Uncertainty-Informed Deep Transfer Learning of Perfluoroalkyl and Polyfluoroalkyl Substance Toxicity
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37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
SEARCH · Engineering Papers
Results for “physical layer”
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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Parameter-Fitting-Free Continuum Modeling of Electric Double Layer in Aqueous Electrolyte
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37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
Straintronic Effect on Phonon-Mediated Superconductivity of Nb 2 CT 2 (T = O, S, Se, or Te) MXenes
Here, the electronic structures, phonon dispersions, and electron–phonon coupling of Nb 2 CT 2 (T = O, S, Se, or Te) MXenes were investigated via first-principles calculations. Different models of Nb 2 CT 2 were constructed, and the results show that the low-energy models of Nb 2 CT 2 are intrinsic phonon-mediated superconductors. Of the four Nb 2 CT 2 MXenes, Nb 2 CO 2 MXene exhibits the largest superconducting critical temperature ($T_c$) of 14.43 K. The existence of soft modes induced by Kohn anomalies and the contribution of Nb atoms to the Fermi level lead to strong electron–phonon coupling (λ = 0.92) in Nb 2 CO 2 MXene. The $T_c$ of Nb 2 CO 2 is further enhanced by biaxial tensile strain and reaches up to 18.28 K under 4% tensile strain. The predicted $T_c$ of Nb 2 CS 2 is 4.5 K, which is comparable with experimental data. These findings will further stimulate the search for superconducting MXenes.
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
Ion-Mediated Structural Discontinuities in Phospholipid Vesicles
Not Available
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
Structural and Dynamical Roles of Bound Polymer Chains in Rubber Reinforcement
The addition of nanofillers to rubber matrices is a powerful route to improve the mechanical properties. Here, we focus on a molecular understanding of basic mechanisms that are important for the reinforcement in rubbers. The key role in this process is ascribed to bound rubber (BR) that engages with the matrix as well as with adjacent nanofillers. To date, this understanding has been impeded by the lack of experimental tools to directly probe the BR chains buried in a polymer matrix composed of the same polymer. To tackle this challenge, we combine neutron scattering/spectroscopy techniques with isotope-labeling and molecular dynamics simulations. The system is a simplified carbon-black-filled polybutadiene. The combined experimental and computational results provide new insights into the local structural and dynamical heterogeneities of BR chains and their interactions with the matrix polymer, highlighting (i) the structural partition of the bound chains into three components (i.e., trains, loops, and tails) and their fractions; (ii) their dynamical hierarchies, i.e., the trains that remain immobile on the filler surface, the loops that are fairly large and hence allow the interdigitation of matrix chains, and the tails with their unique characteristics to reach far out into the matrix and entangle with matrix chains. These multiple roles of the constituent components of the BR chains promote the formation of a well-developed adhesive polymer–filler interface, enhancing the elastic property of a filled rubber. Finally, the comprehensive understanding derived and validated by the model rubber will be translatable to many other polymer nanocomposites.
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
Crossover from Conventional to Unconventional Superconductivity in 2M-WS 2
Leveraging the reciprocal-space proximity effect between superconducting bulk and topological surface states (TSSs) offers a promising way to topological superconductivity. However, elucidating the mutual influence of bulk and TSSs on topological superconductivity remains a challenge. Here, we report pioneering transport evidence of a thickness-dependent transition from conventional to unconventional superconductivity in 2M-phase WS 2 (2M-WS 2 ). As the sample thickness reduces, we see clear changes in key superconducting metrics, including critical temperature, critical current, and carrier density. Notably, while thick 2M-WS 2 samples show conventional superconductivity, with an in-plane (IP) upper critical field constrained by the Pauli limit, samples under 20 nm exhibit a pronounced IP critical field enhancement, inversely correlated with 2D carrier density. This marks a distinct crossover to unconventional superconductivity with strong spin-orbit-parity coupling. Furthermore, our findings underscore the crucial role of sample thickness in accessing topological states in 2D topological superconductors, offering pivotal insights into future studies of topological superconductivity.
2D topological superconductor↗
Investigation of the Microstructure and Rheology of Iridium Oxide Catalyst Inks for Low-Temperature Polymer Electrolyte Membrane Water Electrolyzers
Here, we present an investigation of the structure and rheological behavior of catalyst inks for low-temperature polymer electrolyte membrane water electrolyzers. The ink consists of iridium oxide (IrO 2 ) catalyst particles and a Nafion ionomer dispersed in a mixture of 1-propanol and water. The effects of ionomer concentration and catalyst concentration on the microstructure of the catalyst ink were studied. Studies on dilute inks (0.1 wt % IrO 2 ) using zeta potential and dynamic light scattering measurements indicated a strong adsorption of the ionomer onto the catalyst particles which resulted in an increase in the ..zeta..-potential and the z-average diameter. Steady-shear and dynamic-oscillatory-shear rheological measurements of concentrated IrO 2 dispersions (35 wt % IrO 2 ) indicated that the particles are strongly agglomerated in the absence of the ionomer. The addition of even a small amount of the ionomer (2.4 wt % with respect to total solids) caused the rheology to transition from shear thinning to Newtonian because of the reduction in agglomerated structure due to stabilization of the aggregates by the ionomer, consistent with the behavior of dilute inks. At intermediate ionomer loadings, between 2.4 and 9 wt %, the viscosity increased with increasing ionomer wt %, though remained Newtonian, predominantly due to the increasing ionomer volume fraction in the ink. For ionomer loadings greater than 9 wt %, the particles were found to be flocculated, likely induced by a dispersed ionomer. The flocculated inks exhibited strong shear-thinning and gel-like behaviors in steady-shear and oscillatory-shear rheology. The onset of flocculation was found to be sensitive to the catalyst concentration, where below 35 wt % of IrO 2 , flocculation was not observed. The rheological observations were further verified by ultra-small-angle X-ray scattering.
36 MATERIALS SCIENCE↗
Analysis of Near-Wall Pebble Bed Thermal Conductivity for Energy Applications
Not Available
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
Spatially Resolved Near Field Spectroscopy of Vibrational Polaritons at the Small N Limit
Not Available
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
Twisted moiré photonic crystal enabled optical vortex generation through bound states in the continuum
The twisted stacking of two layered crystals has led to the emerging moiré physics as well as intriguing chiral phenomena such as chiral phonon and photon generation. In this work, we identified and theoretically formulated a non-trivial twist-enabled coupling mechanism in twisted bilayer photonic crystal (TBPC), which connects the bound state in the continuum (BIC) mode to the free space through the twist-enabled channel. Moreover, the radiation from TBPC hosts an optical vortex in the far field with both odd and even topological orders. We quantitatively analyzed the twist-enabled coupling between the BIC mode and other non-local modes in the photonic crystals, giving rise to radiation carrying orbital angular momentum. The optical vortex generation is robust against geometric disturbance, making TBPC a promising platform for well-defined vortex generation. As a result, TBPCs not only provide a new approach to manipulating the angular momentum of photons, but may also enable novel applications in integrated optical information processing and optical tweezers. Our work broadens the field of moiré photonics and paves the way toward the novel application of moiré physics.
42 ENGINEERING↗
CFD Prediction for Spin Rate of Fixed Canards on a Spinning Projectile
A computational study performed for spin rate of fixed cancards on a spinning projectile is presented in this paper. The cancards configurations provide challenges in terms of the determination of the aerodynamic forces and moments and the flow field changes which could have significant effect on the stability, performance, and corrected round accuracy. Advanced time accurate Navier-Stokes computations have been performed to compute the spin rate associated with the spinning motion of the cancards configurations at supersonic speed. The results show that roll-damping moment of cancards varies linearly with the spin rate at supersonic velocity.
71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
Rotation of tokamak halo currents
During tokamak disruptions, halo currents, which can be tenths of the total plasma current, can flow at the plasma edge along the magnetic field lines that intercept the chamber walls. Non-axisymmetric halo currents are required to maintain force balance as the plasma kinks when the edge safety factor drops to about two in a vertical displacement event. The plasma quickly assumes a definite toroidal velocity v{sub a}(r) with respect to that of the magnetic kink, v{sub k}, where v{sub a}(r) is set by the radial electric field required for ambipolarity. The plasma velocity, v{sub pl}=v{sub a}+v{sub k}, near the edge is influenced by the interaction with neutrals and with the potential in the halo required for quasi-neutrality on open magnetic field lines, and the plasma velocity in the core is influenced by external error fields. When plasma effects dominate magnetic locking, the magnetic kink should rotate at a diamagnetic speed of either the edge or the core. If the magnetic field lines of the halo plasma intercept the wall at locations of very different electrical conductivity, the toroidal rotation of the halo currents can intermittently stall at wall locations of high conductivity. Such stalling is seen in experiments. The toroidal phase difference between the stalled halo currents and the kink, which is expected to rotate smoothly, must satisfy {delta}{phi}<{+-}{pi}/2. A concern cited by ITER engineers is that the time varying force of the rotating halo could substantially increase the disruption loads on in-vessel components.
71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
Enhanced radiation tolerance in nitride multilayered nanofilms with small period-thicknesses
This paper demonstrates a substantial enhancement in radiation tolerance for small period-thickness of CrN/AlTiN multilayered nanofilms. CrN/AlTiN multilayered nanofilms with period-thicknesses of 3, 5, 7, and 9 nm were irradiated by 190 keV Ar{sup +} ions to fluences ranging from 1 to 5 Multiplication-Sign 10{sup 16} ions/cm{sup 2}. Nanofilm with 3 nm period-thickness begins to be amorphized under 5 Multiplication-Sign 10{sup 16} ions/cm{sup 2}, while those with larger period-thicknesses are amorphized under 3 Multiplication-Sign 10{sup 16} ions/cm{sup 2}. Our results show that multilayered ceramic nanofilms are potential radiation tolerant materials with good properties. The interfaces in the multilayered nanofilms act as good sinks to absorb the radiation-induced defects.
77 NANOSCIENCE AND NANOTECHNOLOGY↗
Free boundary ballooning mode representation
A new type of ballooning mode invariance is found in this paper. Application of this invariance is shown to be able to reduce the two-dimensional problem of free boundary high n modes, such as the peeling-ballooning modes, to a one-dimensional problem. Here, n is toroidal mode number. In contrast to the conventional ballooning representation, which requires the translational invariance of the Fourier components of the perturbations, the new invariance reflects that the independent solutions of the high n mode equations are translationally invariant from one radial interval surrounding a single singular surface to the other intervals. The conventional ballooning mode invariance breaks down at the vicinity of plasma edge, since the Fourier components with rational surfaces in vacuum region are completely different from those with rational surfaces in plasma region. But, the new type of invariance remains valid. This overcomes the limitation of the conventional ballooning mode representation for studying free boundary modes.
70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
Direct observation of grain growth from molten silicon formed by micro-thermal-plasma-jet irradiation
Phase transformation of amorphous-silicon during millisecond annealing using micro-thermal-plasma-jet irradiation was directly observed using a high-speed camera with microsecond time resolution. An oval-shaped molten-silicon region adjacent to the solid phase crystallization region was clearly observed, followed by lateral large grain growth perpendicular to a liquid-solid interface. Furthermore, leading wave crystallization (LWC), which showed intermittent explosive crystallization, was discovered in front of the moving molten region. The growth mechanism of LWC has been investigated on the basis of numerical simulation implementing explosive movement of a thin liquid layer driven by released latent heat diffusion in a lateral direction.
36 MATERIALS SCIENCE↗
Si film separation obtained by high energy proton implantation
High energy protons implantation in the 1-1.5 MeV range can be used to detach free-standing thin silicon films with thickness between 15 and 30 {mu}m. Recently, we showed that Si orientation has a strong effect on the layer separation threshold fluence and efficiency. While complete delamination of (111)Si films is achieved, (100)Si films separation is more challenging due to blistering phenomena or partial separation of the implanted layer. In this work, we study the fracture mechanism in (100) and (111)Si after high energy implantation in order to understand the origin of such a behavior. We notably point out that fracture precursor defects, i.e. the platelets, preferentially form on (111) planes, as a consequence of the low strain level in the damaged region in our implantation conditions. Fracture therefore propagates easily in (111)Si, while it requires higher fluence to overcome unfavorable precursors orientation and propagate in (100)Si.
36 MATERIALS SCIENCE↗
Radiation damage in heteroepitaxial BaTiO{sub 3} thin films on SrTiO{sub 3} under Ne ion irradiation
The microstructure evolution of heteroepitaxial BaTiO{sub 3} (BTO) thin films grown on single crystal (001) SrTiO{sub 3} (STO) under Ne irradiation at room temperature was systematically investigated with special attention given to the behavior at the BTO/STO interface. Cross sectional transmission electron microscope investigations reveal that amorphization occurs at the top BTO film region. BTO grains in the dimensions of 10-20 nm survived the irradiation damage and maintained their original crystal orientation. Other irradiation-induced defects such as dislocation loops and defect clusters were observed only at the portion of the BTO thin film near the interface, but not at the STO side of the bilayer. Atomic calculations find that the energetics of defects are very similar on each side of the BTO/STO interface, suggesting that the interface will not significantly modify radiation damage evolution in this system, in agreement with the experimental observations. These results support the hypothesis we presented in previous work about the role of coherent interfaces on radiation damage evolution.
36 MATERIALS SCIENCE↗