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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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Ion transport properties of mechanically stable symmetric ABCBA pentablock copolymers with quaternary ammonium functionalized midblock
Anion exchange membranes (AEMs) are a promising class of materials for applications that require selective ion transport, such as fuel cells, water purification, and electrolysis devices. Studies of structure–morphology–property relationships of ion-exchange membranes revealed that block copolymers exhibit improved ion conductivity and mechanical properties due to their microphase-separated morphologies with well-defined ionic domains. While most studies focused on symmetric diblock or triblock copolymers, here, the first example of a midblock quaternized pentablock AEM is presented. A symmetric ABCBA pentablock copolymer was functionalized to obtain a midblock brominated polymer. Solution cast films were then quaternized to obtain AEMs with resulting ion exchange capacities (IEC) ranging from 0.4 to 0.9 mmol/g. Despite the relatively low IEC, the polymers were highly conductive (up to 60 mS/cm Br- at 90 °C and 95%RH) with low water absorption (<25 wt %) and maintained adequate mechanical properties in both dry and hydrated conditions. X-ray scattering and transmission electron microscopy (TEM) revealed formation of cylindrical non-ionic domains in a connected ionic phase.
Anomalous chiral transport in heavy ion collisions from Anomalous-Viscous Fluid Dynamics
Chiral anomaly is a fundamental aspect of quantum theories with chiral fermions. How such microscopic anomaly manifests itself in a macroscopic many-body system with chiral fermions, is a highly nontrivial question that has recently attracted significant interest. As it turns out, unusual transport currents can be induced by chiral anomaly under suitable conditions in such systems, with the notable example of the Chiral Magnetic Effect (CME) where a vector current (e.g. electric current) is generated along an external magnetic field. A lot of efforts have been made to search for CME in heavy ion collisions, by measuring the charge separation effect induced by the CME transport. A crucial challenge in such effort, is the quantitative prediction for the CME signal. In this paper, we develop the Anomalous-Viscous Fluid Dynamics (AVFD) framework, which implements the anomalous fluid dynamics to describe the evolution of fermion currents in QGP, on top of the neutral bulk background described by the VISH2+1 hydrodynamic simulations for heavy ion collisions. With this new tool, we quantitatively and systematically investigate the dependence of the CME signal to a series of theoretical inputs and associated uncertainties. With realistic estimates of initial conditions and magnetic field lifetime, the predicted CME signal is quantitatively consistent with measured change separation data in 200GeV Au–Au collisions. Based on analysis of Au–Au collisions, we further make predictions for the CME observable to be measured in the planned isobaric (Ru–Ru v.s. Zr–Zr) collision experiment, which could provide a most decisive test of the CME in heavy ion collisions.
Potential for biocolloid transport of cesium at high ionic strength
In subsurface repositories, active bacterial populations may directly influence the fate and transport of radionuclides including in salt repository systems like the Waste Isolation Pilot Plant in Carlsbad, NM. This research quantified the potential for transport and interaction between Chromohalobacter sp. and Cs in a high ionic strength system (2.6 M NaCl) containing natural minerals. Mini-column experiments showed that Chromohalobacter moved nearly un-retarded under these conditions and that there was neither association of Cs with microbes nor dolomite despite changes in bacterial metabolic phases. Growth batch experiments that monitored the potential uptake of Cs into the microbes confirmed results in column experiments where intracellular uptake of Cs by Chromohalobacter was not observed. These results show that Cs may be highly mobile if released in high ionic strength systems and/or carbonate minerals with negligible inhibition by these microbes.
Utility of Atmospheric Transport Runs Done Backwards in Time for Source Term Estimation
In a general sense, the equations describing transport of an atmospheric contaminant are reversible in time. However, the time reversibility is not perfect. For a source term estimation problem, one atmospheric transport model (ATM) run done backwards in time to represent the influence of a single sample value can yield as much information as hundreds or thousands of forwards ATM runs. Thus, backwards ATM are often used to limit the computational burden of an analysis. A large number of paired ATM runs at 14 release locations were used to explore the agreement between dilution factors for the forward and backwards time directions. Four of the release locations have correlation coefficients between forward and backwards dilution factors greater than 0.9. None of the four have large elevation changes within 100 km of the release location. The two release locations with the lowest correlation coefficients are in mountainous terrain with large elevation differences. Elevation changes have a greater negative influence on the correlations than distance to the sampler or plume transit times. The locations of the releases were estimated using dilution factors from backwards ATM runs. Many of the location estimates are close to the release point, vindicating the general approach of using ATM runs backwards in time. Aggregated over the 14 release points, 26% of the location estimates were within 10 km of the release point, 61% were within 25 km, 80% were within 50 km, and 87% were within 75 km. Most of the remaining 13% (poor matches) occur for two release locations in mountainous terrain. Good time-reversibility cannot be guaranteed for a new analysis, so we recommend that any source term solution using backwards ATM runs should include comparisons based on forward ATM runs. As an example, calculations show good agreement between dilutions in different time-directions for samples taken after the announced nuclear test by the Democratic People’s Republic of Korea in 2013.
Heat transfer enhancement in a lithium-ion cell through improved material-level thermal transport
We report that while Li-ion cells offer excellent electrochemical performance for several applications including electric vehicles, they also exhibit poor thermal transport characteristics, resulting in reduced performance, overheating and thermal runaway. Inadequate heat removal from Li-ion cells originates from poor thermal conductivity within the cell. This paper identifies the rate-limiting material-level process that dominates overall thermal conduction in a Li-ion cell. Results indicate that thermal characteristics of a Li-ion cell are largely dominated by heat transfer across the cathode-separator interface rather than heat transfer through the materials themselves. This interfacial thermal resistance contributes around 88% of total thermal resistance in the cell. Measured value of interfacial resistance is close to that obtained from theoretical models that account for weak adhesion and large acoustic mismatch between cathode and separator. Further, to address this problem, an amine-based chemical bridging of the interface is carried out. This is shown to result in in four-times lower interfacial thermal resistance without deterioration in electrochemical performance, thereby increasing effective thermal conductivity by three-fold. This improvement is expected to reduce peak temperature rise during operation by 60%. Finally, by identifying and addressing the material-level root cause of poor thermal transport in Li-ion cells, this work may contribute towards improved thermal performance of Li-ion cells.
FVCOM-plume – A Three-dimensional Lagrangian Outfall Plume Dilution and Transport Model for Dynamic Tidal Environments: Model Development
Although numerous steady-state effluent plume dilution models are in use, their application in tidal environments remains a challenge. Three-dimensional dynamic circulation models are also inadequate, often due to the lack of required resolution and simplifying assumptions. To overcome these limitations, we present FVCOM-plume—an outfall plume dilution and transport model that operates within the Finite Volume Coastal Ocean Model (FVCOM) framework. It provides simultaneous inclusion of near-field dilution and far-field plume transport processes. The near-field is based on UM3 model using Lagrangian Control Volume approach to compute buoyant plume trajectory and dilution from multiport diffusers. The far-field uses neutrally buoyant particles with point masses and the random walk method to solve unsteady advection-diffusion processes. A density kernel approach is used to compute concentrations at point locations and analyze far-field plume characteristics. The results demonstrate the ability of FVCOM-plume to simultaneously capture near-field and far-field effluent plume dynamics in tidal environments.
On the tungsten single crystal coatings achieved by chemical vapor transportation deposition
The tungsten single crystal has many excellent properties, namely a high melting point, high anti-creeping strength. Chemical vapor transportation deposition (CVTD) is a possible approach to achieve large-sized W single crystals for high-temperature application such as the cathode of a thermionic energy converter. In this work, CVTD W coatings were deposited on the monocrystalline molybdenum substrate (a tube with < 111 > axial crystalline orientation) using WCl{sub 6} as a transport medium. The microstructures of the coatings were investigated by a scanning electron microscope (SEM) and electron backscatter diffraction (EBSD). The as-deposited coatings are hexagonal prisms—rough surfaces perpendicular to < 110 > with alternating hill-like bulges and pits at the side edges of the prisms, and flat surfaces perpendicular to < 112 > with arc-shaped terraces at the side faces. This can be explained by two-dimensional nucleation -mediated lateral growth model. Some parts of the coatings contain hillocks of an exotic morphology (noted as “abnormal growth”). The authors hypothesize that the abnormal growth is likely caused by the defects of the Mo substrate, which facilitate W nucleation sites, cause orientation difference, and may even form boundaries in the coatings. A dislocation density of 10{sup 6} to 10{sup 7} (counts/cm{sup 2}) was revealed by an etch-pit method and synchrotron X-ray diffraction. As the depositing temperature rises, the dislocation density decreases, and no sub-boundaries are found on samples deposited over 1300 °C, as a result of atom diffusion and dislocation climbing. - Highlights: •The varied growth rate causes the different morphologies of different planes. •The W coating is a single crystal when only single hillocks appear. •The (110) plane tends to have the lowest dislocation density. •The dislocation density tends to decrease as the temperature increases.
Macrovoid resolved simulations of transport through HPRO relevant membrane geometries
Modeling the transport properties such as diffusivity and permeability of high pressure reverse osmosis (HPRO) membranes is critical for the selection and manufacture of membranes suitable for operation under high pressure. These properties can be significantly affected by the changes in heterogeneous pore structures due to compaction. Here, the modeling platform presented in this work resolves the two scale porosity in HPRO relevant membranes. A synthetic membrane geometry is constructed based on available experimental visualizations of pore structures. The simulations directly capture the flow channeling that results from a combination of material properties and geometric features of the macrovoids. A parametric study is presented to account for the transition of flow characteristics from a material governed regime to a macrovoid governed regime. Permeability of the membrane is evaluated using the simulation data and compared with an existing model that scales with the square of tortuosity over a range of material properties. The model is found to perform well under a narrow range of tortuosity while deviating from the calculated permeabilities at extreme conditions. The effective permeability of the membrane is found to vary by at least two orders of magnitude between the two flow regimes. It is also observed that tortuosity is a bounded property with its upper limit determined by the macrovoid geometry. Consequently, the tortuosity based correlations fail near a flow regime that is mainly governed by the macrovoids. The modeled permeability can be more than an order of magnitude smaller than the simulation result. A new model based on flux-weighted porosity of a membrane is introduced and its correlation with tortuosity is studied. The model agrees with the simulated data as, in addition to tortuosity, it also accounts for the flux partition within and outside the flow channels. Such correlations enable extending the existing understanding of flow characteristics to enhance predictability of porous media models.
Multiparametric AFM Insights into Electron Transport Mechanisms in Biomemristors
Biomemristors have attracted significant attention due to their applications in biodegradable and flexible electronic devices, and their prospective functions in information storage, neural synapses, and neuromorphic computation. Hence, understanding biomaterials' resistive switching (RS) mechanism is essential to design novel biomemristors with enhanced performance. In the last decade, various atomic force microscopy (AFM) modes, such as Kelvin probe force microscopy (KPFM) and conductive atomic force microscopy (cAFM), in situ/operando visualize the electron transport behaviors within biomemristors at the nanoscale. This review provides a comprehensive discussion of multiparametric AFM techniques to characterize biomemristors and inspire new ideas in developing next-generation consumer electronics. We also summarize the progress of revealing the internal mechanism of biomemristors with functional AFM to visualize and understand the switching behavior. Finally, the opportunities and challenges of further utilizing multiparametric AFM to explore the electron transport mechanisms in biomemristors are presented.
Measurements of electron transport in liquid and gas Xenon using a laser-driven photocathode
Measurements of electron drift properties in liquid and gaseous xenon are reported. The electrons are generated by the photoelectric effect in a semitransparent gold photocathode driven in transmission mode with a pulsed ultraviolet laser. The charges drift and diffuse in a small chamber at various electric fields and a fixed drift distance of 2.0 cm. At an electric field of 0.5 kV/cm, the measured drift velocities and corresponding temperature coefficients respectively are 1.97 ± 0.04 mm/µs and (-0.69 ± 0.05)%/K for liquid xenon, and 1.42 ± 0.03 mm/µs and (+0.11 ± 0.01)%/K for gaseous xenon at 1.5 bar. In addition, we measure longitudinal diffusion coefficients of 25.7±4.6 cm2/s and 149±23 cm2/s, for liquid and gas, respectively. The quantum efficiency of the gold photocathode is studied at the photon energy of 4.73 eV in liquid and gaseous xenon, and vacuum. These charge transport properties and the behavior of photocathodes in a xenon environment are important in designing and calibrating future large scale noble liquid detectors.
Transport from the endoplasmic reticulum to the Golgi in plants: Where are we now?
Not provided.
Projection-operator methods for classical transport in magnetized plasmas. Part 2. Nonlinear response and the Burnett equations [Projection-operator methods for classical transport in magnetized plasmas. Part 1. Nonlinear response and the Burnett equations]
The time-independent projection-operator formalism for the derivation of Burnett equations is extended and considered in the context of multispecies and magnetized plasmas. The procedure provides specific formulas for transport coefficients in terms of two-time correlation functions involving both two and three phase-space points. It is shown how to calculate those correlation functions in the limit of weak coupling. The results are used to demonstrate, with the aid of a particular non-trivial example, that the Chapman–Enskog methodology employed by Catto & Simakov (CS) (Phys. Plasmas, vol. 11, 2004, pp. 90–102) to calculate the contributions to the parallel viscosity driven by temperature gradients is consistent with formulas previously derived from the two-time formalism by Brey (J. Chem. Phys., vol. 79, 1983, pp. 4585–4598). Here, the work serves to unify previous work on plasma kinetic theory with formalism usually applied to turbulence. Additional contributions include discussions of (i) Braginskii-order interspecies momentum exchange from the point of view of two-time correlations; and (ii) a simple stochastic model, unrelated to many-body theory, that exhibits Burnett effects. Insights from that model emphasize the role of non-Gaussian statistics in the evaluation of Burnett transport coefficients, including the effects calculated by CS that stem from the nonlinear collision operator. Together, Parts 1 and 2 of this series provide an introduction to projection-operator methods that should be broadly useful in theoretical plasma physics.
Atomic Scale Account of the Surface Effect on Ionic Transport in Silver Hollandite
Here, nanosized electrodes for Li-ion batteries typically display improved electrochemical properties, which are generally attributed to the reduced dimensionality for lithiation. However, the intriguing roles of surface defects and disorder associated with the nanosized materials are often overlooked. Here, combining atomically resolved structural analysis with density functional theory calculations, we reveal that the formation of intrinsic oxygen vacancies near surface in silver hollandite nanorods modifies the local atomic structure and valence state. These surface reconstructions resulted from oxygen vacancies can significantly affect the diffusion pathways in what are otherwise one-dimensional (1D) tunneled structures. On the basis of energy barrier calculations, we demonstrate that the oxygen vacancies boost ionic transport through the edge sharing MnO 6 polyhedra in the a–b plane. Thus, within a single rod different from the inherent 1D tunnel diffusion in the interior, the ionic transport at oxygen vacancy decorated surfaces likely adopts a three-dimensional diffusion pathway including both tunnel and planar diffusion.
Combined Theoretical and Experimental Investigations of Atomic Doping To Enhance Photon Absorption and Carrier Transport of LaFeO 3 Photocathodes
Perovskite-type lanthanum iron oxide, LaFeO 3 , is a p-type semiconductor that can achieve overall water splitting using visible light while maintaining photostability. These features make LaFeO 3 a promising photocathode candidate for various photoelectrochemical cells. Currently, the photoelectrochemical performance of a LaFeO 3 photocathode is mainly limited by considerable bulk electron-hole recombination. This study reports a combined theoretical and experimental investigation on atomic doping of LaFeO 3 , in particular, substitutional doping of La 3+ with K + , to increase its charge transport properties and decrease electron-hole recombination. The computational results show that K doping enhances not only the charge transport properties but also photon absorption below the bandgap energy of the pristine LaFeO 3 . The effect of K doping was systematically investigated by comparing the electronic and atomic structures, majority carrier density, hole-polaron formation, and optical properties of pristine and K-doped LaFeO 3 . The computational results were then verified by experimentally characterizing the crystal structures, compositions, optical properties, and photoelectrochemical properties of LaFeO 3 and K-doped LaFeO 3 electrodes. For this purpose, pristine LaFeO 3 and K-doped LaFeO 3 were prepared as high-surface-area, high-purity photoelectrodes having the same morphology to accurately and unambiguously evaluate the effect of K doping. Here, the combined computational and experimental investigations presented in this study provide useful insights into the effect of composition tuning of LaFeO 3 and other p-type oxides with a perovskite structure.
Structure–Transport Relationships of Water–Organic Solvent Co-transport in Carbon Molecular Sieve (CMS) Membranes
We explore the effects of the carbon molecular sieve (CMS) microstructure on the separation performance and transport mechanism of water–organic mixtures. Specifically, we utilize PIM-1 dense films and integrally skinned asymmetric hollow fiber membranes as polymer precursors for the CMS materials. The PIM-1 membranes were pyrolyzed under several different pyrolysis atmospheres (argon, carbon dioxide, and diluted hydrogen gas) and at multiple pyrolysis temperatures. Detailed gas physisorption measurements reveal that membranes pyrolyzed under 4% H 2 and CO 2 had broadened ultramicropore distributions (pore diameter <7 Å) compared to Ar pyrolysis, and pyrolysis under CO 2 increased ultramicropore volume and broadened micropore distributions at increased pyrolysis temperatures. Gravimetric water and p-xylene sorption and diffusion measurements reveal that the PIM-1-derived CMS materials are more hydrophilic than other CMS materials that have been previously studied, which leads to sorption-diffusion estimations showing water-selective permeation. Water permeation in the vapor phase, pervaporation, and liquid-phase hydraulic permeation reveal that the isobaric permeation modes (vapor permeation and pervaporation) are reasonably well predicted by the sorption-diffusion model, whereas the hydraulic permeation mode is significantly underpredicted (>250×). Conversely, the permeation of p-xylene is well predicted by the sorption-diffusion model in all cases. The collection of pore size analysis, vapor sorption and diffusion, and permeation in different modalities creates a picture of a combined transport mechanism in which water–under high transmembrane pressures–permeates via a Poiseuille-style mechanism, whereas p-xylene solutes in the mixture permeate via sorption-diffusion.