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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 145 records · Page 8

Melt Processing Pretreatment Effects on Enzymatic Depolymerization of Poly(ethylene terephthalate)

Poly(ethylene terephthalate) (PET) is a common thermoplastic material, used in a wide variety of applications (i.e., bottles, fabrics, packaging, electronics, and automotive components). Increasing demand for PET has precipitated a need for improved recycling technology, especially for single-use PET waste. Recently, enzymatic depolymerization has shown promise as an environmentally responsible alternative for PET chemical recycling that yields economically useful products (e.g., terephthalic acid, adipic acid, and ethylene glycol). However, the depolymerization system still suffers from low rates on crystalline PET substrates, and effects of realistic waste streams are not known. In our work, PET waste is pretreated using an ultra-high-speed twin-screw extruder system. PET substrates were modified by various processing pretreatments to allow enzymes better access to depolymerize substrate materials. The effect of varying throughput and mechanical shear on structural properties of the PET waste was analyzed using molecular weight and thermal characterizations. These pretreated samples exhibit modifications in molecular weight, glass transition temperature, crystallinity, and specific surface area. The unpurified leaf-branch compost cutinase enzyme produced from the fed-batch fermentation of Escherichia coli BL21(DE3) was used in enzymatic depolymerization, where a faster reaction was observed as crystallinity was decreased and the specific surface area was increased. The rate of terephthalic acid production was also significantly higher for samples processed at lower mechanical shear with higher throughputs. As a result, this work demonstrates the potential for tailoring pretreatments in pursuit of faster and more energy efficient PET recycling using enzymes, with facile adaptation to the industrial scale for the circular economy.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Effects of groundwater pumping on ground surface temperature: A regional modeling study in the North China Plain

Over-exploitation of groundwater (GW) in the North China Plain (NCP) since the 1960s has many environmental consequences. However, understanding of the dominant mechanisms remains limited, particularly at regional scale. In this study, the coupled ParFlow.CLM model representing subsurface and land-surface processes and their interactions was applied in the NCP at high spatio-temporal resolutions. The model was validated using the water and energy fluxes reported in previous studies and from the JRA-55 reanalysis. Numerical experiments were designed to examine the relative impacts of GW pumping and irrigation on the ground surface temperature (GST). Results show significant effects of GW pumping on GST in the NCP. Generally, the subsurface acts as a buffer to temporal variations in heat fluxes at the land-surface, but long-term pumping can gradually weaken this buffer, resulting in increases in the spatio-temporal variability of GST, as exemplified by hotter summers and colder winters. Considering that changes of water table depth (WTD) can significantly affect land surface heat fluxes when WTD ranges roughly between 0.01–10 m, the 0.5 m/year increase of WTD simulated by the model due to pumping can continue to increase the average WTD and hence, disturb GST, for about 20 years from the pre-pumping WTD in the NCP, before the WTD exceeds 10 m. The variations of GST are expected to be faster initially and gradually slow down due to the nonlinear behaviors of GST with WTD. The findings from this study in the NCP may also have implications for other regions with GW depletion.

Yang, Chen↗

Uncertainties in turbulent statistics and fluxes of CO2 associated with density effect corrections

Density effect corrections (DEC) are applied to adjust raw CO2 fluxes measured by eddy covariance (EC) systems with open-path gas analyzers. DEC is also required for adjusting the measured CO2 concentration fluctuations to obtain the adjusted CO2 for analyzing turbulent statistics or quantifying fluxes. However, our data show that the power spectra of the DEC-adjusted CO2 are distorted in the high frequency range, as compared with the corresponding spectra of temperature and water vapor density. This contradicts the similarity behavior of scalars, as suggested by Monin-Obukhov similarity theory. It is demonstrated that such a distortion is caused by the DEC-induced spikes in the DEC-adjusted CO2, altering turbulent statistics of CO2 and scalar similarity between CO2 and other scalars. Our results suggest that CO2 fluxes are overestimated by applying DEC especially under high Bowen ratio conditions, potentially leading to substantial uncertainties in long-term ecosystem carbon exchange in dry regions.

Gao, Zhongming↗

Effects of organized convection parameterization on the MJO and precipitation in E3SMv1. Part I: Mesoscale heating

Mesoscale organization of convection is typically not represented in global circulation models, and hence its influence on the global circulation is not accounted for. The heating component of a parameterization that represents the dynamical and physical effects of circulations associated with organized convection, referred to as the multiscale coherent structure parameterization (MCSP), is implemented in the Energy Exascale Earth System Model version 1 (E3SMv1). Numerical simulations are conducted to assess its impact on the simulated climate. Besides E3SMv1 simulations, we performed high-resolution (1 km) simulations using the Weather Research and Forecasting (WRF) Model to determine the temperature tendencies induced by mesoscale convective systems embedded in deep convection. We tuned the free parameters of the MCSP based on the WRF simulations. MCSP heating enhances Kevin wave spectra in E3SMv1, improves the representation of the Madden-Julian Oscillation, and impacts on mean precipitation that vary with locations and seasons, including a reduction of biases over the tropical Pacific.

Climate Modeling↗

Large intrinsic anomalous Hall effect in SrIrO 3 induced by magnetic proximity effect

The anomalous Hall effect (AHE) is an intriguing transport phenomenon occurring typically in ferromagnets as a consequence of broken time reversal symmetry and spin-orbit interaction. It can be caused by two microscopically distinct mechanisms, namely, by skew or side-jump scattering due to chiral features of the disorder scattering, or by an intrinsic contribution directly linked to the topological properties of the Bloch states. Here we show that the AHE can be artificially engineered in materials in which it is originally absent by combining the effects of symmetry breaking, spin orbit interaction and proximity-induced magnetism. In particular, we find a strikingly large AHE that emerges at the interface between a ferromagnetic manganite (La 0.7 Sr 0.3 MnO 3 ) and a semimetallic iridate (SrIrO 3 ). It is intrinsic and originates in the proximity-induced magnetism present in the narrow bands of strong spin-orbit coupling material SrIrO 3 , which yields values of anomalous Hall conductivity and Hall angle as high as those observed in bulk transition-metal ferromagnets. These results demonstrate the interplay between correlated electron physics and topological phenomena at interfaces between 3d ferromagnets and strong spin-orbit coupling 5d oxides and trace an exciting path towards future topological spintronics at oxide interfaces.

36 MATERIALS SCIENCE↗

Synergistic effect of polyaniline on stabilizing Pt nanoparticles in PEMFCs†

The stability of Pt nanoparticles on a carbon support is crucial for the lifespan of polymer electrolyte membrane fuel cells as well as other electrocatalysis systems such as electrolyzers. Here we took the approach of utilizing the covalently grafted polyaniline on carbon to stabilize Pt nanoparticles by simultaneously alleviating the particle migration and mitigating the Ostwald ripening, which are two major mechanisms for loss of the catalyst stability. A comprehensive investigation of the stability and performance of Pt catalyst nanoparticles on these supports reveals that the polyaniline can shift the Pt L edge binding energy and the Pt 4f peak energy, leading to the increased redox potential of the Pt nanoparticles and making them more resistant to oxidation. Interestingly, the highest polyaniline density (50 wt%) does not show the best catalyst stability, rather, the second (33 wt%) demonstrates the best catalyst stability among these catalysts. Combining the XPS, XAS and fuel cell stability studies, we concluded that the locations of the Pt nanoparticles over the polyaniline layer on the carbon surface depend on the surface density of the polyaniline over the carbon surface. The Pt nanoparticles in the 50 wt% polyaniline catalyst are wrapped by the polyaniline polymer but do not sit directly on the carbon surface, while Pt nanoparticles in the 33 wt% polyaniline catalyst sit on the carbon surface and are densely surrounded by the polyaniline polymer. The results show that the mass activity loss is 12.5% while the ECSA (electrochemically active surface area) loss is 37.1% after 30k cycles of accelerating stress test for the 33 wt% polyaniline catalyst, far exceeding the DOE 2020 target for MEA (i.e., mass activity loss < 50%, and ECSA loss < 40%). Overall, the polyaniline has a synergistic effect on mitigating the surface migration and slowing down the Ostwald ripening to stabilize the Pt nanoparticles in fuel cells. The novel strategy to stabilize Pt nanoparticles using polyaniline opens a new pathway in the development of highly stable catalysts: relying on the functionalization group on the carbon support, instead of just focusing on the catalyst itself.

Li, Chenzhao↗

Self-interaction-corrected Kohn–Sham effective potentials using the density-consistent effective potential method

Density functional theory (DFT) and beyond-DFT methods are often used in combination with photoelectron spectroscopy to obtain physical insights into the electronic structure of molecules and solids. The Kohn–Sham eigenvalues are not electron removal energies except for the highest occupied orbital. The eigenvalues of the highest occupied molecular orbitals often underestimate the electron removal or ionization energies due to the self-interaction (SI) errors in approximate density functionals. Here, we adapt and implement the density-consistent effective potential method of Kohut, Ryabinkin, and Staroverov (2014) to obtain SI-corrected local effective potentials from the SI-corrected Fermi–Löwdin orbitals and density in the Fermi–Löwdin orbital self-interaction correction scheme. The implementation is used to obtain the density of states (photoelectron spectra) and HOMO–LUMO gaps for a set of molecules and polyacenes. Good agreement with experimental values is obtained compared to a range of SI uncorrected density functional approximations.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Pair Invariant Mass to Isolate Background in the Search for the Chiral Magnetic Effect in Au+Au Collisions at √sNN = 200 GeV

Quark interactions with topological gluon configurations can induce local chirality imbalance and parity violation in quantum chromodynamics, which can lead to the chiral magnetic effect (CME)-an electric charge separation along the strong magnetic field in relativistic heavy-ion collisions. The CME-sensitive azimuthal correlator observable (Delta gamma) is contaminated by background arising, in part, from resonance decays coupled with elliptic anisotropy (v(2)). We report here differential measurements of the correlator as a function of the pair invariant mass (m(inv)) in 20-50% centrality Au + Au collisions at root s(NN) = 200 GeV by the STAR experiment at the BNL Relativistic Heavy Ion Collider. Strong resonance background contributions to Delta gamma. are observed. At large m(inv) where this background is significantly reduced, the Delta gamma. value is found to be significantly smaller. An event-shape-engineering technique is deployed to determine the v(2) background shape as a function of m(inv). We extract a v(2)-independent and m(inv)-averaged signal Delta gamma(sig) = (0.03 +/- 0.06 +/- 0.08) x 10(-4), or (2 +/- 4 +/- 5)% of the inclusive Delta gamma (m(inv) > 0.4 GeV/c(2)) = (1.58 +/- 0.02 +/- 0.02) x 10(-4), within pion p(T) = 0.2-0.8 GeV/c and averaged over pseudorapidity ranges of -1 < eta < -0.05 and 0.05 < eta < 1. This represents an upper limit of 0.23 x 10(-4), or 15% of the inclusive result, at 95% confidence level for the m(inv)-integrated CME contribution.

Adam, J.↗

Cross-correlation of Dark Energy Survey Year 3 lensing data with ACT and Planck thermal Sunyaev-Zel’dovich effect observations. I. Measurements, systematics tests, and feedback model constraints

Here we present a tomographic measurement of the cross-correlation between thermal Sunyaev-Zel’dovich (TSZ) maps from Planck and the Atacama Cosmology Telescope and weak galaxy lensing shears measured during the first three years of observations of the Dark Energy Survey. This correlation is sensitive to the thermal energy in baryons over a wide redshift range and is therefore a powerful probe of astrophysical feedback. We detect the correlation at a statistical significance of 21σ, the highest significance to date. We examine the TSZ maps for potential contaminants, including cosmic infrared background and radio sources, finding that cosmic infrared background has a substantial impact on our measurements and must be taken into account in our analysis. We use the cross-correlation measurements to test different feedback models. In particular, we model the TSZ using several different pressure profile models calibrated against hydrodynamical simulations. Our analysis marginalizes over redshift uncertainties, shear calibration biases, and intrinsic alignment effects. We also marginalize over Ω m and σ 8 using Planck or DES priors. We find that the data prefer the model with a low amplitude of the pressure profile at small scales, compatible with a scenario with strong active galactic nuclei feedback and ejection of gas from the inner part of the halos. When using a more flexible model for the shear profile, constraints are weaker, and the data cannot discriminate between different baryonic prescriptions.

79 ASTRONOMY AND ASTROPHYSICS↗

Effects of Encapsulant Properties on the Thermo-Mechanical Reliability of Double-Side Cooled Power Modules for Traction Inverters

Double-side cooled power modules are being developed for next-generation traction inverters due to their better heat extraction, lower profile, and lower parasitic inductances. However, due to their rigid structure, they cause reliability concerns arising from high thermo-mechanical stresses at the interconnection joints in the module. In this work, a materials-based approach using rigid encapsulants is presented for reducing thermo-mechanical fatigue. Finite-element thermo- mechanical simulations were performed to examine the effects of the elastic modulus and coefficient of thermal expansion of epoxy- based encapsulants on the bond deformation inside a double-side cooled power module. It was found that a rigid encapsulant with a high modulus of 6.0 GPa or above and a coefficient of thermal expansion around 20 ppm/oC would improve the thermo- mechanical reliability of double-side cooled power modules by decreasing the permanent bond deformation inside the modules by 50-60%.

ADVANCED PROPULSION SYSTEMS↗

Testing effects of invasive fire ants and disturbance on ant communities of the longleaf pine ecosystem

Invasive species and habitat disturbance are among the most important drivers of biodiversity loss and ecological change. Their individual effects, however, are difficult to disentangle because invasion and disturbance are often intimately linked. Here we test alternative hypotheses to determine if the invasive red imported fire ant, Solenopsis invicta, is a ‘driver’ or simply a ‘passenger’ of ecological change in a longleaf pine ecosystem. We randomly assigned treatments of (1) unmanipulated, (2) soil disturbance, (3) fire ant removal and (4) soil disturbance + fire ant removal to experimental blocks and measured how ant communities changed over 2 years in thirty-six 15-m 2 plots. Additionally, fire ant abundance in removal plots averaged 42% lower in pitfall traps and 95% lower on baits compared to unmanipulated, control plots. Species richness of co-occurring ants also decreased 42% in removal plots, with significant changes in community composition. Soil disturbance alone did not affect ant communities. Fire ant diet breadth—measured using carbon and nitrogen stable isotopes—increased up to 4.7-fold in soil disturbance + removal plots (i.e. 0.84‰ 2 to 3.94‰ 2 ). While non-target impacts of the fire ant removal treatment complicate interpretation, our results suggest fire ants follow an alternative ‘interacting drivers’ model in which partial recovery of some species occurs when populations of an invasive species are reduced. Further recovery of native ants may be limited by persisting, landscape-level effects of fire ants suppressing co-occurring ants below historical levels.

60 APPLIED LIFE SCIENCES↗

Effects of processing conditions on flash sintering of commercial ZrN

Flash sintering (FS) is a potentially rapid and low-cost manufacturing technique for advanced ceramics. There are still many unknowns about ceramic FS, especially for highly conductive high-temperature ceramics (HTC), which often display decreased bulk conductivity with increasing temperature. This study qualitatively characterizes the flash behavior of highly conductive HTC materials using zirconium nitride (ZrN) as an example. The effects of processing parameters (e.g., DC voltage/electrical field strength, voltage ramp rate, post-flash holding time, mechanical pressure, sample milling, and choice of electrode materials) on ZrN flash behavior are also qualitatively studied and linked to samples microstructure and hardness. It is observed that best densification was achieved using 5 min Spex-milled ZrN powder under 25 MPa of applied pressure and constant 8 V DC. The potential mechanism for ZrN FS and the similarity and difference from FS of conventional oxides like YSZ have been proposed based on experimental observations, and the directions for future research are also pointed out.

Flash Sintering↗

High-temperature quantum valley Hall effect with quantized resistance and a topological switch

Edge states of a topological insulator can be used to explore fundamental science emerging at the interface of low dimensionality and topology. Achieving a robust conductance quantization, however, has proven challenging for helical edge states. In this work, we show wide resistance plateaus in kink states—a manifestation of the quantum valley Hall effect in Bernal bilayer graphene—quantized to the predicted value at zero magnetic field. The plateau resistance has a very weak temperature dependence up to 50 kelvin and is flat within a dc bias window of tens of millivolts. We demonstrate the electrical operation of a topology-controlled switch with an on/off ratio of 200. These results demonstrate the robustness and tunability of the kink states and its promise in constructing electron quantum optics devices.

Science & Technology - Other Topics↗