Engineering Papers⌕ Search

SEARCH · Engineering Papers

Results for “Particle properties”

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.

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

At least 469 records · Page 26
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Enhanced Tensile and Tear Toughness Properties of Thin-Wall Vacuum-Assisted High-Pressure Die-Cast Aural-5 Alloy by Friction Stir Processing

Steadily rising demand for glider weight reduction has driven the development of vacuum-assisted high-pressure die-cast (HPDC) Al-alloys for automotive structural components. Aural-5 is a strontium-modified HPDC alloy utilizing manganese (Mn) to reduce die soldering, eliminating detrimental needle-shaped Fe-bearing ß-phase intermetallic and improving ductility. HPDC Aural-5 contains shrinkage porosity, dendrites with Al-Si eutectic colonies, externally solidified crystals (ESCs), shear-band structure, and large second-phase particulates. Porosity, ESCs and large second-phase particles work as crack initiation sites, negatively impacting tensile properties. In this study, friction stir processing (FSP) is employed for microstructural modification of a thin-walled HPDC Aural-5 by eliminating porosity and breaking down dendrites, second-phase particles, eutectic colonies, ESCs and shear-band structures to create wrought microstructure with homogenized particle distribution. Mechanical property characterization indicates ~30% and ~35% enhancement in yield strength and ductility and associated marked effects on ~69% improvement in tear toughness according to the ASTM B871 test.

Friction stir processing, Aural-5, Strength, Tear ↗
DOE OSTI2025

Generalizable Porous Aromatic Framework‐Included Polymer Membranes for Diffusion‐Enhanced Gas Separations

Industrial separation processes account for 10-15% of global energy consumption. Membrane-based processes are less energy-intensive than traditional gas separation technologies; however, enhanced material separation performance and stability for numerous gas mixtures are needed for widespread industrial adoption. This work presents a generalizable strategy for preparing mixed-matrix gas separation membranes exceeding the performance upper bounds of existing polymer membranes for a wide variety of industrial gases. By incorporating robust porous aromatic framework (PAF) particles into various dense commercial polymer matrices, gas diffusivity and solubility can be enhanced. For diverse gas mixtures (e.g., CO2/N2, O2/N2, He/CH4, H2/N2, and C2H4/C2H6), the resulting composite membranes exhibit enhanced gas permeabilities-by as much as 520%-and largely unchanged selectivities even after 6 years of aging under simulated flue gas conditions. These improvements arise from the ultrahigh porosity, excellent chemical compatibility, and unique physicochemical properties of the embedded PAF particles. Functionalizing the PAFs with polyamines also enables composite membranes that achieve among the highest reported performances against plasticization, a common obstacle in commercializing gas separation membranes. Significantly, the PAF-1 particles are readily dispersible in various common membrane casting solvents, suggesting their broader utility as a filler for designing high-performance membranes for many industrial gas separations.

Uliana, Adam A↗
DOE OSTI2024

Filled Elastomers: Mechanistic and Physics-Driven Modeling and Applications as Smart Materials

Elastomers are made of chain-like molecules to form networks that can sustain large deformation. Rubbers are thermosetting elastomers that are obtained from irreversible curing reactions. Curing reactions create permanent bonds between the molecular chains. On the other hand, thermoplastic elastomers do not need curing reactions. Incorporation of appropriated filler particles, as has been practiced for decades, can significantly enhance mechanical properties of elastomers. However, there are fundamental questions about polymer matrix composites (PMCs) that still elude complete understanding. This is because the macroscopic properties of PMCs depend not only on the overall volume fraction (ϕ) of the filler particles, but also on their spatial distribution (i.e., primary, secondary, and tertiary structure). This work aims at reviewing how the mechanical properties of PMCs are related to the microstructure of filler particles and to the interaction between filler particles and polymer matrices. Overall, soft rubbery matrices dictate the elasticity/hyperelasticity of the PMCs while the reinforcement involves polymer–particle interactions that can significantly influence the mechanical properties of the polymer matrix interface. For ϕ values higher than a threshold, percolation of the filler particles can lead to significant reinforcement. While viscoelastic behavior may be attributed to the soft rubbery component, inelastic behaviors like the Mullins and Payne effects are highly correlated to the microstructures of the polymer matrix and the filler particles, as well as that of the polymer–particle interface. Additionally, the incorporation of specific filler particles within intelligently designed polymer systems has been shown to yield a variety of functional and responsive materials, commonly termed smart materials. We review three types of smart PMCs, i.e., magnetoelastic (M-), shape-memory (SM-), and self-healing (SH-) PMCs, and discuss the constitutive models for these smart materials.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Rheology and dynamics of a solvent segregation driven gel (SeedGel)

Bicontinuous structures promise applications in a broad range of research fields, such as energy storage, membrane science, and biomaterials. Kinetically arrested spinodal decomposition is found responsible for stabilizing such structures in different types of materials. A recently developed solvent segregation driven gel (SeedGel) is demonstrated to realize bicontinuous channels thermoreversibly with tunable domain sizes by trapping nanoparticles in a particle domain. As the mechanical properties of SeedGel are very important for its future applications, a model system is characterized by temperature-dependent rheology. The storage modulus shows excellent thermo-reproducibility and interesting temperature dependence with the maximum storage modulus observed at an intermediate temperature range (around 28 °C). SANS measurements are conducted at different temperatures to identify the macroscopic solvent phase separation during the gelation transition, and solvent exchange between solvent and particle domains that is responsible for this behavior. Further, the long-time dynamics of the gel is further studied by X-ray Photon Correlation Spectroscopy (XPCS). The results indicate that particles in the particle domain are in a glassy state and their long-time dynamics are strongly correlated with the temperature dependence of the storage modulus.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2023

Critical magnetic Reynolds number of the turbulent dynamo in collisionless plasmas

The intracluster medium of galaxy clusters is an extremely hot and diffuse, nearly collisionless plasma, which hosts dynamically important magnetic fields of ~μG strength. Seed magnetic fields of much weaker strength of astrophysical or primordial origin can be present in the intracluster medium. In collisional plasmas, which can be approximated in the magnetohydrodynamical (MHD) limit, the turbulent dynamo mechanism can amplify weak seed fields to strong dynamical levels efficiently by converting turbulent kinetic energy into magnetic energy. However, the viability of this mechanism in weakly collisional or completely collisionless plasma is much less understood. In this study, we explore the properties of the collisionless turbulent dynamo using three-dimensional hybrid-kinetic particle-in-cell simulations. We explore the properties of the collisionless turbulent dynamo in the kinematic regime for different values of the magnetic Reynolds number, Rm, initial magnetic-to-kinetic energy ratio, (E mag /E kin ) i , and initial Larmor ratio, (r Larmor /L box ) i , i.e. the ratio of the Larmor radius to the size of the turbulent system. We find that in the ‘un-magnetized’ regime, (r Larmor /L box ) i > 1, the critical magnetic Reynolds number for the dynamo action Rm crit ≈ 107 ± 3. In the ‘magnetized’ regime, (r Larmor /L box ) i ≲ 1, we find a marginally higher Rm crit = 124 ± 8. We find that the growth rate of the magnetic energy does not depend on the strength of the seed magnetic field when the initial magnetization is fixed. We also study the distribution and evolution of the pressure anisotropy in the collisionless plasma and compare our results with the MHD turbulent dynamo.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2020

Computational predictions of porosities, pore size distributions, and conductivities of aerosol deposited particulate films

The structure and resulting physical properties of aerosol deposited particulate films are governed by the size distribution and morphology of the depositing particles as well as the physics governing particle deposition. While particulate film deposition processes are qualitatively understood, the link between particle characteristics and deposition physics to film properties has not been probed systematically. Here we apply a combination of Langevin dynamics deposition simulations, Monte Carlo pore size distribution calculations, and predictions of thermal conductivities to better establish such process parameter-film property relationships. Furthermore, we account for partial coalescence, polydispersity, and aggregate deposition. We establish that the deposition of polydisperse and aggregated particles leads to broadening of the pore size distribution function and an increase in the mode pore size. Via a non-continuum gas conductivity model, we show that aerosol deposited films can achieve porosities and thermal conductivities similar to conventional aerogels.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Impact of anisotropy on TRISO fuel performance

Manufacturing of tristructural isotropic (TRISO) particles involves the deposition of pyrolytic carbon (PyC) and silicon carbide (SiC) layers using the fluidized bed chemical vapor deposition (CVD) process. The CVD process is known to generate polycrystalline layers with crystallographic textures, which imparts anisotropic thermophysical properties to the layers. Past studies have shown the risk for particle failure increases with an increase in anisotropy. The limit beyond which the anisotropy of PyC layers becomes unacceptable due to failure risk has been identified as a high-priority knowledge gap. This work presents a first systematic study on the effects of anisotropic thermal and mechanical properties on TRISO fuel performance. This computational study, performed using the fuel performance code BISON, investigates how the anisotropy in elasticity and thermal properties affect the stresses, temperature, and failure of a TRISO particle. The influence of other factors, such as operating temperature and particle geometry on the anisotropy effects, also has been analyzed. The studies utilize the recently published anisotropic elasticity and thermal behavior models for TRISO PyC and SiC layers implemented using tensors with full anisotropic capability. The spherical TRISO particles with anisotropic properties were found to have greater maximum tensile stress and significantly higher failure probability than the spherical particles with isotropic properties. In conclusion, the fuel performance predicted using these recently developed models was found to be comparable with the performance obtained using the historical models.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2022

Correction to: Investigating the rheology of fluidized and non-fluidized gas-particle beds: implications for the dynamics of geophysical flows and substrate entrainment

We report natural geophysical mass flows are among the most complex granular systems and their dynamics are often modified by the presence of an interstitial fluid. Prediction of their runout requires the development of models estimating the solid stresses in these hazardous currents wherein excess pore-fluid pressure can develop. We use discrete element modelling (DEM-CFD) with a Coarse-Graining post-processing technique (CG) to investigate the rheology of unsteady gas-particle fluidized to non-fluidized granular beds placed on horizontal and inclined planes. Similar to fluidized beds immersed in viscous fluids, the effective friction coefficient of air-fluidized beds can be defined as a function of the classic μ(I)-rheology and the non-dimensional fluid or solid pressure to explain the failure and dynamics of granular flows with excess pore pressure on inclines. However, dilation imposed by fluid drag and particle collisions in gas-particle fluidized beds can drastically change its effective frictional properties. In contrast with the common assumption in water-particle flows that granular temperature is negligible, in our gas-particle simulations, the contribution of the velocity fluctuations to the stress tensor is significant. Hence, the shear stress is found to be non-zero even when the flow is fully fluidized in the inertial regime. These results suggest the need to better understand velocity fluctuations to predict the effective viscosity of sheared fluidized mixtures and are relevant for many applications. Notably, a unified approach is useful for many geophysical flows that encompass a range of fluidization conditions in a single flow such as pyroclastic density currents and snow avalanches.

58 GEOSCIENCES↗
DOE OSTI2023

Fractal dimensions of jammed packings with power-law particle size distributions in two and three dimensions

Static structure factors are computed for large-scale, mechanically stable, jammed packings of frictionless spheres (three dimensions) and disks (two dimensions) with broad, power-law size dispersity characterized by the exponent -β. Here, the static structure factor exhibits diverging power-law behavior for small wave numbers, allowing us to identify a structural fractal dimension d f . In three dimensions, d f ≈ 2.0 for 2.5≤ β ≤ 3.8, such that each of the structure factors can be collapsed onto a universal curve. In two dimensions, we instead find 1.0≲ d f ≲1.34 for 2.1≤ β ≤ 2.9. Furthermore, we show that the fractal behavior persists when rattler particles are removed, indicating that the long-wavelength structural properties of the packings are controlled by the large particle backbone conferring mechanical rigidity to the system. A numerical scheme for computing structure factors for triclinic unit cells is presented and employed to analyze the jammed packings.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2020

Simultaneous transmission/absorption photometry of particle-laden filters from wildland fires during the Biomass Burning Observation Project (BBOP) field campaign

Transmissivity and absorptivity measurements were carried out simultaneously in the visible (wavelength of 532 nm) at laboratory conditions using particle-laden filters obtained from a three-wavelength particle/soot absorption photometer (PSAP). Here, the particles were collected on filters from wildland fires over the Pacific Northwest during the Department of Energy Biomass Burning Observation Project (BBOP) field campaign in 2013. The objective of this investigation was to apply this measurement approach, referred to as simultaneous transmission/absorption photometry (STAP), to estimate the aerosol extinction coefficient from actual field-campaign filter aerosol, and compare results with the PSAP. The STAP approach offers several advantages over the PSAP, including estimation of the extinction coefficient from temperature measurements (avoiding the complexities associated with filter reflectivity/scattering measurements), as well as determination of the filter optical properties and filter effects on particle absorption (resulting in particle absorption enhancement). The experimental arrangement included a laser probe beam impinging normal to the particle-coated surface of a vertically mounted filter, and a thermocouple placed flush in the middle of (and in thermal contact with) the filter uncoated back surface. With this simple arrangement, the transmissivity and absorptivity were determined simultaneously at a given laser beam wavelength. The measurement repeatability was better than 0.3 K (95% confidence level) for temperature and 0.4 mW for laser power. The limit of detection for the extinction coefficient was estimated to be (8–12) Mm -1 (95% confidence level) at about 1.9 mW laser power. The extinction coefficient was determined through measurement of both PSAP blank and exposed filters. Filters were obtained from nine different aircraft flights conducted during the BBOP campaign, representing different flight patterns, days, stages of burning, landscapes, and wildland fires. The STAP extinction coefficient matched the darkness of the filter coating, however the PSAP-filter results did not follow the same order. Although there were differences in transmissivity between the two techniques, the estimated values for absorption coefficient were in good agreement.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2022

Basis for the ICRP’s updated biokinetic model for systemic astatine

The International Commission on Radiological Protection (ICRP) recently updated its biokinetic models for workers in a series of reports called the OIR (occupational intakes of radionuclides) series. A new biokinetic model for astatine (At), the heaviest member of the halogen family, was adopted in OIR Part 5 (ICRP in press). Occupational intakes of radionuclides: Part 5). Furthermore, this paper provides an overview of available biokinetic data for At; describes the basis for the ICRP's updated model for At; and tabulates dose coefficients for intravenous injection of each of the two longest lived and most important At isotopes, 211 At and 210 At. At-211 (T 1/2 = 7.214 h) is a promising radionuclide for use in targeted α-particle therapy due to several favourable properties including its half-life and the absence of progeny that could deliver significant radiation doses outside the region of α-particle therapy. At-210 (T 1/2 = 8.1 h) is an impurity generated in the production of 211 At in a cyclotron and represents a potential radiation hazard via its long-lived progeny 210 Po (T 1/2 = 138 days). Tissue dose coefficients for injected 210 At and 211 At based on the updated model are shown to differ considerably from values based on the ICRP's previous model for At, particularly for the thyroid, stomach wall, salivary glands, lungs, spleen, and kidneys.

61 RADIATION PROTECTION AND DOSIMETRY↗
DOE OSTI2022

Ambient Aerosol Is Physically Larger on Cloudy Days in Bondville, Illinois

Particle chemical composition affects aerosol optical and physical properties in ways important for the fate, transport, and impact of atmospheric particulate matter. For example, hygroscopic constituents take up water to increase the physical size of a particle, which can alter the extinction properties and atmospheric lifetime. At the collocated AERosol RObotic NETwork (AERONET) and Interagency Monitoring of PROtected Visual Environments (IMPROVE) network monitoring stations in rural Bondville, Illinois, we employ a novel cloudiness determination method to compare measured aerosol physicochemical properties on predominantly cloudy and clear sky days from 2010 to 2019. On cloudy days, aerosol optical depth (AOD) is significantly higher than on clear sky days in all seasons. Measured angstrom ngstro''m exponents are significantly smaller on cloudy days, indicating physically larger average particle size for the sampled populations in all seasons except winter. Mass concentrations of fine particulate matter that include estimates of aerosol liquid water (ALW) are higher on cloudy days in all seasons but winter. More ALW on cloudy days is consistent with larger particle sizes inferred from angstrom ngstro''m exponent measurements. Aerosol chemical composition that affects hygroscopicity plays a determining impact on cloudy versus clear sky differences in AOD, angstrom ngstro''m exponents, and ALW. This work highlights the need for simultaneous collocated, high-time-resolution measurements of both aerosol chemical and physical properties, in particular at cloudy times when quantitative understanding of tropospheric composition is most uncertain.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2021

Measurements of dihadron correlations relative to the event plane in Au+Au collisions at $\sqrt{s_{NN}} =200$ GeV*

Dihadron azimuthal correlations containing a high transverse momentum ($ p_{T} $) trigger particle are sensitive to the properties of the nuclear medium created at RHIC through the strong interactions occurring between the traversing parton and the medium, i.e. jet-quenching. Previous measurements revealed a strong modification to dihadron azimuthal correlations in Au+Au collisions with respect to p+p and d+Au collisions. The modification increases with the collision centrality, suggesting a path-length or energy density dependence to the jet-quenching effect. This paper reports STAR measurements of dihadron azimuthal correlations in mid-central (20%-60%) Au+Au collisions at $ \sqrt{s_{\rm{NN}}} = 200 $ GeV as a function of the trigger particle's azimuthal angle relative to the event plane, $ \phi_{s} = | \phi_{t}- \psi_{{\rm{EP}}}| $. The azimuthal correlation is studied as a function of both the trigger and associated particle $ p_{T} $. The subtractions of the combinatorial background and anisotropic flow, assuming Zero Yield At Minimum (ZYAM), are described. The correlation results are first discussed with subtraction of the even harmonic (elliptic and quadrangular) flow backgrounds. The away-side correlation is strongly modified, and the modification varies with $ \phi_{s} $, with a double-peak structure for out-of-plane trigger particles. The near-side ridge (long range pseudo-rapidity $ \Delta\eta $ correlation) appears to drop with increasing $ \phi_{s} $ while the jet-like component remains approximately constant. The correlation functions are further studied with the subtraction of odd harmonic triangular flow background arising from fluctuations. It is found that the triangular flow, while responsible for the majority of the amplitudes, is not sufficient to explain the $ \phi_{s} $-dependence of the ridge or the away-side double-peak structure. The dropping ridge with $ \phi_{s} $ could be attributed to a $ \phi_{s} $-dependent elliptic anisotropy; however, the physics mechanism of the ridge remains an open question. Even with a $ \phi_{s} $-dependent elliptic flow, the away-side correlation structure is robust. These results, with extensive systematic studies of the dihadron correlations as a function of $ \phi_{s} $, trigger and associated particle $ p_{T} $, and the pseudo-rapidity range $ \Delta\eta $, should provide stringent inputs to help understand the underlying physics mechanisms of jet-medium interactions in high energy nuclear collisions.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2020

A robust clustering algorithm for analysis of composition-dependent organic aerosol thermal desorption measurements

Abstract. One of the challenges of understanding atmospheric organic aerosol (OA) particles stems from its complex composition. Mass spectrometry is commonly used to characterize the compositional variability of OA. Clustering of a mass spectral dataset helps identify components that exhibit similar behavior or have similar properties, facilitating understanding of sources and processes that govern compositional variability. Here, we developed an algorithm for clustering mass spectra, the noise-sorted scanning clustering (NSSC), appropriate for application to thermal desorption measurements of collected OA particles from the Filter Inlet for Gases and AEROsols coupled to a chemical ionization mass spectrometer (FIGAERO-CIMS). NSSC, which extends the common density-based special clustering of applications with noise (DBSCAN) algorithm, provides a robust, reproducible analysis of the FIGAERO temperature-dependent mass spectral data. The NSSC allows for the determination of thermal profiles for compositionally distinct clusters of mass spectra, increasing the accessibility and enhancing the interpretation of FIGAERO data. Applications of NSSC to several laboratory biogenic secondary organic aerosol (BSOA) systems demonstrate the ability of NSSC to distinguish different types of thermal behaviors for the components comprising the particles along with the relative mass contributions and chemical properties (e.g., average molecular formula) of each mass spectral cluster. For each of the systems examined, more than 80 % of the total mass is clustered into 9–13 mass spectral clusters. Comparison of the average thermograms of the mass spectral clusters between systems indicates some commonality in terms of the thermal properties of different BSOA, although with some system-specific behavior. Application of NSSC to sets of experiments in which one experimental parameter, such as the concentration of NO, is varied demonstrates the potential for mass spectral clustering to elucidate the chemical factors that drive changes in the thermal properties of OA particles. Further quantitative interpretation of the thermograms of the mass spectral clusters will allow for a more comprehensive understanding of the thermochemical properties of OA particles.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2020

Toughening by Nanodroplets: Polymer–Droplet Biocomposite with Anomalous Toughness

The development of new polymer composites is highly dependent on the design of novel fillers that can bring more benefits in the design and control of structure–property–function than conventional solid particles. Here, inspired by the unique coupling structures of tough mussel byssus, we employ nanodroplets of high-boiling-point oligomers as the liquid filler to fabricate a new class of polymer–droplet composites (PDCs). The combination of nanodroplets and chain end/tail modifier in PDCs finally generates soft-coupling structures with chain ends coupled by the nanodroplets. With this strategy, brittle poly(lactic acid) is successfully transformed into a tough bioplastic with toughness improved by over 2000% via a minimal amount of the modifiers (1.5 wt %). Moreover, the composites show unexpected speed-enhanced energy absorption capability. A soft-coupling toughening mechanism is further proposed for the first time to understand the PDCs’ mechanical properties. This work also indicates the potential of nanodroplets as a new tool for tuning the mechanical properties and even functions of polymer composites.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Characterization of Aluminum Metal Powders for Plutonium-238 Program

As part of radioisotope thermoelectric generator (RTG) production for power sources in deep space exploration, Oak Ridge National Laboratory (ORNL) produces plutonium-238 ( 238 Pu). To produce 238 Pu, neptunium-237 ( 237 Np) targets are fabricated at ORNL and subsequently irradiated at the High Flux Isotope Reactor (HFIR) at ORNL and the Advanced Test Reactor (ATR) at Idaho National Laboratory (INL). Specifically, current flowsheets utilize neptunium dioxide ( 237 NpO 2 ) targets. Aluminum (Al) powder is blended with 237 NpO 2 target material to improve thermal conductivity during irradiation. The current composition of 237 NpO 2 /Al pellets (i.e., cermets, or ceramic–metallics) is 20% 237 NpO 2 , 70% Al, and 10% void space. Al powders utilized by the 238 Pu program are high-fired under vacuum before blending into targets. The primary objective of this work is to measure the physical, chemical, and thermal properties of Al before and after the high-firing process. Properties of interest include the morphology, surface texture, particle size, crystal phase(s), and thermal conductivity of the material. These properties are measured with existing materials characterization equipment at ORNL, including powder x-ray diffraction (pXRD), scanning electron microscopy (SEM) with energy-dispersive spectroscopy (EDS), laser flash analysis (LFA), and thermogravimetric analysis (TGA). A secondary objective of this work is to compare the Al powders before and after the high-firing procedure to determine the effects of high-firing on chemical, physical, and thermal properties and to determine the efficacy of the high-firing process.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2022

Performance Leap of Lithium Metal Batteries in LiPF 6 Carbonate Electrolyte by a Phosphorus Pentoxide Acid Scavenger

Phosphorus pentoxide (P 2 O 5 ) is investigated as an acid scavenger to remove the acidic impurities in a commercial lithium hexafluorophosphate (LiPF 6 ) carbonate electrolyte to improve the electrochemical properties of Li metal batteries. Nuclear magnetic resonance (NMR) measurements reveal the detailed reaction mechanisms of P 2 O 5 with the LiPF 6 electrolyte and its impurities, which removes hydrogen fluoride (HF) and difluor-ophosphoric acid (HPO 2 F 2 ) and produces phosphorus oxyfluoride (POF 3 ), OF 2 P-O-PF 5 - anions, and ethyl difluorophosphate (C 2 H 5 OPOF 2 ) as new electrolyte species. The P 2 O 5 -modified LiPF 6 electrolyte is chemically compatible with a Li metal anode and LiNi 0.6 Mn 0.2 Co 0.2 O 2 (NMC622) cathode, generating a PO x F y -rich solid electrolyte interphase (SEI) that leads to highly reversible Li electrodeposition, while eliminating transition metal dissolution and cathode particle cracking. The excellent electrochemical properties of the P 2 O 5 -modified LiPF6 electrolytes are demonstrated on Li||NMC622 pouch cells with 0.4 Ah capacity, 50 mu m Li anode, 3 mAh cm -2 NMC622 cathode, and 3 g Ah -1 electrolyte/capacity ratio. The pouch cells can be galvanostatically cycled at C/3 for 230 cycles with 87.7% retention.

25 ENERGY STORAGE↗
DOE OSTI2021

Simulated aging processes of black carbon and its impact during a severe winter haze event in the Beijing-Tianjin- Hebei region

Black carbon (BC) can mitigate or worsen air pollution through perturbing meteorological conditions. BC aging processes are important for the evolution of particle size, concentration, and optical properties of BC that determines its influence on the meteorology. Here we use the online coupled Weather Research and Forecasting-Chemistry (WRF-Chem) model to quantify the role of BC aging processes, including physical processes (PP) and absorption enhancements (AE), in exerting BC-induced meteorological changes and the associated feedback to PM2.5 (particulate matter less than 2.5 µm in diameter) and O3 concentrations during a severe haze event in Beijing-Tianjin-Hebei (BTH) region during 21-27 February 2014. Our results show that, compared to the simulation without the PP treatment, the simulated near-surface BC concentration and BC mass loading in BTH region is lowered by 6.6 % and 12.1 %, respectively, during the haze event with the PP included. PP increases the proportion of large-size BC (particle diameter greater than 0.312 µm) from 28 %-33 % to 59 %-64 % below 1000 m in BTH region. Both PP and AE enhance the “dome effect” of BC. With both PP and AE considered, a reduction in PBL height due to BC-PBL interaction is 116.3 m (20.7 %), compared to 75.7 m (13.5 %) without AE and 66.6 m (11.9 %) without both PP and AE. However, during this haze event, anomalous northeasterly winds are produced by the direct radiative effect of BC, which further affects the mixing and transport of aerosols. When PBL height is decreased (from 10:00 to 21:00), combining all the impacts on multiple meteorological factors, BC effect without PP and AE, without AE, and with PP and AE, respectively, increases surface concentrations of PM2.5 by 8.3 µg m-3 (6.1 % relative to the mean value), 6.1 µg m-3 (4.5 %) and 9.6 µg m-3 (7.0 %) but decreases surface O3 concentrations by 2.8 ppbv (7.4 %), 4.0 ppbv (9.0 %) and 5.0 ppbv (10.8 %) in BTH region averaged over 21-27 February 2014. Our results highlight the importance of the aging processes and absorption enhancements of BC in simulating weather and air quality.

Chen, Donglin↗