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At least 127 records · Page 7

Molecular aspect ratio effect on axial thermal transport in solution-spun carbon nanotube fibers

Neat, densely packed, and highly aligned carbon nanotube fibers (CNTFs) have appealing room-temperature axial thermal conductivity (⁠k⁠) and thermal diffusivity (⁠α⁠) for applications in lightweight heat spreading, flexible thermal connections, and thermoelectric active cooling. Although CNTFs are regularly produced from different input carbon nanotubes (CNTs), prior work has not quantified how the CNT molecular aspect ratio r (i.e., molecular length-to-diameter ratio) influences k and in well-aligned, packed CNTFs. Here, we perform self-heated steady-state and three-omega thermal measurements at room temperature on CNTF suspended in vacuum. Our results show that k increases from 150 to 380 W / mK for viscosity-averaged molecular aspect ratios increasing from r = 960 to 5600 and nanotube diameters of ~2 nm, which we attribute to the effects of thermal resistances between CNT bundles. CNTFs made with varying volume fraction Φ of constituent high-r and low-r CNT have properties that fall within or below the typical macroscopic rule-of-mixtures bounds. The thermal diffusivity α scales with k, leading to a sample-averaged volumetric heat capacity of 1.5 ± 0.3 MJ / m 3 K⁠. This work's findings that fibers made from longer CNT have larger k and α at room temperature motivate further investigation into thermal transport in solution-spun CNTF.

42 ENGINEERING↗

The importance of accounting for the Tolman correction to surface tension for nucleation and growth modeling of Fe clusters

Gibbs free energies of clusters are required for predictive modeling of cluster growth during condensation of a cooling vapor. Here, we present a straightforward method of calculating free energies of cluster formation using the data from molecular dynamics (MD) simulations. We apply this method to iron clusters having from 2 to 100 atoms. The energies obtained are verified by comparing to an MD-simulated equilibrium cluster size distribution in a sub-saturated vapor. We show that these free energies differ significantly from those obtained with a commonly used spherical cluster approximation, which relies on a surface tension coefficient of a flat surface, as it is used in the classical nucleation theory (CNT). We show that the spherical cluster approximation in CNT can be improved by using a cluster-size-dependent Tolman correction for the surface tension. The Tolman length and effective surface tension values were derived for iron clusters, and they significantly differ from the commonly used experimentally measured values. This improved approximation does not account for geometric magic number effects responsible for spikes and troughs in densities of neighbor cluster sizes. Nonetheless, it allows to more accurately model cluster formation from a cooling vapor. It better reproduces the condensation timeline, overall shape of the cluster size distribution, average cluster size, and the distribution width. In contrast, using a constant surface tension coefficient (as done in CNT) resulted in incorrect condensation dynamics and cluster size distributions. The analytical expression for cluster nucleation rate from CNT was updated to account for the size-dependence of cluster surface tension.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

A Review of Inkjet Printed Graphene and Carbon Nanotubes Based Gas Sensors

Graphene and carbon nanotube (CNT)-based gas/vapor sensors have gained much traction for numerous applications over the last decade due to their excellent sensing performance at ambient conditions. Inkjet printing various forms of graphene (reduced graphene oxide or modified graphene) and CNT (single-wall nanotubes (SWNTs) or multiwall nanotubes (MWNTs)) nanomaterials allows fabrication onto flexible substrates which enable gas sensing applications in flexible electronics. This review focuses on their recent developments and provides an overview of the state-of-the-art in inkjet printing of graphene and CNT based sensors targeting gases, such as NO 2 , Cl 2 , CO 2 , NH 3 , and organic vapors. Moreover, this review presents the current enhancements and challenges of printing CNT and graphene-based gas/vapor sensors, the role of defects, and advanced printing techniques using these nanomaterials, while highlighting challenges in reliability and reproducibility. The future potential and outlook of this rapidly growing research are analyzed as well.

flexible electronics↗

Long-term variability in immersion-mode marine ice-nucleating particles from climate model simulations and observations

Abstract. Ice-nucleating particles (INPs) in the Southern Ocean (SO) atmosphere have significant impacts on cloud radiative and microphysical properties. Yet, INP prediction skill in climate models remains poorly understood, in part because of the lack of long-term measurements. Here we show, for the first time, how model-simulated INP concentrations compare with year-round INP measurements during the Macquarie Island Cloud Radiation Experiment (MICRE) campaign from 2017–2018. We simulate immersion-mode INP concentrations using the Energy Exascale Earth System Model version 1 (E3SMv1) by combining simulated aerosols with recently developed deterministic INP parameterizations and the native classical nucleation theory (CNT) for mineral dust in E3SMv1. Because MICRE did not collect aerosol measurements of super-micron particles, which are more effective ice nucleators, we evaluate the model's aerosol fields at other high-latitude sites using long-term in situ observations of dust and sea spray aerosol. We find that the model underestimates dust and overestimates sea spray aerosol concentrations by 1 to 2 orders of magnitude for most of the high-latitude sites in the Southern Hemisphere. We next compare predicted INP concentrations with concentrations of INPs collected on filter samples (typically for 2 or 3 d) and processed offline using the Colorado State University ice spectrometer (IS) in immersion freezing mode. We find that when deterministic parameterizations for both dust and sea spray INPs are used, simulated INPs are within a factor of 10 of observed INPs more than 60 % of the time during summer. Our results also indicate that the E3SM's current treatment of mineral dust immersion freezing in the SO is impacted by compensating biases – an underprediction of dust amount was compensated by an overprediction of its effectiveness as INPs. We also perform idealized droplet freezing experiments to quantify the implications of the time-dependent behavior assumed by the E3SM's CNT-parameterization and compare with the ice spectrometer observations. We find that the E3SM CNT 10 s diagnostic used in this study is a reasonable approximation of the exact formulation of CNT, when applied to ice spectrometer measurements in low-INP conditions similar to Macquarie Island. However, the linearized 10 s diagnostic underestimates the exact formula by an order of magnitude or more in places with high-INP conditions like the Sahara. Overall, our findings suggest that it is important to correct the biases in E3SM's simulated dust life cycle and update E3SM's INP parameterizations. INP prediction errors of 2 to 3 orders of magnitude can have considerable impacts on the simulated cloud and radiative properties in global climate models. On comparing INP concentrations during MICRE against ship-based campaigns, Measurements of Aerosols, Radiation, and Clouds over the Southern Ocean (MARCUS) and Antarctic Circumnavigation Expedition (ACE), we find that INPs from the latter are significantly higher only in regions closer to Macquarie Island. This alludes to the fact that physical, chemical and biological processes affecting INP concentrations as stimulated by the island could be partly responsible for the high INP concentrations observed at Macquarie Island during the MICRE campaign. Therefore, improvements to both aerosol simulation and INP parameterizations are required to adequately simulate INPs and their cloud impacts in E3SM. It will be helpful to include a parallel measurement of the size-resolved aerosol composition and explore opportunities for long-term measurement platforms in future field campaigns studying INP sources in remote marine regions.

54 ENVIRONMENTAL SCIENCES↗

Modeling Ballistic Current Flow in Carbon Nanotube Wires

Experiments have shown carbon nanotubes (CNT) to be almost perfect conductors at small applied biases. The features of the CNT band structure, large velocity of the crossing subbands and the small number of modes that an electron close to the band center / Fermi energy can scatter into, are the reasons for the near perfect small bias conductance. We show that the CNT band structure does not help at large applied biases - electrons injected into the non crossing subbands can either be Bragg reflected or undergo Zener-type tunneling. This limits the current carrying capacity of CNT. We point out that the current carrying capacity of semiconductor quantum wires in the ballistic limit is different, owing to its band structure. The second aspect addressed is the relationship of nanotube chirality in determining the physics of metal-nanotube coupling. We show that a metallic-zigzag nanotube couples better than an armchair nanotube to a metal contact. This arises because in the case of armchair nanotubes, while the pi band couples well, the pi* band does not couple well to the metal. In the case of zigzag nanotube both crossing modes couple reasonably well to the metal. Many factors such as the role of curvature, strain and defects will play a role in determining the suitability of nanotubes as nanowires. From the limited view point of metal-nanotube coupling, we feel that metallic-zigzag nanotubes are preferable to armchair nanotubes.

Anantram, M. P.↗

Carbon Nanotubes in Water: MD Simulations of Internal and External Flow, Self Organization

We have developed computational tools, based on particle codes, for molecular dynamics (MD) simulation of carbon nanotubes (CNT) in aqueous environments. The interaction of CNTs with water is envisioned as a prototype for the design of engineering nano-devices, such as artificial sterocillia and molecular biosensors. Large scale simulations involving thousands of water molecules are possible due to our efficient parallel MD code that takes long range electrostatic interactions into account. Since CNTs can be considered as rolled up sheets of graphite, we expect the CNT-water interaction to be similar to the interaction of graphite with water. However, there are fundamental differences between considering graphite and CNTs, since the curvature of CNTs affects their chemical activity and also since capillary effects play an important role for both dynamic and static behaviour of materials inside CNTs. In recent studies Gordillo and Marti described the hydrogen bond structure as well as time dependent properties of water confined in CNTs. We are presenting results from the development of force fields describing the interaction of CNTs and water based on ab-initio quantum mechanical calculations. Furthermore, our results include both water flows external to CNTs and the behaviour of water nanodroplets inside heated CNTs. In the first case (external flows) the hydrophobic behaviour of CNTs is quantified and we analyze structural properties of water in the vicinity of CNTs with diagnostics such as hydrogen bond distribution, water dipole orientation and radial distribution functions. The presence of water leads to attractive forces between CNTs as a result of their hydrophobicity. Through extensive simulations we quantify these attractive forces in terms of the number and separation of the CNT. Results of our simulations involving arrays of CNTs indicate that these exhibit a hydrophobic behaviour that leads to self-organising structures capable of trapping water clusters. In the second case (internal flows) we study the behaviour of water droplets confined inside CNTs. Constant temperature simulations allow us to capture structural properties such as the contact angles and density profiles of the equilibrated drops. By heating and subsequently cooling of the CNT, we are able to measure the evaporation and the condensation rate of the entrapped water.

Jaffe, Richard L.↗

Mechanics of Nanotubes and Nanotube-Polymer Composites

CNT is a tubular form of carbon with diameter as small as 1 nm. Length: few nm to microns. CNT is configurationally equivalent to a two dimensional graphene sheet rolled into a tube. CNT exhibits extraordinary mechanical properties: Young's modulus over 1 Tera Pascal, as stiff as diamond, and tensile strength approx. 200 GPa. CNT can be metallic or semiconducting, depending on chirality.

Srivastava, Deepak↗

Identification of Complex Carbon Nanotube Structures

A variety of complex carbon nanotube (CNT) structures have been observed experimentally. These include sharp bends, branches, tori, and helices. They are believed to be formed by using topological defects such as pentagons and heptagons to connect different CNT. The effects of type, number, and arrangement (separation and orientation) of defects on atomic structures and energetics of complex CNT are investigated using topology, quantum mechanics and molecular mechanics calculations. Energetically stable models are derived for identification of observed complex CNT structures.

Han, Jie↗

Modeling of Carbon Nanotube Schottky Barrier Modulation Due to Oxidation

A model is proposed for the experimentally observed lower Schottky barrier for holes in air than in vacuum at a metallic electrode - semiconducting carbon nanotube (CNT) junction. In oxidation occurring in air, the negatively charged oxygen molecules on a material usually enhance the surface dipole and provide stronger electron confinement within the bulk. Thus the CNT electron affinity will increase in air. Then the Schottky barrier for holes will have to increase according to the standard band-alignment theory, but this is against the experiment. In order to overcome this difficulty, we propose a new Schottky barrier model, assuming there is a transition region between the electrode and the CNT and an appreciable potential can drop there. The role of the oxidation is to increase this potential drop with negatively charged oxygen molecules, leading to a lower Schottky barrier for holes. This mechanism prevails for both p- and n-CNTs. The model consistently explains all the reported CNT device experiments.

Yamada, Toshishige↗

Design and Characterization of Carbon Nanotube Nanocomposites

Revolutionary design concepts in future aerospace vehicles will depend on extraordinary material properties to permit significant reduction of mass and size of components, while imparting intelligence. Due to their combination of remarkable electrical and mechanical properties, carbon nanotubes (CNT) are expected to enable this paradigm shift in design concepts. However, significant challenges still exist in translating these CNT properties into the macrostructures required for future generations of aerospace vehicles. While an accepted route for making the leap from nanostructures to useful macrostructures has not been fully charted, this paper will give an overview of the approach taken by some researchers at NASA Langley Research Center to sort out issues involved in the development of CNT nanocomposites for multifunctional structures. Specifically, the dispersion of carbon nanotubes in polymer matrices, characterization of nanocomposites, the role of quantum computation in providing guidance for processing and the use of computational analysis in data interpretation will be covered. Significant improvements in mechanical and electrical properties of CNT nanocomposites with very low loadings of CNTs are described and lend credence to the potential for using CNTs in achieving technological leaps in composite development.

Siochi, Emilie J.↗

Multi-Scale Simulations of Carbon Nanotubes: Mechanics and Electronics

Carbon Nanotube (CNT) is a tubular form of carbon with diameter as small as 1 nm. Length: few mn to microns. CNT is configurationally equivalent to a two dimensional graphene sheet rolled into a tube. CNT exhibits extraordinary mechanical properties; Young's modulus over 1 Tera Pascal, as stiff as diamond, and tensile strength approx. 200 GPa. CNT can be metallic or semiconducting, depending on chirality.

Srivastava, Deepak↗

Carbon Nanotube Purification

A method for cleaning or otherwise removing amorphous carbon and other residues that arise in growth of a carbon nanotube (CNT) array. The CNT array is exposed to a plurality of hydroxyls or hydrogen, produced from a selected vapor or liquid source such as H2O or H2O2. and the hydroxyls or hydrogen (neutral or electrically charged) react with the residues to produce partly or fully dissolved or hydrogenated or hydroxylizated products that can be removed or separated from the CNT array. The hydroxyls or hydrogen can be produced by heating the CNT array, residue and selected vapor or liquid source or by application of an electromagnetic excitation signal with a selected frequency or range of frequencies to dissociate the selected vapor or liquid. The excitation frequency can be chirped to cover a selected range of frequencies corresponding to dissociation of the selected vapor or liquid. Sonication may be uscd to supplement dissociation of the H2O and/or H2O2.

Delzeit, Lance D.↗

Towards Multifunctional Characteristics of Embedded Structures With Carbon Nanotube Yarns

This paper presents recent results on research of achieving multifunctional structures utilizing Carbon Nanotube (CNT) yarns. The investigation centers on creating composite structures with CNT yarns to simultaneously achieve increases in mechanical strength and the ability to sense strain. The CNT yarns used in our experiments are of the single-ply and two-ply variety with the single-ply yarns having diameters on the order of 10-20 m. The yarns are embedded in silicon rubber and polyurethane test specimens. Mechanical tests show an increase in modulus of elasticity, with an additional weight increase of far less than one-percent. Sensing characteristics of the yarns are investigated on stainless steel test beams in an electrical bridge configuration, and are observed to have a strain sensitivity of 0.7mV/V/1000 micro-strain. Also reported are measurements of the average strain distribution along the direction of the CNT yarns on square silicon rubber membranes.

Hernandez, Corey D.↗

Increased Alignment in Carbon Nanotube Growth

Method and system for fabricating an array of two or more carbon nanotube (CNT) structures on a coated substrate surface, the structures having substantially the same orientation with respect to a substrate surface. A single electrode, having an associated voltage source with a selected voltage, is connected to a substrate surface after the substrate is coated and before growth of the CNT structures, for a selected voltage application time interval. The CNT structures are then grown on a coated substrate surface with the desired orientation. Optionally, the electrode can be disconnected before the CNT structures are grown.

Delzeit, Lance D.↗

New Materials for Structural Composites and Protective Coatings

The objective of this Phase I project was to create novel conductive materials that are lightweight and strong enough for multiple ground support equipment and Exploration applications. The long-term goal is to combine these materials within specially designed devices to create composites or coatings with diagnostic capabilities, increased strength, and tunable properties such as transparency, electroluminescence, and fire resistance. One such technology application is a smart windows system. In such a system, the transmission of light through a window is controlled by electrical power. In the future, these materials may also be able to absorb sunlight and convert it into electrical energy to produce light, thereby creating a self-sufficient lighting system. This experiment, conducted in collaboration with the Georgia Institute of Technology, demonstrated enhancements in fabricating fiber materials from carbon nanotubes (CNT). These nanotubes were grown as forests in an ultra-high-purity chemical vapor deposition (CVD) furnace and then drawn, using novel processing techniques, into fibers and yarns that would be turned into filaments. This work was submitted to the Journal of Advanced Functional Materials. The CNT fibers were initially tested as filament materials at atmospheric pressure; however, even under high current loads, the filaments produced only random sparking. The CNT fibers were also converted into transparent, hydrophobic, and conductive sheets. Filament testing at low vacuum pressures is in progress, and the technology will be enhanced in 2008. As initial proof of the smart-windows application concept, the use of CNT sheets as composites/ protective coatings was demonstrated in collaboration with Nanocomp Technologies of Concord, New Hampshire.

Source record↗

Controlled Deposition and Alignment of Carbon Nanotubes

A carbon nanotube (CNT) attraction material is deposited on a substrate in the gap region between two electrodes on the . substrate. An electric potential is applied to the two electrodes. The CNT attraction material is wetted with a solution defined by a carver liquid having carbon nanotubes (CNTs) suspended therein. A portion of the CNTs align with the electric field and adhere to The CNT attraction material. The carrier liquid and any CNTs not adhered to the CNT attraction material are then removed.

Smits, Jan M.↗

Fully Printed High-Frequency Phased-Array Antenna on Flexible Substrate

To address the issues of flexible electronics needed for surface-to-surface, surface-to-orbit, and back-to-Earth communications necessary for manned exploration of the Moon, Mars, and beyond, a room-temperature printing process has been developed to create active, phased-array antennas (PAAs) on a flexible Kapton substrate. Field effect transistors (FETs) based on carbon nanotubes (CNTs), with many unique physical properties, were successfully proven feasible for phased-array antenna systems. The carrier mobility of an individual CNT is estimated to be at least 100,000 sq cm/V(dot)s. The CNT network in solution has carrier mobility as high as 46,770 sq cm/V(dot)s, and has a large current-density carrying capacity of approx. 1,000 mA/sq cm , which corresponds to a high carrying power of over 2,000 mW/ sq cm. Such high carrier mobility, and large current carrying capacity, allows the achievement of high-speed (>100 GHz), high-power, flexible electronic circuits that can be monolithically integrated on NASA s active phasedarray antennas for various applications, such as pressurized rovers, pressurized habitats, and spacesuits, as well as for locating beacon towers for lunar surface navigation, which will likely be performed at S-band and attached to a mobile astronaut. A fully printed 2-bit 2-element phasedarray antenna (PAA) working at 5.6 GHz, incorporating the CNT FETs as phase shifters, is demonstrated. The PAA is printed out at room temperature on 100-mm thick Kapton substrate. Four CNT FETs are printed together with microstrip time delay lines to function as a 2-bit phase shifter. The FET switch exhibits a switching speed of 0.2 ns, and works well for a 5.6-GHz RF signal. The operating frequency is measured to be 5.6 GHz, versus the state-of-the-art flexible FET operating frequency of 52 MHz. The source-drain current density is measured to be over 1,000 mA/sq cm, while the conventional organic FETs, and single carbon nanotube-based FETs, are typically in the mA to mA/sq cm range. The switching voltage used is 1.8 V, while the state-of-the-art flexible FET has a gate voltage around 50 V. The gate voltage can effectively control the source-drain current with an ON-OFF ratio of over 1,000 obtained at a low Vds bias of 1.8 V. The azimuth steering angles of PAA are measured at 0deg, -14.5deg, -30deg, and 48.6deg. The measured far-field patterns agree well with simulation results. The efficiency of the 2-bit 2-element PAA is measured to be 39 percent, including the loss of transmission line, FET switch, and coupling loss of RF probes. With further optimization, the efficiency is expected to be around 50-60 percent.

Chen, Yihong↗

Selective functionalization of carbon nanotubes based upon distance traveled

Method and system for functionalizing a collection of carbon nanotubes (CNTs). A selected precursor gas (e.g., H.sub.2 or NH.sub.3 or NF.sub.3 or F.sub.2 or CF.sub.4 or C.sub.nH.sub.m) is irradiated to provide a cold plasma of selected target particles, such as atomic H or F, in a first chamber. The target particles are directed toward an array of CNTs located in a second chamber while suppressing transport of ultraviolet radiation to the second chamber. A CNT array is functionalized with the target particles, at or below room temperature, to a point of saturation, in an exposure time interval no longer than about 30 sec. The predominant species that are deposited on the CNT array vary with the distance d measured along a path from the precursor gas to the CNT array; two or three different predominant species can be deposited on a CNT array for distances d=d1 and d=d2>d1 and d=d3>d2.

Khare, Bishun N.↗