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At least 1,531 records · Page 85

Electronic and Morphological Studies of Conjugated Polymers Incorporating a Disk-Shaped Polycyclic Aromatic Hydrocarbon Unit

As more research findings have shown the correlation between ordering in organic semiconductor thin films and device performance, it is becoming more essential to exercise control of the ordering through structural tuning. Many recent studies have focused on the influence of side chain engineering on polymer packing orientation in thin films. However, the impact of the size and conformation of aromatic surfaces on thin film ordering has not been investigated in great detail. Here we introduce a disk-shaped polycyclic aromatic hydrocarbon building block with a large π surface, namely, thienoazacoronenes (TACs), as a donor monomer for conjugated polymers. Here, a series of medium bandgap conjugated polymers have been synthesized by copolymerizing TAC with electron donating monomers of varying size. The incorporation of the TAC unit in such semiconducting polymers allows a systematic investigation, both experimentally and theoretically, of the relationships between polymer conformation, electronic structure, thin film morphology, and charge transport properties. Field effect transistors based on these polymers have shown good hole mobilities and photoresponses, proving that TAC is a promising building block for high performance optoelectronic materials.

36 MATERIALS SCIENCE↗

Quaternary FeCoNiMn-Based Nanocarbon Electrocatalysts for Bifunctional Oxygen Reduction and Evolution: Promotional Role of Mn Doping in Stabilizing Carbon

The intrinsic instability of carbon largely limits its use for the oxygen reduction reaction (ORR) and oxygen evolution reaction (OER) as a bifunctional catalyst in reversible fuel cells or water electrolyzers. In this paper, we discovered that Mn doping has a promotional role in stabilizing nanocarbon catalysts for the ORR/OER in alkaline media. Stable nanocarbon composites are derived from an inexpensive carbon/nitrogen precursor (i.e., dicyandiamide) and quaternary FeCoNiMn alloy via a template-free carbonization process. In addition to FeCoNiMn metal alloys/oxides, the carbon composites comprise substantial carbon tube forests growing on a thick and dense graphitic substrate. The dense carbon substrate with high degree of graphitization results from Mn doping, while active nitrogen-doped carbon tubes stem from FeCoNi. Catalyst structures and performance are greatly dependent on the doping content of Mn. Various accelerated stress tests (AST) and life tests verify the encouraging ORR/OER stability of the nanocarbon composite catalyst with optimal Mn doping. Extensive characterization before and after ASTs elucidates the mechanism of stability enhancement resulting from Mn doping, which is attributed to (i) hybrid carbon nanostructures with enhanced resistance to oxidation and (ii) the in situ formation of the β-MnO 2 and FeCoNi-based oxides capable of preventing carbon corrosion and promoting activity. Note that the improvement in stability due to Mn doping is accompanied by a slight activity loss due to a decrease in surface area. Finally, this work provides a strategy to stabilize carbon catalysts by appropriately integrating transition metals and engineering carbon structures.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Giant spin-splitting and gap renormalization driven by trions in single-layer WS 2 /h-BN heterostructures

In two-dimensional (2D) semiconducting transition metal dichalcogenides (TMDs), new electronic phenomena such as tunable bandgaps and strongly bound excitons and trions emerge from strong many-body effects, beyond the spin and valley degrees of freedom induced by spin-orbit coupling and by lattice symmetry. Combining single-layer TMDs with other 2D materials in van der Waals heterostructures offers an intriguing means of controlling the electronic properties through these many-body effects, by means of engineered interlayer interactions. Here, we use micro-focused angle-resolved photoemission spectroscopy (microARPES) and in situ surface doping to manipulate the electronic structure of single-layer WS 2 on hexagonal boron nitride (WS 2 /h-BN). Upon electron doping, we observe an unexpected giant renormalization of the spin-orbit splitting of the single-layer WS 2 valence band, from 430 meV to 660 meV, together with a bandgap reduction of at least 325 meV, attributed to the formation of trionic quasiparticles. Furthermore, these findings suggest that the electronic, spintronic and excitonic properties are widely tunable in 2D TMD/h-BN heterostructures, as these are intimately linked to the quasiparticle dynamics of the materials.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Mechanical Response of He-Implanted Amorphous SiOC/Crystalline Fe Nanolaminates

This study investigates the microstructural evolution and mechanical response of sputter-deposited amorphous silicon oxycarbide (SiOC)/crystalline Fe nanolaminates, a single layer SiOC film, and a single layer Fe film subjected to ion implantation at room temperature to obtain a maximum He concentration of 5 at. %. X-ray diffraction and transmission electron microscopy indicated no evidence of implantation-induced phase transformation or layer breakdown in the nanolaminates. Implantation resulted in the formation of He bubbles and an increase in the average size of the Fe grains in the individual Fe layers of the nanolaminates and the single layer Fe film, but the bubble density and grain size were found to be smaller in the former. By reducing the thicknesses of individual layers in the nanolaminates, bubble density and grain size were further decreased. No He bubbles were observed in the SiOC layers of the nanolaminates and the single layer SiOC film. Nanoindentation and scanning probe microscopy revealed an increase in the hardness of both single layer SiOC and Fe films after implantation. For the nanolaminates, changes in hardness were found to depend on the thicknesses of the individual layers, where reducing the layer thickness to 14 nm resulted in mitigation of implantation-induced hardening.

77 NANOSCIENCE AND NANOTECHNOLOGY↗

Strain-controlled thermal conductivity in ferroic twinned films

Large reversible changes of thermal conductivity are induced by mechanical stress, and the corresponding device is a key element for phononics applications. We show that the thermal conductivity k of ferroic twinned thin films can be reversibly controlled by strain. Nonequilibrium molecular dynamics simulations reveal that thermal conductivity decreases linearly with the number of twin boundaries perpendicular to the direction of heat flow. Our demonstration of large and reversible changes in thermal conductivity driven by strain may inspire the design of controllable thermal switches for thermal logic gates and all-solid-state cooling devices.

SURFACES, INTERFACES AND THIN FILMS↗

Open-air direct current plasma jet: Scaling up, uniformity, and cellular control

Atmospheric-pressure plasma jets are commonly used in many fields from medicine to nanotechnology, yet the issue of scaling the discharges up to larger areas without compromising the plasma uniformity remains a major challenge. In this paper, we demonstrate a homogenous cold air plasma glow with a large cross-section generated by a direct current power supply. There is no risk of glow-to-arc transitions, and the plasma glow appears uniform regardless of the gap between the nozzle and the surface being processed. Detailed studies show that both the position of the quartz tube and the gas flow rate can be used to control the plasma properties. Further investigation indicates that the residual charges trapped on the inner surface of the quartz tube may be responsible for the generation of the air plasma plume with a large cross-section. The spatially resolved optical emission spectroscopy reveals that the air plasma plume is uniform as it propagates out of the nozzle. The remarkable improvement of the plasma uniformity is used to improve the bio-compatibility of a glass coverslip over a reasonably large area. This improvement is demonstrated by a much more uniform and effective attachment and proliferation of human embryonic kidney 293 (HEK 293) cells on the plasma-treated surface.

42 ENGINEERING↗

Structured electron beams from nano-engineered cathodes

The ability to engineer cathodes at the nano-scale have open new possibilities such as enhancing quantum eciency via surface-plasmon excitation, forming ultra-low-emittance beams, or producing structured electron beams. In this paper we present numerical investigations of the beam dynamics associated to this class of cathode in the weak- and strong-field regimes.We finally discuss the possible applications of some of the achievable cathode patterns when coupled with other phase space manipulations.

43 PARTICLE ACCELERATORS↗

Analysis of thermocapacitive effects in electric double layers under a size modified mean field theory

Thermodynamics of the electric double layer has received renewed interest for its potential applications in low-grade waste heat harvesting and reversible heating/cooling in supercapacitors. We apply a size-modified mean field theory to analytically capture the influence on the pseudo-Seebeck coefficient S = ∂φ 0 /∂T) σ of different factors, including the electrode potential φ 0 , asymmetry in ion sizes, and ion concentration, under a fixed electrode surface charge σ. The pseudo-Seebeck coefficient is predicted to scale as φ 0 /T at low electrode potentials, but it reaches limiting values when the electrode potential exceeds crossover values due to the steric effect. The qualitative behavior changes substantially, however, when the temperature dependence of the permittivity is taken into account. The pseudo-Seebeck coefficient S is then predicted to scale linearly with φ 0 even at high electrode potentials, significantly over-predicting the experimental values. Lastly, this suggests a strong influence of phenomena not captured in the mean field theory, such as deviation of local effective permittivity from the bulk value, thermally facilitated adsorption or desorption of ions on electrode surfaces, and weakening of ionic associations with temperature.

42 ENGINEERING↗

Squeezing and stick–slip friction behaviors of lubricants in boundary lubrication

The fundamental questions of how lubricant molecules organize into a layered structure under nanometers confinement and what is the interplay between layering and friction are still not well answered in the field of nanotribology. While the phase transition of lubricants during a squeeze-out process under compression is a long-standing controversial debate (i.e., liquid-like to solid-like phase transition versus amorphous glass-like transition), recent different interpretations to the stick–slip friction of lubricants in boundary lubrication present new challenges in this field. Here, we carry out molecular dynamics simulations of a model lubricant film (cyclohexane) confined between molecularly smooth surfaces (mica)––a prototypical model system studied in surface force apparatus or surface force balance experiments. Through fully atomistic simulations, we find that repulsive force between two solid surfaces starts at about seven lubricant layers ( n = 7) and the lubricant film undergoes a sudden liquid-like to solid-like phase transition at n < 6 monolayers thickness. Shear of solidified lubricant films at three- or four-monolayer thickness results in stick–slip friction. The sliding friction simulation shows that instead of shear melting of the film during the slip of the surface, boundary slips at solid–lubricant interfaces happen, while the solidified structure of the lubricant film is well maintained during repeated stick–slip friction cycles. Moreover, no dilation of the lubricant film during the slip is observed, which is surprisingly consistent with recent surface force balance experimental measurements.

42 ENGINEERING↗

Device design and flow scaling for liquid sheet jets

We present a design and experimental study of microfluidic converging nozzles which creates a stable liquid sheet jet. The sheet jets formed by the nozzles can be varied between order 10 μm to submicron thicknesses (a measured minimum thickness of 560 nm). A parametric study of the jet structure was performed here including 51-fold variation of Reynolds number, 20-fold variation of Weber number, 89-fold variation of capillary number, and 12-fold variation of nozzle exit aspect ratio. These studies benefited from variation of working liquids, nozzle geometry, 10-fold variation of flow rate, and 7.1-fold variation of key length scales. Navier-Stokes simulations of internal fluid flow were also performed to identify key physical phenomena. These studies were used to propose and test physical scaling theories for jet thickness, length, and width of the primary sheet. The scaling theories are also informed by classic studies of colliding jets with similar flow structures. For sheet thickness, we present two scaling approaches: one relying on internal fluid flow calculations and the other based solely on nozzle geometry. For sheet length and width, scaling theories are presented based on the nozzle geometry and essential dimensionless flow parameters. The scalings do not require numerical simulation of external flow and exhibit efficient collapse across the parameter space. Together, the fabrication method and scaling theories provide a clear path to the rapid and efficient design of liquid sheet jets.

36 MATERIALS SCIENCE↗

Surface Heater Fabrication Using Micro-Lithography for Transpiration Cooling Heat Transfer Coefficient Measurements

Abstract Transpiration cooling is able to provide more uniform coolant coverage than film cooling to effectively protect the component surface from contacting the hot gas. Due to numerous coolant ejection outlets within a small area at the target surface, the experimental thermo-fluid investigation on transpiration cooling becomes a significant challenge. Two classic methods to investigate film cooling, the steady-state foil heater method and the transient thermography technique, fail for transpiration cooling because the foil heater would block numerous coolant outlets, and the semi-infinite solid conduction model no longer holds for porous plates. In this study, a micro-lithography method to fabricate a silver coil pattern on top of the additively manufactured polymer porous media as the surface heater was proposed. The circuit was deliberately designed to cover the solid surface in a combination of series connection, and parallel connection to ensure the power in each unit cell area at the target surface was identical. With uniform heat flux generation, the steady-state tests were conducted to obtain distributions of a pair of parameters, adiabatic cooling effectiveness, and heat transfer coefficient (HTC). The results showed that the adiabatic cooling effectiveness could reach 0.65 with a blowing ratio lower than 0.5. Meanwhile, the heat transfer coefficient ratio (hf/h0) of transpiration cooling was close to 1 with a small blowing ratio at 0.125. A higher HTC ratio was observed for smaller pitch-to-diameter cases due to more turbulence intensity generated at the target surface.

Engineering↗

An attempt to calibrate and validate a simple ductile failure model against axial-torsion experiments on Al 6061-T651

This report details a work in progress. We have attempted to calibrate and validate a Von Mises plasticity model with the Johnson-Cook failure criterion ( Johnson & Cook , 1985 ) against a set of experiments on various specimens of Al 6061-T651. As will be shown, the effort was not successful, despite considerable attention to detail. When the model was com- pared against axial-torsion experiments on tubes, it over predicted failure by 3 x in tension, and never predicted failure in torsion, even when the tube was twisted by 4 x further than the experiment. While this result is unfortunate, it is not surprising. Ductile failure is not well understood. In future work, we will explore whether more sophisticated material mod- els of plasticity and failure will improve the predictions. Selecting the appropriate advanced material model and interpreting the results of said model are not trivial exercises, so it is worthwhile to fully investigate the behavior of a simple plasticity model before moving on to an anisotropic yield surface or a similarly complicated model.

42 ENGINEERING↗

High-R Walls for New Construction Structural Performance: Wind Pressure Testing

This technical report is focused primarily on laboratory testing that evaluates wind pressure performance characteristics for wall systems constructed with exterior insulating sheathing. This research and test activity will help to facilitate the ongoing use of non-structural sheathing options and provide a more in-depth understanding of how wall system layers perform in response to high wind perturbations normal to the surface.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

Average Surface Mapping Model Calibration L3:THM.DEMO.P17.01

This milestone presents a demonstration of an average surface mapping model that maps single-phase average wall temperatures from STAR-CCM+ to Cobra-TF using a multiplier that is linearly dependent on axial and azimuthal coordinates of the Cobra-TF mesh. The work presented herein lays the foundation for adding greater complexity to the average surface mapping model such as fluid property dependence. This average surface mapping model will be incorporated into the surface mapping model developed by Lindsay Gilkey to map fluctuations from the mean surface temperatures.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

Undulatory Diamond Smoothing of Machine-Part Surfaces

The use of an industrial robot for undulatory diamond smoothing of machine-part surfaces is considered. The design of a robot for diamond smoothing of cylindrical and complex surfaces is described, and an example of an automatic machining line that includes a two-column industrial robot for undulatory smoothing is presented. In tests, the wear resistance of samples subjected to diamond smoothing on a lathe and to undulatory smoothing is compared.

42 ENGINEERING↗