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At least 955 records · Page 53

An artificial intelligence’s interpretation of complex high-resolution in situ transmission electron microscopy data

Complicated nano- and atomic-scale processes with sub-angstrom spatial resolution and millisecond time resolution visualized by in situ transmission electron microscopy (TEM) are often highly dynamical and time consuming to analyze and interpret. Here, we report how variational autoencoders (VAEs) can provide an artificial intelligence’s interpretation of high-resolution in situ TEM data by condensing and deconvoluting complicated atomic-scale dynamics into a latent space with reduced dimensionality. We designed a VAE model with high latent dimensions capable of deconvoluting information from complex high-resolution TEM data. We demonstrate how this model, with high latent dimensions trained on atomically resolved TEM images of lead sulfide (PbS) nanocrystals, is able to capture movements and perturbations of periodic lattices in both simulated and real in situ TEM data. Importantly, the VAE model shows the capability of detecting and deconvoluting dynamical nanoscale physical processes, such as the rotation of crystal lattices and intra-particle ripening during the annealing of semiconductor nanocrystals.

47 OTHER INSTRUMENTATION↗

Predictability of Seawater DMS During the North Atlantic Aerosol and Marine Ecosystem Study (NAAMES)

This work presents an overview of a unique set of surface ocean dimethylsulfide (DMS) measurements from four shipboard field campaigns conducted during the North Atlantic Aerosol and Marine Ecosystem Study (NAAMES) project. Variations in surface seawater DMS are discussed in relation to biological and physical observations. Results are considered at a range of timescales (seasons to days) and spatial scales (regional to sub-mesoscale). Elevated DMS concentrations are generally associated with greater biological productivity, although chlorophyll a (Chl) only explains a small fraction of the DMS variability (15%). Physical factors that determine the location of oceanic temperature fronts and depth of vertical mixing have an important influence on seawater DMS concentrations during all seasons. The interplay of biomass and physics influences DMS concentrations at regional/seasonal scales and at smaller spatial and shorter temporal scales. Seawater DMS measurements are compared with the global seawater DMS climatology and predictions made using a recently published algorithm and by a neural network model. The climatology is successful at capturing the seasonal progression in average seawater DMS, but does not reproduce the shorter spatial/temporal scale variability. The input terms common to the algorithm and neural network approaches are biological (Chl) and physical (mixed layer depth, photosynthetically active radiation, seawater temperature). Both models predict the seasonal North Atlantic average seawater DMS trends better than the climatology. However, DMS concentrations tend to be under-predicted and the episodic occurrence of higher DMS concentrations is poorly predicted. The choice of climatological seawater DMS product makes a substantial impact on the estimated DMS flux into the North Atlantic atmosphere. These results suggest that additional input terms are needed to improve the predictive capability of current state-of-the-art approaches to estimating seawater DMS.

54 ENVIRONMENTAL SCIENCES↗

Space Power Free-Piston Stirling Engine Scaling Study

The design feasibility study is documented of a single cylinder, free piston Stirling engine/linear alternator (FPSE/LA) power module generating 150 kW-electric (kW sub e), and the determination of the module's maximum feasible power level. The power module configuration was specified to be a single cylinder (single piston, single displacer) FPSE/LA, with tuning capacitors if required. The design requirements were as follows: (1) Maximum electrical power output; (2) Power module thermal efficiency equal to or greater than 20 percent at a specific mass of 5 to 8 kg/kW(sub e); (3) Heater wall temperature/cooler wall temperature = 1050 K/525 K; (4) Sodium heat-pipe heat transport system, pumped loop NaK (sodium-potassium eutectic mixture) rejection system; (5) Maximum power module vibration amplitude = 0.0038 cm; and (6) Design life = 7 years (60,000 hr). The results show that a single cylinder FPSE/LA is capable of meeting program goals and has attractive scaling attributes over the power range from 25 to 150 kW(sub e). Scaling beyond the 150 kW(sub e) power level, the power module efficiency falls and the power module specific mass reaches 10 kg/kW(sub e) at a power output of 500 kW(sub e). A discussion of scaling rules for the engine, alternator, and heat transport systems is presented, along with a detailed description of the conceptual design of a 150 kW(sub e) power module that meets the requirements. Included is a discussion of the design of a dynamic balance system. A parametric study of power module performance conducted over the power output range of 25 to 150 kW(sub e) for temperature ratios of 1.7, 2.0, 2.5, and 3.0 is presented and discussed. The results show that as the temperature ratio decreases, the efficiency falls and specific mass increases. At a temperature ratio of 1.7, the 150 kW(sub e) power module cannot satisfy both efficiency and specific mass goals. As the power level increases from 25 to 150 kW(sub e) at a fixed temperature ratio, power module efficiency is seen to increase slightly, but at the expense of increased specific mass. An empirical equation relating power module thermal efficiency as a function of power module specific mass, power output, and temperature ratio is developed. Alternative configurations to the single cylinder, direct coupled linear alternator approach are also evaluated, but are shown to have technical drawbacks that lessen their attractiveness. The dynamic balance assembly mass (moving mass and structure) represents 20 to 30 percent of the total single cylinder power module mass. Joining two modules in a balanced opposed configuration eliminates the need for the balancer, and a hot end junction can be made without significant addition of structural mass. Recommendations are made for evaluation of advanced heat pipe concepts, tests of radial flow heat exchangers, and evaluation of high temperature alternator materials.

Jones, D.↗

A Simple Theory of Capillary-Gravity Wave Turbulence

Employing a recently proposed 'multi-wave interaction' theory, inertial spectra of capillary gravity waves are derived. This case is characterized by a rather high degree of nonlinearity and a complicated dispersion law. The absence of scale invariance makes this and some other problems of wave turbulence (e.g., nonlinear inertia gravity waves) intractable by small-perturbation techniques, even in the weak-turbulence limit. The analytical solution obtained in the present work for an arbitrary degree of nonlinearity is shown to be in reasonable agreement with experimental data. The theory explains the dependence of the wave spectrum on wind input and describes the accelerated roll-off of the spectral density function in the narrow sub-range separating scale-invariant regimes of purely gravity and capillary waves, while the appropriate (long- and short-wave) limits yield power laws corresponding to the Zakharov-Filonenko and Phillips spectra.

Glazman, Roman E.↗

Non-destructive depth-resolved characterization of residual strain fields in high electron mobility transistors using differential aperture x-ray microscopy

Localized residual stress and elastic strain concentrations in microelectronic devices often affect the electronic performance, resistance to thermomechanical damage, and, likely, radiation tolerance. A primary challenge for the characterization of these concentrations is that they exist over sub-μm length-scales, precluding their characterization by more traditional residual stress measurement techniques. Here, in this study, we demonstrate the use of synchrotron x-ray-based differential aperture x-ray microscopy (DAXM) as a viable, non-destructive means to characterize these stress and strain concentrations in a depth-resolved manner. DAXM is used to map two-dimensional strain fields between the source and the drain in a gallium nitride (GaN) layer within high electron mobility transistors (HEMTs) with sub-μm spatial resolution. Strain fields at various positions in both pristine and irradiated HEMT specimens are presented in addition to a preliminary stress analysis to estimate the distribution of various stress components within the GaN layer. γ-irradiation is found to significantly reduce the lattice plane spacing in the GaN along the sample normal direction, which is attributed to radiation damage in transistor components bonded to the GaN during irradiation.

42 ENGINEERING↗

Mesoscale atomic engineering in a crystal lattice

Controlling individual atoms using lasers, ion traps and scanning probe tips has transformed our understanding of matter and enabled breakthroughs in quantum science. Extending this control into three-dimensional (3D) solids and across mesoscopic scales, however, remains a foundational challenge. Electron irradiation in electron microscopes is known to induce atomic displacements, and atomic manipulation has been proposed and demonstrated. Yet repeated and deterministic control has remained elusive. Here, in this study, we demonstrate deterministic atomic engineering in a 3D crystal, creating ordered arrangements of more than 40,000 user-defined defects within minutes across a 150 nm × 100 nm × 13 nm volume. By steering individual Cr atoms in the magnetic semiconductor CrSBr into selected interstitial sites using an electron beam directed with sub-20-pm-scale accuracy, we create vacancy–interstitial complexes. The resulting impurity array forms a mesoscale crystal embedded within the host lattice, a new form of engineered artificial matter that remains stable at room temperature and outside the microscope. By tracking Cr atom displacements, we identify conditions under which the defect structures are predictable. Our calculations suggest that these defects form correlated impurity states with intra-defect optical transitions and inter-defect kinetic and Coulomb interactions. This establishes a generalizable platform for atomic defect engineering at mesoscopic, and potentially macroscopic, scales, opening opportunities for scalable quantum technologies, including deterministic colour-centre placement, quantum simulation of many-body lattice models and atomic-scale manufacturing.

74 ATOMIC AND MOLECULAR PHYSICS↗

The Chemical Composition and Gas-to-Dust Mass Ratio of Nearby Interstellar Matter

We use recent results on interstellar gas toward nearby stars and interstellar by-products within the solar system to select among the equilibrium radiative transfer models of the nearest interstellar material presented in Slavin & Frisch. For the assumption that O/H - 400 parts per million, models 2 and 8 are found to yield good fits to available data on interstellar material inside and outside of the heliosphere, with the exception of the Ne abundance in the pickup ion and anomalous cosmic-ray populations. For these models, the interstellar medium (ISM) at the entry point to the heliosphere has n(H(sup 0)) = 0.202-0.208/cu cm, n(He(sup 0) = 0.0137-0.0152/cu cm, and ionizations X(H) = 0.29-0.30, X(He) = 0.47-0.51. These best models suggest that the chemical composition of the nearby ISM is approx.60%-70% subsolar if S is undepleted. Both H(0) and H(+) need to be included when evaluating abundances of ions found in warm diffuse clouds. Models 2 and 8 yield an H filtration factor of approx.0.46. Gas-to-dust mass ratios for the ISM toward epsilon CMa are R(sub gd) = 178-183 for solar abundances of Holweger or R(sub gd) = 611-657 for an interstellar abundance standard 70% solar. Direct observations of dust grains in the solar system by Ulysses and Galileo yield R(sub gd) appr0x. 115 for models 2 and 8, supporting earlier results (Frisch and coworkers). If the local ISM abundances are subsolar, then gas and dust are decoupled over small spatial scales. The inferred variation in R(sub gd) over parsec length scales is consistent with the fact that the ISM near the Sun is part of a dynamically active cluster of cloudlets flowing away from the Sco-Cen association. Observations toward stars within approx.500 pc show that R(sub gd) correlates with the percentage of the dust mass that is carried by iron, suggesting that an Fe-rich grain core (by mass) remains after grain destruction. Evidently large dust grains (>10(exp -13) g) and small dust grains (<10(exp -13) g) are not well mixed over parsec length spatial scales in the ISM. It also appears that very small C-dominated dust grains have been destroyed in the ISM within several parsecs of the Sun, since C appears to be essentially undepleted. However, if gas-dust coupling breaks down over the cloud lifetime, the missing mass arguments applied here to determine R(sub gd) and dust grain mineralogy are not appropriate.

Frisch, Priscilla C.↗

Structural Requirements and Scaling Analysis of a Fluidic Mirror Space Telescope Support Structure

The NASA FLUTE project proposes large-scale (50m) fluidic telescopes for astronomy applications. To continue to explore the universe, astronomers require larger and larger telescope apertures. The highest priority astrophysics targets such as exoplanets and early galaxies are extremely faint, motivating larger telescope apertures. However, mission costs depend on aperture diameter, and scaling apertures beyond 10-m apertures faces economic and technological viability challenges. An unsegmented primary mirror made in space via fluidic microgravity shaping would provide a scalable and cost-effective method to scale apertures to 50-m scale while achieving sub-nanometer (root mean square) surface quality. Such microgravity fluidic shaping has been demonstrated in laboratory neutral buoyance environments, parabolic microgravity experiments, as well aboard the International Space Station. One of the main components of a fluidic observatory is the mirror frame. The frame must provide a stable bounding circular ring which the edges of the fluid mirror surface can wet. The frame can optionally provide a ‘floor’ surface on the interior of the ring to provide additional fluid support and reduce required fluid volume. In this work, we evaluate several classes of structural frame architectures potentially suitable for a fluidic telescope support structure. We start by estimating stability requirements, orbital, station keeping, and slew loads based on a notional CONOPS. The scaling of overall fluid mass required for each architecture is evaluated. Preliminary results elucidate the importance of a support floor for overall mission viability above 10-m diameter. We then investigate the scaling of a tetrahedral truss frame support structure. We show that segmented solid shell support surfaces can provide sufficient stability at modest mass fractions. We estimate that the total fluid and frame mass for a 50-m telescope could be on the order of 15,000 kg. Finally, implementation considerations are discussed, including deployment/assembly methodologies. The results of this study establish feasibility of a large-scale fluidic telescope and will guide further architecture development and detailed structural design.

Christine Gregg↗

Global large scale structures in the F region

Measurements of neutral densities, temperatures and ion density and temperature by the Atmosphere Explorer C and E satellites exhibit fluctuations made up of coherent waves of scale size from hundreds to thousands of kilometers. The fluctuations in the AE-C data are found at times of low magnetic activity to extend from the auroral region in one hemisphere across the equator to the corresponding region in the other hemisphere with little change in apparent wavelength. The fluctuations in the AE-E data similarly exhibit at times of low magnetic activity nearly uniform wave structure encircling the equatorial belt. Typical examples of waves of more than 1000 km apparent wavelength in both the AE-C and AE-E data are presented. These observations during quiet times may be explained by a system of quasi-stationary waves excited by the auroral belts that are distributed about the Earth possibly with tidal or sub-tidal periods and scale lengths determined by the structure of the belts. According to this interpretation, Traveling Ionospheric Disturbance (TID's) are manifestations of transient wave systems moving past a ground observatory that result from changes in magnetic activity with periods and scale sizes associated with the regions of enhanced auroral activity. Some evidence suggesting tidal-like stationary waves from the Millstone Hill incoherent scatter radar is presented.

Gross, S. H.↗

The short ionizing photon mean free path at z = 6 in Cosmic Dawn III, a new fully coupled radiation-hydrodynamical simulation of the Epoch of Reionization

ABSTRACT Recent determinations of the mean free path of ionizing photons (mfp) in the intergalactic medium (IGM) at z = 6 are lower than many theoretical predictions. In order to gain insight, we investigate the evolution of the mfp in our new massive fully coupled radiation-hydrodynamics cosmological simulation of reionization: Cosmic Dawn III (CoDa III). CoDa III’s scale ($\rm 94^3 \, cMpc^3$) and resolution ($\rm 8192^3$ grid) make it particularly suitable to study the IGM during reionization. The simulation was performed with ramses-cudaton on Summit, and used 13 1072 processors coupled to 24 576 GPUs, making it the largest reionization simulation, and largest ever ramses simulation. A superior agreement with global constraints on reionization is obtained in CoDa III over Cosmic Dawn II (CoDa II), especially for the evolution of the neutral hydrogen fraction and the cosmic photoionization rate, thanks to an improved calibration, later end of reionization (z = 5.6), and higher spatial resolution. Analysing the mfp, we find that CoDa III reproduces the most recent observations very well, from z = 6 to z = 4.6. We show that the distribution of the mfp in CoDa III is bimodal, with short (neutral) and long (ionized) mfp modes, due to the patchiness of reionization and the coexistence of neutral versus ionized regions during reionization. The neutral mode peaks at sub-kpc to kpc scales of mfp, while the ionized mode peak evolves from 0.1 Mpc h−1 at z = 7 to ∼10 Mpc h−1 at z = 5.2. Computing the mfp as the average of the ionized mode provides the best match to the recent observational determinations. The distribution reduces to a single neutral (ionized) mode at z > 13 (z < 5).

Lewis, Joseph S. W. (ORCID:0000000179178474)↗

Scale covariance and G-varying cosmology. III - The /m, z/, /theta sub m, z/, /theta sub i, z/, and /N/m/, m/ tests

The Einstein gravitational equations in atomic units are fully solved for a matter-dominated universe in the context of a recently proposed scale-covariant cosmology. The magnitude-redshift relation for elliptical galaxies is studied, the evolutionary parameter used in such a study is derived, and the relation between isophotal angular diameters and redshifts is investigated, along with the relation between metric angular diameters and redshifts, the N(m)-magnitude relation for QSOs, and the magnitude-redshift relation for QSOs. Results are presented for four gauges (i.e., relations between G and the scale function beta (t)), and no contradictions are found between the proposed theory and the observational data. It is shown that only an open universe can fit the data if certain gauges suggested by a recent analysis of the time variation of the moon's period are selected and that observations made with atomic instruments do not necessarily yield geometrical parameters unless specific assumptions are made regarding the relation between atomic and gravitational dynamics.

Canuto, V. M.↗

Scale and Turbulence Effects on the Lift and Drag Characteristics of the NACA 65(Sub 3)-418, A=1.0 Airfoil Section

Wind-tunnel tests, investigating low drag wing performance in small-scale tests, showed a large increase in minimum drag coefficient, and a decrease of maximum lift coefficient occurred with decreasing Reynolds Number above certain designated values. The lift-curve slope varied up to 6% between high and low turbulence levels. Low Reynolds Number test data are unreliable for low drag airfoils either to estimate full-scale characteristics or to determine merits of airfoils for higher Reynolds numbers.

REYNOLDS NUMBER↗

Fluoro‐Ethylene‐Carbonate Plays a Double‐Edged Role on the Stability of Si Anode‐Based Rechargeable Batteries During Cycling and Calendar Aging

Abstract The energy storage density of Li‐ion batteries can be improved by replacing graphite anodes with high‐capacity Si‐based materials, though instabilities have limited their implementation. Performance degradation mechanisms that occur in Si anodes can be divided into cycling stability (capacity retention after repeated battery cycles) and calendar aging (shelf life). While cycling instabilities and improvement strategies have been researched intensively, there is little known about the underlying mechanisms that cause calendar aging. In this work, multiple electron microscope techniques are used to explore the mechanism that governs calendar aging from the sub‐nanometer‐to‐electrode scale. Plasma focused ion beam tomography is used to create 3D reconstructions of calendar aged electrodes and revealed the growth of a LiF‐rich layer at the interface between the copper current collector and the silicon material, which can lead to delamination and increased interfacial impendence. The LiF layer appeared to derive from the fluoro‐ethylene‐carbonate electrolyte additive, which is commonly used to improve cycling stability in Si‐based systems. The results reveal that additives necessary to improve cycling stability can cause performance degradation over the long‐term during calendar aging. The results show that high performing, stable systems require careful design to simultaneously mitigate both cycling and calendar aging instabilities.

25 ENERGY STORAGE↗

Bioinspired Macrocyclic Molecule Supported Two‐Dimensional Lamellar Membrane with Robust Interlayer Structure for High‐Efficiency Nanofiltration

Abstract 2D lamellar membranes (2DLMs) are used for efficient desalination and nanofiltration. However, weak interactions between adjacent stacked nanosheets result in susceptibility to swelling that limits practical applicability. Inspired by the super adhesion of multi‐point suction cups on octopus tentacles, a 2DLM is constructed from Ti 3 C 2 T x MXene supported by the macrocyclic “multi‐point” molecule cucurbit[5]uril (CB5) and demonstrated for nanofiltration of methyl blue (MB) and enrichment of uranyl carbonate. Experimental results and density functional theory calculations indicate that CB5 rivets to the surface of the nanoflakes through strong stable interactions between its multiple binding sites and surface hydroxyl functional groups on MXene nanosheets. This novel 2DLM exhibits excellent nanofiltration performance (69 L m −2 h −1 bar −1 permeance with 93.6% rejection for MB) and can be recycled at least 30 times without significant degradation. The 2DLM exhibits excellent swelling resistance at high salinity, with a demonstration of selective enrichment of uranyl carbonate from artificial water and natural seawater. The results provide a new strategy for constructing highly stable 2DLMs with interlayer spacing controllable from sub‐nano to nanometer scales, for size‐selective sieving of molecules and ions, high‐efficiency nanofiltration, and other applications.

38 RADIATION CHEMISTRY, RADIOCHEMISTRY, AND NUCLEA↗

Spatiotemporal Studies of Soluble Inorganic Nanostructures with X‐rays and Neutrons

This Review addresses the use of X-ray and neutron scattering as well as X-ray absorption to describe how inorganic nanostructured materials assemble, evolve, and function in solution. We first provide an overview of techniques and instrumentation (both large user facilities and benchtop). We review recent studies of soluble inorganic nanostructure assembly, covering the disciplines of materials synthesis, processes in nature, nuclear materials, and the widely applicable fundamental processes of hydrophobic interactions and ion pairing. Reviewed studies cover size regimes and length scales ranging from sub-Ångström (coordination chemistry and ion pairing) to several nanometers (molecular clusters, i.e. polyoxometalates, polyoxocations, and metal-organic polyhedra), to the mesoscale (supramolecular assembly processes). Reviewed studies predominantly exploit 1) SAXS/WAXS/SANS (small- and wide-angle X-ray or neutron scattering), 2) PDF (pair-distribution function analysis of X-ray total scattering), and 3) XANES and EXAFS (X-ray absorption near-edge structure and extended X-ray absorption fine structure, respectively). While the scattering techniques provide structural information, X-ray absorption yields the oxidation state in addition to the local coordination. Our goal for this Review is to provide information and inspiration for the inorganic/materials science communities that may benefit from elucidating the role of solution speciation in natural and synthetic processes.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Ionic Liquid Facilitated Solvent‐Phase Polymerization of Ultrasmooth Coatings of Polycatecholamines

Mussel-inspired polycatecholamine coatings and films have proven to be versatile materials for surface modification. However, the progress of chemically modified coatings with tailored properties has been slow due to the lack of definitive evidence of their polymeric structure. Polycatecholamines form aggregates during polymerization, and their formation mechanism has been a subject of debate owing to their insolubility in traditional molecular solvents. Exploiting the capability of ionic liquids (ILs) to exhibit strong electrostatic interactions, herein, the first solution-phase polymerization approach is reported to achieve polymerization of four catecholamines – dopamine (DA), norepinephrine (NE), L-3,4-dihydroxyphenylalanine (L-DOPA), and adrenaline (AD). Kinetic control over the polymerization process in the solution phase enabled it to follow the process with 1 H NMR spectroscopy, revealing the formation of structural features of resulting complex heterogeneous and soluble polymers. The polymers are both covalent and associative in nature. Solution phase polymerization prevented the formation of large aggregates in the solution, thus facilitating the formation of coatings that are ultra-smooth and have root mean square roughness of the order of sub-nm to nm scale.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Morphology and Dynamics of Bottlebrush Polymers

This thesis makes significant advances to the understanding of bottlebrush polymers. While bottlebrushes have received much attention due to the recent discovery of their unprecedented properties, including supersoftness, ultra-low viscosity, and hyperelasticity, this thesis is the first fundamental investigation at the molecular level that comprises structure and dynamics. Neutron scattering experiments, detailed within, reveal spherical or cylindrical shapes, instead of a random coil conformation. Another highlight is the analysis of the fast dynamics at the sub nm-length scale. The combination of three neutron spectrometers and the development of a new analysis technique enabled the calculation of the mean-square displacement over seven orders of magnitude in time scale. This unprecedented result can be applied to a broad class of samples, including polymers and other materials. The thesis is accessible to scientists from other fields, provides the reader with easily understandable guidelines for applying this analysis to other materials, and has the potential to make a significant impact on the analysis of neutron scattering data.

36 MATERIALS SCIENCE↗