle (or multiparticle) correlation effect, rather than a single-particle distribution effect. Furthermore, we evaluate this effect in the context of double-spin asymmetry for incoherent diffractive dijet production in longitudinally polarized electron-nucleus collisions, using a simplified helicity-extended McLerran-Venugopalan model. We find that the saturation induced helicity effect further suppresses the back-to-back peak in the dijet azimuthal angle correlation, with a magnitude comparable to that of the direct helicity effect. This gluon saturation induced helicity effect may offer a novel avenue to probe gluon saturation in polarized collisions. Published by the American Physical Society 2025

Li, Ming (ORCID:0000000195509691)↗
DOE OSTI2025

Carbon nanotube coated metal mesh: Bridging nanoscale and macroscale

A novel hybrid structure has been developed by growing carbon nanotubes (CNTs) on a metal mesh that functions as a literally unlimitedly extendable backbone. This hybrid material structure provides a new approach of extending CNTs’ advantageous properties such as ultrahigh thermal and electrical conductivities, high sensitivity to gases, and distinctive wettability for different liquids with chemical inertness to macroscale—otherwise available only in nano- and microscales. In this feasibility work, CNTs were grown on a Type 316 stainless steel (SS) mesh by self-catalytical chemical vapor deposition (CVD) without the need of an externally added catalyst or catalyst support. For the radially aligned and entangled CNT forest on the SS mesh, the average CNT diameter is around 50 nm, while the length varies from 20 to 25 µm. High-resolution transmission electron microscopy analysis revealed the multiwall structure of the CNTs with >30 rolled-up graphitic sheets. Raman spectra of the CNTs showed a dominant G band, indicating a well-ordered graphitic nanostructure. Being highly hydrophobic with a water contact angle of ∼145° and oleophilic, the CNT-coated SS mesh could be used in fluid separation and organic contaminant removal from water. Moreover, CNTs are recognized for their exceptional thermal conductivity and the CNT-coated mesh offers a supportive structure with directly connected CNTs for efficient heat transfer. Proof of concept has been achieved for the CNT-coated mesh’s potentials as a liquid filter and an thermal interface material (TIM). Specifically, the CNT-coated mesh demonstrated the capability of capturing water from a water-organic mixture with a 100 % efficiency while allowing organic liquids to pass through the filter. Furthermore, when used as a TIM, the CNT-coated mesh reduced the interfacial thermal impedance by >30 %.

Carbon nanotubes (CNTS)↗
DOE OSTI2023

Fast Multigrid Reduction-in-Time for Advection via Modified Semi-Lagrangian Coarse-Grid Operators

Many iterative parallel-in-time algorithms have been shown to be highly efficient for diffusion-dominated partial differential equations (PDEs) but are inefficient or even divergent when applied to advection-dominated PDEs. We consider the application of the multigrid reduction-in-time (MGRIT) algorithm to linear advection PDEs. Here, the key to efficient time integration with this method is using a coarse-grid operator that provides a sufficiently accurate approximation to the so-called ideal coarse-grid operator. For certain classes of semi-Lagrangian discretizations, we present a novel semi-Lagrangian-based coarse-grid operator that leads to fast and scalable multilevel time integration of linear advection PDEs. The coarse-grid operator is composed of a semi-Lagrangian discretization followed by a correction term, with the correction designed so that the leading-order truncation error of the composite operator is approximately equal to that of the ideal coarse-grid operator. Parallel results show substantial speed-ups over sequential time integration for variable-wave-speed advection problems in one and two spatial dimensions, and using high-order discretizations up to order five. The proposed approach establishes the first practical method that provides small and scalable MGRIT iteration counts for advection problems.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2021

Searching for a route to synthesize in situ epitaxial Pr 2 Ir 2 O 7 thin films with thermodynamic methods

In situ growth of pyrochlore iridate thin films has been a long-standing challenge due to the low reactivity of Ir at low temperatures and the vaporization of volatile gas species such as IrO 3 (g) and IrO 2 (g) at high temperatures and high P O2 . To address this challenge, we combine thermodynamic analysis of the Pr-Ir-O 2 system with experimental results from the conventional physical vapor deposition (PVD) technique of co-sputtering. Our results indicate that only high growth temperatures yield films with crystallinity sufficient for utilizing and tailoring the desired topological electronic properties and the in situ synthesis of Pr 2 Ir 2 O 7 thin films is fettered by the inability to grow with P O2 on the order of 10 Torr at high temperatures, a limitation inherent to the PVD process. Thus, we suggest techniques capable of supplying high partial pressure of key species during deposition, in particular chemical vapor deposition (CVD), as a route to synthesis of Pr 2 Ir 2 O 7 .

Chemistry↗
DOE OSTI2021

Cycling-Induced Microstructural Changes in Alloy Anodes for Lithium-Ion Batteries

Abstract High-capacity electrochemical alloying materials, such as tin and tin-based alloys, present an opportunity for the advancement of lithium-ion batteries. However, the destructive effects of volumetric expansion must be mitigated in order to sustain this high capacity during extended cycling. One way to mitigate these effects is by alloying Sn with more malleable metals to accommodate the strain related to severe volumetric expansion. Ex situ X-ray microtomography data of cycled Cu6Sn5 pellets were used to quantify the microstructural changes that occur during lithiation and delithiation. The microtomography data were segmented into three distinct phases to evaluate phase size distributions, specific surface area, and tortuosity. Electrodes lithiated and then delithiated showed the most substantial reduction in overall phase sizes. This suggests that full lithiation of the Sn followed by partial delithiation of the Li4.4Sn to Li2CuSn can cause substantial microstructural changes related to volume expansion on lithiation and structural collapse upon delithiation. When considering other microstructural characteristics, this subset of the electrodes analyzed showed the highest tortuosity values. These results show that in addition to the mechanical degradation of the electrodes, excessive volume expansion can also influence transport networks in the active material and supporting phases of the electrode. While based on studies of the active–inactive alloy Cu6Sn5 for lithium-ion battery applications, the insights obtained are expected to be applicable to other alloy electrodes and battery chemistries.

Electrochemistry↗