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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 811 records · Page 45
All sourcesNASA NTRSDOE OSTI
DOE OSTI2017

Imaging a Central Ionized Component, a Narrow Ring, and the CO Snowline in the Multigapped Disk of HD 169142

We report Very Large Array observations at 7 mm, 9 mm, and 3 cm toward the pre-transitional disk of the Herbig Ae star HD 169142. These observations have allowed us to study the millimeter emission of this disk with the highest angular resolution so far (0.″12 × 0.″09, or 14 au × 11 au, at 7 mm). Our 7 and 9 mm images show a narrow ring of emission at a radius of ∼25 au tracing the outer edge of the inner gap. This ring presents an asymmetric morphology that could be produced by dynamical interactions between the disk and forming planets. Additionally, the azimuthally averaged radial intensity profiles of the 7 and 9 mm images confirm the presence of the previously reported gap at ∼45 au and reveal a new gap at ∼85 au. We analyzed archival DCO{sup +}(3–2) and C{sup 18}O(2–1) ALMA observations, showing that the CO snowline is located very close to this third outer gap. This suggests that growth and accumulation of large dust grains close to the CO snowline could be the mechanism responsible for this proposed outer gap. Finally, a compact source of emission is detected at 7 mm, 9 mm, and 3 cm toward the center of the disk. Its flux density and spectral index indicate that it is dominated by free–free emission from ionized gas, which could be associated with the photoionization of the inner disk, an independent object, or an ionized jet.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2018

Dynamical Constraints on the Dark Matter Distribution of the Sculptor Dwarf Spheroidal from Stellar Proper Motions

In this work, we compare the transverse velocity dispersions recently measured within the Sculptor dwarf spheroidal galaxy to the predictions of our previously published dynamical model. This was designed to fit the observed number count and velocity dispersion profiles of both metal-rich and metal-poor stars, both in cored and in cusped potentials. At the projected radius where the proper motions (PMs) were measured, this model (with no change in parameters) predicts transverse dispersions in the range of 6–9.5 km s -1 , with the tangential dispersion about 1 km s -1 larger than the (projected) radial dispersion. Both dispersions are predicted to be about 1 km s -1 larger for metal-poor than for metal-rich stars. At this projected radius, cored and cusped potentials predict almost identical transverse dispersions. The measured tangential dispersion (8.5 ± 3.2 km s -1 ) agrees remarkably well with these predictions, while the measured radial dispersion (11.5 ± 4.3 km s -1 ) differs only at about the 1σ level. Thus, the PM data are in excellent agreement with previous data, but do not help to distinguish between cored and cusped potentials. Lastly, this will require velocity dispersion data (either from PMs or from radial velocities) with uncertainties well below 1 km s -1 over a range of projected radii.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2019

The Relation between Galaxy ISM and Circumgalactic O vi Gas Kinematics Derived from Observations and ΛCDM Simulations

We introduce the first galaxy–O vi absorption kinematic study for 20 absorption systems (EW > 0.1 Å) associated with isolated galaxies (0.15 ≤ z ≤ 0.55) that have accurate redshifts and rotation curves obtained using Keck/ESI. Our sample is split into two azimuthal angle bins: major axis (Φ < 25°) and minor axis (Φ > 33°). O vi absorption along the galaxy major axis is not correlated with galaxy rotation kinematics, with only 1/10 of systems that could be explained with rotation/accretion models. This is in contrast to corotation commonly observed for Mg ii absorption. O vi along the minor axis could be modeled by accelerating outflows, but only for small opening angles, while the majority of the O vi is decelerating. Along both axes, stacked O vi profiles reside at the galaxy systemic velocity with the absorption kinematics spanning the entire dynamical range of their galaxies. The O vi found in AMR cosmological simulations exists within filaments and in halos of ~50 kpc surrounding galaxies. Simulations show that major-axis O vi gas inflows along filaments and decelerates as it approaches the galaxy, while increasing in its level of corotation. Minor-axis outflows in the simulations are effective within 50–75 kpc; beyond that they decelerate and fall back onto the galaxy. While the simulations show clear O vi kinematic signatures, they are not directly comparable to observations. When we compare kinematic signatures integrated through the entire simulated galaxy halo, we find that these signatures are washed out owing to full velocity distribution of O vi throughout the halo. We illustrate that O vi alone does not serve as a useful kinematic indicator of gas accretion, outflows, or star formation and likely best probes the halo virial temperature.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2022

Probabilistic estimation of depth-resolved profiles of soil thermal diffusivity from temperature time series: Supporting Data

This dataset consists of soil temperature time series that were used to estimate soil thermal diffusivity and its uncertainty trough the probabilistic modelling approach developed and presented in the article named "Probabilistic estimation of depth-resolved profiles of soil thermal diffusivity from temperature time series" and published in Earth Surface Dynamics. There are two compressed (.zip) files that contains synthetic (Synthetic_soiltemp_Teller.zip) and field (Field_soiltemp_Teller.zip) data. There is one MATLAB file that requires MATLAB to execute but any text editor can open it. The Synthetic_soiltemp_Teller.zip file includes 5 comma-delimited data files (.csv) each of which contains soil temperature time series generated through forward modeling (i.e., heat-conduction process in a heterogeneous medium using an explicit finite difference method) to mimic various types of temperature gradients, trend and fluctuations. These synthetic soil temperatures were used to investigate the impact of different environmental conditions on the uncertainty of thermal diffusivity estimates. The Field_soiltemp_Teller.zip file contains 28 comma-delimited data files (.csv) out of which (a) 27 files includes soil temperature time series recorded from 27 temperature probes located in a site along Teller Road about 40 km northwest of Nome, Alaska (64.72°N, 165.94°W), (b) one includes the name and coordinates of the 27 probes. These field soil temperatures were used to infer soil thermal diffusivity at numerous locations and depths in a discontinuous permafrost environment, and to evaluate the links between the estimated soil thermal diffusivity values and soil physical properties. The comma-delimited data files (.csv) of the synthetic and field soil temperature time series includes date and time (UTC) in the first column and soil temperature from 5 cm below the ground surface to 1.05 m depth (with 5 or 10 cm spacing between sensors) in the other columns. The measurements were acquired every 15 minutes. The Next-Generation Ecosystem Experiments: Arctic (NGEE Arctic), was a research effort to reduce uncertainty in Earth System Models by developing a predictive understanding of carbon-rich Arctic ecosystems and feedbacks to climate. NGEE Arctic was supported by the Department of Energy's Office of Biological and Environmental Research. The NGEE Arctic project had two field research sites: 1) located within the Arctic polygonal tundra coastal region on the Barrow Environmental Observatory (BEO) and the North Slope near Utqiagvik (Barrow), Alaska and 2) multiple areas on the discontinuous permafrost region of the Seward Peninsula north of Nome, Alaska. Through observations, experiments, and synthesis with existing datasets, NGEE Arctic provided an enhanced knowledge base for multi-scale modeling and contributed to improved process representation at global pan-Arctic scales within the Department of Energy's Earth system Model (the Energy Exascale Earth System Model, or E3SM), and specifically within the E3SM Land Model component (ELM).

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2023

Development of Multiresolution Capabilities for the Holistic Energy Resource Optimization Network (HERON) tool A progress update

INL researchers work on technoeconomic analyses for integrated energy systems (IES) using the Framework for Optimization of ResourCes and Economics (FORCE). Within FORCE, researchers use the Holistic Energy Resource Optimization Network (HERON) tool to conduct optimization of grid portfolios under uncertain market conditions. These optimizations determine optimal capacities for all IES components and strategies for resource dispatch which maximize some economic metric (e.g., net present value). Resource dispatch occurs on finer timescales (typically hours) and thus are asked to respond to a given time series (e.g. hourly load demand profiles for a grid, or pre-determined electricity prices). Volatile and complex bidding dynamics as well as poorly forecasted weather events within deregulated markets add uncertainty to the time series; FORCE can address this uncertainty by training a reduced order model on historical time series and generate unique synthetic time series which represent individual scenarios or realizations of the market. The IES configuration can be simulated under these different sampled realizations and a stochastic optimization is conducted which optimizes the expected value of the desired economic metric. The training of a synthetic time series generator is limited by the chosen time resolution; dynamics can occur on different time scales. Seasonal demand trends can dominate faster dynamical events (such as power outages from certain sectors or severe weather events) which might not get captured correctly by the trained model. In this report, we investigate different ways of addressing the training and generation of time series on multiple time scales using three main algorithms: wavelet decomposition, dynamic mode decomposition, and generative adversarial networks for time series. We demonstrate a time series analysis that yields information on not just the frequency space but also temporal space: where a fast Fourier transform can provide what frequencies dominate, the new algorithms can provide when the frequencies dominate as well. These analyses can help improve IES optimization by allowing researchers to couple simulations at different timescales when it is most needed - seasonal, day-ahead, and real time optimization - with greater computational efficiency. Future work will include implementation of a subset of the proposed algorithms into the FORCE toolset and application of these analyses into multiple timescale optimization.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2014

2D modeling of electromagnetic waves in cold plasmas

The consequences of sheath (rectified) electric fields, resulting from the different mobility of electrons and ions as a response to radio frequency (RF) fields, are a concern for RF antenna design as it can cause damage to antenna parts, limiters and other in-vessel components. As a first step to a more complete description, the usual cold plasma dielectric description has been adopted, and the density profile was assumed to be known as input. Ultimately, the relevant equations describing the wave-particle interaction both on the fast and slow timescale will need to be tackled but prior to doing so was felt as a necessity to get a feeling of the wave dynamics involved. Maxwell's equations are solved for a cold plasma in a 2D antenna box with strongly varying density profiles crossing also lower hybrid and ion-ion hybrid resonance layers. Numerical modelling quickly becomes demanding on computer power, since a fine grid spacing is required to capture the small wavelengths effects of strongly evanescent modes.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2026

Harnessing Ocean Thermal Gradients Using Thermoelectric Based Submersibles for Ocean Power Applications

The urgent need for energy solutions in marine environments has accelerated the development of innovative technologies capable of leveraging natural resources for power generation. This study introduces a buoyancy-driven submersible system designed to harness ocean thermal gradients using thermoelectric generators (TEGs) and phase change materials (PCMs). The technology aims to provide autonomous power to offshore aquaculture farms, unmanned underwater vehicles (UUVs), offshore platform illumination, and ocean sensors, significantly reducing dependence on fossil fuels. Ocean thermal gradients, especially prevalent in mid-latitude regions, exhibit temperature differences between surface and deep waters ranging from 7 degrees Celsius to 30 degrees Celsius depending on seasonal variations. The proposed submersible technology utilizes TEGs to convert thermal energy from these gradients into electrical power, generating between 0.2 and 0.5 watts, while PCMs are employed to store and regulate this energy, ensuring a stable and continuous power supply. The buoyancy-driven mechanism of the submersible enhances its capability to navigate through varying depths, optimizing its exposure to different thermal gradients and maximizing energy harvesting. The performance of this submersible system is analyzed through detailed thermodynamic assessments and computational fluid dynamics (CFD) modeling focused on heat transfer. These analyzes consider real-world ocean temperature profiles and seek to refine the interaction between TEGs and PCMs to optimize energy extraction. The evaluation encompasses several key performance metrics, including power output and energy efficiency. Results confirm the potential of this innovative technology to provide a continuous and reliable power source for marine applications. By demonstrating the feasibility of using ocean thermal gradients for energy generation, this study contributes to the broader efforts of innovation in energy technologies for harsh, remote marine environments. The implementation of such promises is significant advancements in the autonomy of marine operations. The ongoing research will further investigate scalability ensuring that the system can be effectively adapted to various marine settings and operational demands.

16 TIDAL AND WAVE POWER↗
DOE OSTI2017

Influence of chemistry, interfacial width, and non-isothermal conditions on spatially heterogeneous activated relaxation and elasticity in glass-forming free standing films

Here, we employ the Elastically Collective Nonlinear Langevin Equation (ECNLE) theory of activated relaxation to study several questions in free standing thin films of glass-forming molecular and polymer liquids. The influence of non-universal chemical aspects on dynamical confinement effects is found to be relatively weak, but with the caveat that for the systems examined, the bulk ECNLE polymer theory does not predict widely varying fragilities. Allowing the film model to have a realistic vapor interfacial width significantly enhances the reduction of the film-averaged glass transition temperature, T g , in a manner that depends on whether a dynamic or pseudo-thermodynamic averaging of the spatial mobility gradient is adopted. The nature of film thickness effects on the spatial profiles of the alpha relaxation time and elastic modulus is studied under non-isothermal conditions and contrasted with the corresponding isothermal behavior. Modest differences are found if a film-thickness dependent T g is defined in a dynamical manner. But, adopting a pseudo-thermodynamic measure of T g leads to a qualitatively new form of the alpha relaxation time gradient where highly mobile layers near the film surface coexist with strongly vitrified regions in the film interior. Consequently, the film-averaged shear modulus can increase with decreasing film thickness, despite the T g reduction and presence of a mobile surface layer. Such a behavior stands in qualitative contrast to the predicted mechanical softening under isothermal conditions. Spatial gradients of the elastic modulus are studied as a function of temperature, film thickness, probing frequency, and experimental protocol, and a rich behavior is found.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Integrated Framework of Vehicle Dynamics, Instabilities, Energy Models, and Sparse Flow Smoothing Controllers

This work presents an integrated framework of: vehicle dynamics models, with a particular attention to instabilities and traffic waves; vehicle energy models, with particular attention to accurate energy values for strongly unsteady driving profiles; and sparse Lagrangian controls via automated vehicles, with a focus on controls that can be executed via existing technology such as adaptive cruise control systems. This framework serves as a key building block in developing control strategies for human-in-the-loop traffic flow smoothing on real highways. In this contribution, we outline the fundamental merits of integrating vehicle dynamics and energy modeling into a single framework, and we demonstrate the energy impact of sparse flow smoothing controllers via simulation results.

Lee, Jonathan W.↗
DOE OSTI2016

Dynamics of intrinsic axial flows in unsheared, uniform magnetic fields

A simple model for the generation and amplification of intrinsic axial flow in a linear device, controlled shear decorrelation experiment, is proposed. This model proposes and builds upon a novel dynamical symmetry breaking mechanism, using a simple theory of drift wave turbulence in the presence of axial flow shear. This mechanism does not require complex magnetic field structure, such as shear, and thus is also applicable to intrinsic rotation generation in tokamaks at weak or zero magnetic shear, as well as to linear devices. This mechanism is essentially the self-amplification of the mean axial flow profile, i.e., a modulational instability. Hence, the flow development is a form of negative viscosity phenomenon. Unlike conventional mechanisms where the residual stress produces an intrinsic torque, in this dynamical symmetry breaking scheme, the residual stress induces a negative increment to the ambient turbulent viscosity. The axial flow shear is then amplified by this negative viscosity increment. The resulting mean axial flow profile is calculated and discussed by analogy with the problem of turbulent pipe flow. For tokamaks, the negative viscosity is not needed to generate intrinsic rotation. However, toroidal rotation profile gradient is enhanced by the negative increment in turbulent viscosity.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2010

Parallel shear flow instabilities in strongly coupled Yukawa liquids: A comparison of generalized hydrodynamic model and molecular dynamics results

Using a generalized hydrodynamic (GH) model, the growth rate spectra of Kelvin-Helmholtz (KH) instability has been obtained analytically for a step shear profile in strongly coupled Yukawa liquids. The class of shear flows studied is assumed to be incompressible in nature. The growth rate spectra calculated exhibit viscous damping at high mode numbers, destabilization at stronger coupling, and in the limit {tau}{sub m} (viscoelastic relaxation time){yields}0, reduce to the regular Navier-Stokes growth rate spectra. A direct comparison is made with previous molecular dynamics (MD) simulations [Ashwin J. and R. Ganesh, Phys. Rev. Lett. 104, 215003 (2010)] of KH instability. We find that for a given value of Reynolds number R and coupling parameter 1<{Gamma}<100, the GH and MD growth rates are in a qualitative agreement. The inclusion of the effect of shear heating as an effective coupling parameter {Gamma}{sub e} appears to improve the quantitative comparison as well.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2017

On Parallelizing Single Dynamic Simulation Using HPC Techniques and APIs of Commercial Software

Time-domain simulations are heavily used in today’s planning and operation practices to assess power system transient stability and post-transient voltage/frequency profiles following severe contingencies to comply with industry standards. Because of the increased modeling complexity, it is several times slower than real time for state-of-the-art commercial packages to complete a dynamic simulation for a large-scale model. With the growing stochastic behavior introduced by emerging technologies, power industry has seen a growing need for performing security assessment in real time. This paper presents a parallel implementation framework to speed up a single dynamic simulation by leveraging the existing stability model library in commercial tools through their application programming interfaces (APIs). Several high performance computing (HPC) techniques are explored such as parallelizing the calculation of generator current injection, identifying fast linear solvers for network solution, and parallelizing data outputs when interacting with APIs in the commercial package, TSAT. The proposed method has been tested on a WECC planning base case with detailed synchronous generator models and exhibits outstanding scalable performance with sufficient accuracy.

Diao, Ruisheng↗
DOE OSTI2020

Behind the Meter Storage for Electric Vehicle Charging, Electrochemical and Thermal Energy Storage, and Solar Photovoltaic

In response to the potentially large and irregular demand from EVs, along with changing load profiles from buildings with on-site generation, utilities are evaluating multiple options for managing dynamic loads, including time-of-use pricing, demand charges, battery storage, and curtailment of variable generation. Buildings, as well as commercial, public, and workplace EV charging operations, can use a combination of electrochemical battery storage and thermal energy storage coupled with on-site generation to manage energy costs as well as provide resiliency and reliability for EV charging and building energy loads. We are completing a behind the meter storage analysis that focuses on determining the optimal system designs and energy flows for thermal and electrochemical behind the meter storage with on-site solar photovoltaic (PV) generation enabling electric vehicle charging in various climates, building types, and utility rate structures. In completing this analysis, we have developed a tool that combines existing battery models via the System Advisor Model (SAM) and building modeling software via EnergyPlus into a single interface. This tool allows us to simulate a building with a detailed battery model to properly size the battery, thermal energy storage, and solar PV systems to maximize profit for the system owner. This also allows us to assess how the battery degrades under various supervisory control dispatch algorithms to control charging/discharging; we can also see how thermal energy storage is created and used to complement the battery to reduce thermal loads in the building. With this project, we can analyze new batteries that are designed specifically for energy storage, rather than designed to be extremely energy dense for electric vehicle applications, using battery lifetime models from other national labs and the existing SAM battery model, which has detailed lifetime and degradation parameters. We can also assess novel thermal storage technologies by integrating them into the whole building energy simulation program EnergyPlus. Because the model calls both SAM and EnergyPlus, required inputs need to be compatible for both models. These inputs include, on a high-level, the following: weather files, building and electric vehicle load profiles, electricity rate tariff information, and system cost information for the stationary battery, solar PV, and thermal storage system. The various buildings we are studying for this analysis are retail big-box grocery store, commercial office building, fleet vehicle depot and operations facility, multi-family residential, and electric vehicle charging station. For these different applications, the battery and thermal storage will be dispatched differently, and the various technologies are sized differently to optimize cost.

30 DIRECT ENERGY CONVERSION↗
DOE OSTI2023

The Concentration–Mass relation of massive, dynamically relaxed galaxy clusters: agreement between observations and ΛCDM simulations

ABSTRACT The relationship linking a galaxy cluster’s total mass with the concentration of its mass profile and its redshift is a fundamental prediction of the Cold Dark Matter (CDM) paradigm of cosmic structure formation. However, confronting those predictions with observations is complicated by the fact that simulated clusters are not representative of observed samples where detailed mass profile constraints are possible. In this work, we calculate the symmetry-peakiness-alignment (SPA) morphology metrics for maps of X-ray emissivity from the three hundred project hydrodynamical simulations of galaxy clusters at four redshifts, and thereby select a sample of morphologically relaxed, simulated clusters, using observational criteria. These clusters have on average earlier formation times than the full sample, confirming that they are both morphologically and dynamically more relaxed than typical. We constrain the concentration–mass–redshift relation of both the relaxed and complete sample of simulated clusters, assuming power-law dependences on mass (κm) and 1 + z (κζ), finding κm = −0.12 ± 0.07 and κζ = −0.27 ± 0.19 for the relaxed subsample. From an equivalently selected sample of massive, relaxed clusters observed with Chandra, we find κm = −0.12 ± 0.08 and κζ = −0.48 ± 0.19, in good agreement with the simulation predictions. The simulated and observed samples also agree well on the average concentration at a pivot mass and redshift providing further validation of the ΛCDM paradigm in the properties of the largest gravitationally collapsed structures observed. This also represents the first clear detection of decreasing concentration with redshift, a longstanding prediction of simulations in data.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2019

Edge state selection by modulating E × B shearing profile in toroidally confined plasmas

We investigate how the E × B shearing profile impacts the energy transport induced by the MHD mode in the edge of H-mode plasmas. By enhancing the outer layer (ψ nor ≈ 0.9–1) shear, the growth rate spectrum γ(n) gets narrowed with the fastest growth rate having a lower toroidal mode number. In the nonlinear stage, the MHD fluctuations tend to reach a coherent, oscillating state, which is analogous to a quiescent (Q) H mode state with edge-harmonic-oscillations. By enhancing the inner layer (ψ nor ≈ 0.7–0.8) shear, γ(n) shifts to lower n, and its width does not change much. In the nonlinear stage, the edge fluctuations tend to stay in an incoherent, oscillating state, which is analogous to a turbulent QH-mode state. Here, we also explore the underlying physics of the results and show that they are closely related to the different cross-phase dynamics of the edge MHD fluctuations induced by the variation of the edge E × B shearing profile.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2013

Molecular dynamics simulations of n-hexane at 1-butyl-3-methylimidazolium bis(trifluoromethylsulfonyl) imide interface

Molecular dynamics simulations of n-hexane adsorbed onto the interface of 1-butyl-3-methylimidazolium bis(trifluoromethylsulfonyl) imide ([bmim][Tf{sub 2}N]) are performed at three n-hexane surface densities, ranged from 0.7 to 2.3 {mu}mol/m{sup 2} at 300 K. For [bmim][Tf{sub 2}N] room-temperature ionic liquid, we use a non-polarizable all-atom force field with the partial atomic charges based on ab initio calculations for the isolated ion pair. The net charges of the ions are {+-}0.89e, which mimics the anion to cation charge transfer and polarization effects. The OPLS-AA force field is employed for modeling of n-hexane. The surface tension is computed using the mechanical route and its value decreases with increase of the n-hexane surface density. The [bmim][Tf{sub 2}N]/n-hexane interface is analyzed using the intrinsic method, and the structural and dynamic properties of the interfacial, sub-interfacial, and central layers are computed. We determine the surface roughness, global and intrinsic density profiles, and orientation ordering of the molecules to describe the structure of the interface. We further compute the survival probability, normal and lateral self-diffusion coefficients, and re-orientation correlation functions to elucidate the effects of n-hexane on dynamics of the cations and anions in the layers.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Molecular Origin of Nanoscale Anion Ordering of LiTFSI Electrolytes Revealed through SAXS/WAXS and Molecular Dynamics Simulations

Recent developments in “water-in-salt” electrolytes have precipitated a renewed effort to study imide-based electrolytes. While previous small-/wide-angle X-ray scattering (SAXS/WAXS) studies have attributed the emergence of a low-Q peak in the SAXS profile of aqueous LiTFSI electrolytes to nanometer-scale anion clustering, a molecular-level understanding of the root of these clusters remains unclear. Here, in this study, we combined molecular dynamics simulations and SAXS/WAXS to study the solvation structures of LiTFSI in acetonitrile, methanol, and water. We concluded that hydrogen bonding in water and MeOH stabilizes anion clusters, while nonpolar methyl groups on methanol and acetonitrile interrupt the nanoscale ordering of TFSI anions. This causes LiTFSI in water and MeOH electrolytes to exhibit two low-Q SAXS profile peaks while LiTFSI in acetonitrile exhibits only a single peak below Q = 1 Å –1 . These findings shed light on the underlying molecular origins of nanoscale anion clusters, which may help in the design of the next generation of electrolyte chemistries.

Trojanowski, Lucas [Univ. of Michigan, Ann Arbor, ↗