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At least 1,423 records · Page 79

Electrical Engineering in Los Alamos Neutron Science Center Accelerator

The field of electrical engineering plays a significant role in particle accelerator design and operations. Los Alamos National Laboratories LANSCE facility utilizes the electrical energy concepts of power distribution, plasma generation, radio frequency energy, electrostatic acceleration, signals and diagnostics. The culmination of these fields produces a machine of incredible potential with uses such as isotope production, neutron spallation, neutron imaging and particle analysis. The key isotope produced in LANSCE isotope production facility is Strontium-82 which is utilized for medical uses such as cancer treatment and positron emission tomography also known as PET scans. Neutron spallation is one of the very few methods used to produce neutrons for scientific research the other methods are natural decay of transuranic elements from nuclear reactors. Accelerator produce neutrons by accelerating charged particles into neutron dense elements such as tungsten imparting a neutral particle with kinetic energy, this has the benefit of producing a large number of neutrons as well as minimizing the waste generated. Utilizing the accelerator scientist can gain an understanding of how various particles behave and interact with matter to better understand the natural laws of physics and the universe around us.

43 PARTICLE ACCELERATORS↗

Locking and Unlocking the Molecular Spin Crossover Transition

Abstract The Fe(II) spin crossover complex [Fe{H 2 B(pz) 2 } 2 (bipy)] (pz = pyrazol‐1‐yl, bipy = 2,2′‐bipyridine) can be locked in a largely low‐spin‐state configuration over a temperature range that includes temperatures well above the thermal spin crossover temperature of 160 K. This locking of the spin state is achieved for nanometer thin films of this complex in two distinct ways: through substrate interactions with dielectric substrates such as SiO 2 and Al 2 O 3 , or in powder samples by mixing with the strongly dipolar zwitterionic p ‐benzoquinonemonoimine C 6 H 2 (—⋯ NH 2 ) 2 (—⋯ O) 2 . Remarkably, it is found in both cases that incident X‐ray fluences then restore the [Fe{H 2 B(pz) 2 } 2 (bipy)] moiety to an electronic state characteristic of the high spin state at temperatures of 200 K to above room temperature; that is, well above the spin crossover transition temperature for the pristine powder, and well above the temperatures characteristic of light‐ or X‐ray‐induced excited‐spin‐state trapping. Heating slightly above room temperature allows the initial locked state to be restored. These findings, supported by theory, show how the spin crossover transition can be manipulated reversibly around room temperature by appropriate design of the electrostatic and chemical environment.

Zhang, Xin↗

Complete quasilinear model for the acceleration-driven lower hybrid drift instability and a computational assessment of its validity

A complete quasilinear model is derived for the electrostatic acceleration-driven lower hybrid drift instability in a uniform two-species low-beta plasma in which current is perpendicular to the background magnetic field. The model consists of coupled nonlinear velocity space diffusion equations for the volume-averaged ion and electron distribution functions. Each species' diffusion coefficient depends on a time-evolving spectral density of the electric-field energy per unit volume and a time-evolving dispersion relation. The dispersion relation is expressed analytically in integral form without the use of asymptotic limits and applies to arbitrary distribution functions, so long as they can be expressed as a function of one velocity coordinate, e.g., f⁡(vy) or f⁡(v⊥). The quasilinear model conserves energy and is complete in that it fully describes the evolution of the distribution functions, including resonant and nonresonant particle-wave interactions, while accounting for distribution-function-dependent mixed-complex frequencies. Further, the quasilinear diffusion model is solved numerically and self-consistently using a Crank-Nicolson temporal discretization and a second-order finite-volume velocity-space discretization. Numerical solutions are compared to nonlinear fourth-order accurate continuum kinetic Vlasov-Poisson simulations. Evolution of electric-field energy, growth rates, distribution functions, and diffusion coefficients are shown to be in agreement with Vlasov simulations. The quasilinear model is shown to predict anomalous transport terms, like resistivity and heating, to within a factor of order unity. Discrepancies between the quasilinear model and Vlasov simulations are assessed and attributed primarily to lack of damping in the quasilinear description and to the use of unperturbed-orbit susceptibilities in the linear theory dispersion relation. The results illuminate the predictive accuracy of the quasilinear model, place approximate bounds on its validity, and provide much needed vetting of quasilinear theory's ability to predict the nonlinear state of a microturbulent plasma.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Impact of solvation on the GW quasiparticle spectra of molecules

First-principles calculations for electrochemistry require accurate treatment of both electronic structure and solvation. The perturbative GW approximation starting from density functional theory (DFT) calculations accurately models materials systems with varying dimensionality. Continuum solvation models enable efficient treatment of solvation effects in DFT calculations, but their applications with beyond-DFT electronic structure methods such as GW have been limited. Here, we introduce the frequency-dependent liquid polarizability from a nonlocal continuum solvation model in the screened Coulomb interaction of full-frequency GW calculations with a solvated DFT starting point. In this study, we show that the liquid screening contributions substantially reduce the HOMO–LUMO gap of molecules by 3–5 eV, while solvent effects on the DFT starting point negligibly impact the GW gap. The resulting framework facilitates the simultaneous electronic and solvation accuracy needed for first-principles electrochemistry.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Gyrokinetic understanding of the edge pedestal transport driven by resonant magnetic perturbations in a realistic divertor geometry

Self-consistent simulations of neoclassical and electrostatic turbulent transport in a DIII-D H-mode edge plasma under resonant magnetic perturbations (RMPs) have been performed using the global total-f gyrokinetic particle-in-cell code XGC, in order to study density-pump out and electron heat confinement.The RMP field is imported from the extended magneto-hydrodynamics (MHD) code M3D-C1, taking into account the linear two-fluid plasma response.With both neoclassical and turbulence physics considered together, the XGC simulation reproduces two key features of experimentally observed edge transport under RMPs: increased radial particle transport in the pedestal region that is sufficient to account for the experimental pump-out rate, and suppression of the electron heat flux in the steepest part of the edge pedestal.In the simulation, the density fluctuation amplitude of modes moving in the electron diamagnetic direction increases due to interaction with RMPs in the pedestal shoulder and outward, while the electron temperature fluctuation amplitude decreases.

DIII-D↗

Tuning the melting point of selected ionic liquids through adjustment of the cation’s dipole moment.

In prior research with thermally robust salts [Cassity et al., PCCP, 2017, 19, 31560] it was noted that an increase in the dipole moment of the cation generally led to a decrease in the melting point. Molecular dynamics simulations of the liquid state revealed that an increased dipole moment reduces cation-cation repulsions through dipole-dipole alignment. This was believed to reduce the liquid phase enthalpy, which would tend to lower the melting point of the IL. Here, we also test this principle by replacing hydrogen atoms with fluorine atoms at selected positions within the cation. This allows us to alter the electrostatics of the cation without substantially affecting the sterics. Furthermore, the strength of the dipole moment can be controlled by choosing different positions within the cation for replacement. We studied variants of four different parent cations paired with bistriflimide and determined their melting points, and enthalpies and entropies of fusion through DSC experiments. The decreases in the melting point were determined to be enthalpically driven. We found that the dipole moment of the cation, as determined by quantum chemical calculations, is inversely correlated with the melting point of the given compound. Molecular dynamics simulations of the crystalline and solid states of two isomers showed differences in their enthalpies of fusion that closely matched those seen experimentally. Moreover, this reduction in the enthalpy of fusion was determined to be caused by an increase in the enthalpy of the crystalline state. We provide evidence that dipole-dipole interactions between cations leads to the formation of cationic domains in the crystalline state. These cationic associations partially block favourable cation–anion interactions, which are recovered upon melting. If, however, the dipole- dipole interactions between cations is too strong they have a tendency to form glasses. This study provides a design rule for lowering the melting point of structurally similar ILs by altering their dipole moment.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

Plasmon coupling in topological insulator multilayers

Topological insulators (TIs) house two-dimensional Dirac plasmons on their surfaces. In TI thin films, plasmons on the top and bottom surfaces couple electrostatically, giving rise to an acoustic and an optical plasmon mode. By extension, a superlattice comprising TI layers and trivially-insulating layers could house multiple complex plasmon modes which could be used to create a new type of Dirac metamaterial. In this paper, we synthesize TI superlattices, fabricate them into stripe arrays, characterize their optical and plasmonic properties, and model the samples using transfer matrices. Furthermore, we excite plasmon modes that couple to the phonons in the superlattice, resulting in hybrid plasmon phonon polaritons. These modes are modeled using an analytical Fano resonance model and the extracted resonant positions are reproduced by transfer matrix modeling. We also excite an epsilon-near-zero mode in the top dielectric material (Bi 0.5 In 0.5 ) 2 Se 3 . Understanding the behavior of the polariton modes in this complex system will lend insight into the many-body interaction in low-dimensional systems.

36 MATERIALS SCIENCE↗

pyDiSCaMB : enabling the use of multipolar scattering factors in Phenix

Multipolar scattering models, such as the transferable aspherical atom model, account for atomic chemical interactions and provide a more accurate representation of experimental data. However, the simpler independent atom model (IAM), which assumes non-interacting atoms, is the only model available in the most widely used macromolecular refinement programs. This is primarily because IAM offers a hard-to-beat combination of computational efficiency and modelling power at typical macromolecular resolutions. By contrast, more accurate multipolar modelling has historically been limited due to its computational cost and the absence of an interface between software capable of calculating structure factors and gradients based on multipolar models and software designed for macromolecular refinement. This work introduces pyDiSCaMB , a Python software package designed to integrate between the computational crystallography toolbox ( cctbx ) and the quantum crystallography library DiSCaMB ( Densities in Structural Chemistry and Molecular Biology ), thus enabling multipolar scattering models in Phenix 's toolkit. The implementation, features and capabilities of pyDiSCaMB are presented, the runtimes for the calculation of structure factor and target gradients with respect to atomic parameters are explored, and Fourier images of electrostatic potential, electron density and deformation maps are computed as illustrative examples. The pyDiSCaMB library will make multipolar modelling widely available to the structural biology community, potentially transforming refinement and model-building for both crystallography and cryogenic electron microscopy (cryoEM).

MATTS data bank↗

Energetic Particles - microturbulence interaction thrust (EP SIWG white paper)

This white paper outlines a strategic approach to Energetic Particle (EP) research, aimed at applying the results to the future burning devices such as ITER. Our goal is to deepen the understanding of the interplay between plasma background microturbulence and diverse species of energetic ions in burning plasma devices. This strategy is poised to advance our knowledge in this crucial area of fusion science, paving the way for significant breakthroughs in plasma physics and fusion energy research. We consider the confinement of energetic ions such as auxiliary heating beams, minority ions from ICRH, and fusion product alpha particles. Recent studies have underscored the potential of EP/microturbulence interaction to enhance fusion plasma performance by stabilizing microturbulence. However, it also poses risks, such as exacerbating Alfvénic eigenmode (AE) instabilities, which could compromise the sustainability of plasma discharge by causing EP losses. The interplay between EPs and background microturbulence is evident in the phenomenon of effective pitch angle scattering, a crucial aspect of the quasilinear (QL) theory. This theory is integral to developing numerically-efficient yet comprehensive and self-consistent approaches, recently employed to investigate the relaxation of energetic particle populations in the holistic modeling of fusion-grade plasmas. The primary objectives of this white paper thrust encompass a dual focus. First is that we need to delve into the mechanisms through which microturbulence engenders effective pitch angle scattering. This investigation will entail the examination of the presence of known or self-consistently predicted spectra of modes accountable for microturbulence. In these explorations, electrostatic microturbulence serves as a logical initial stride towards achieving the trust's objectives. This endeavor is anticipated to yield formulations expressing the parametric dependencies of the effective pitch angle scattering frequency on variables such as thermal plasma electron and/or ion temperatures, as well as their respective thermal conductivities. In our second objective, we aim to delve into the intricate formation of zonal flow (ZF) structures amidst the complex interplay of microturbulence and Alfvenic eigenmodes (AEs). This endeavor poses greater challenges as we seek to unravel the macroscopic manifestations influenced by microturbulence, termed as zonal structures (ZS), stemming from microturbulence-induced ZF. Drawing from this understanding, we anticipate employing a QL approach to yield comprehensive insights into the distribution function of energetic particles (EP) within phase space. This method entails resolving the dominant multidimensional phase space diffusion processes while effectively averaging over the rapid ballistic responses. Nevertheless, substantial strides remain imperative to realize a comprehensive whole-device modeling framework. This entails meticulous verification and validation exercises against experimental observations, as well as rigorous benchmarking against theoretical frameworks and numerical simulations.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Spacecraft Electrostatic Radiation Shielding

This project analyzed the feasibility of placing an electrostatic field around a spacecraft to provide a shield against radiation. The concept was originally proposed in the 1960s and tested on a spacecraft by the Soviet Union in the 1970s. Such tests and analyses showed that this concept is not only feasible but operational. The problem though is that most of this work was aimed at protection from 10- to 100-MeV radiation. We now appreciate that the real problem is 1- to 2-GeV radiation. So, the question is one of scaling, in both energy and size. Can electrostatic shielding be made to work at these high energy levels and can it protect an entire vehicle? After significant analysis and consideration, an electrostatic shield configuration was proposed. The selected architecture was a torus, charged to a high negative voltage, surrounding the vehicle, and a set of positively charged spheres. Van de Graaff generators were proposed as the mechanism to move charge from the vehicle to the torus to generate the fields necessary to protect the spacecraft. This design minimized complexity, residual charge, and structural forces and resolved several concerns raised during the internal critical review. But, it still is not clear if such a system is costeffective or feasible, even though several studies have indicated usefulness for radiation protection at energies lower than that of the galactic cosmic rays. Constructing such a system will require power supplies that can generate voltages 10 times that of the state of the art. Of more concern is the difficulty of maintaining the proper net charge on the entire structure and ensuring that its interaction with solar wind will not cause rapid discharge. Yet, if these concerns can be resolved, such a scheme may provide significant radiation shielding to future vehicles, without the excessive weight or complexity of other active shielding techniques.

Source record↗

Preparation and Properties of Nanocomposites from Pristine and Modified SWCNTs of Comparable Average Aspect Ratios

Low color, flexible, space-durable polyimide films with inherent and robust electrical conductivity to dissipate electrostatic charge (ESC) have been under investigation as part of a materials development activity for future NASA space missions. The use of single-walled carbon nanotubes (SWCNTs) is one means to achieving this goal. Even though the concentration of SWCNTs needed to achieve ESC dissipation is typically low, it is dependent upon purity, size, dispersion, and functionalization. In this study, SWCNTs prepared by the electric arc discharge method were used to synthesize nanocomposites using the LaRC(TradeMark) CP2 backbone as the matrix. Pristine and functionalized SWCNTs were mixed with an alkoxysilane terminated amide acid of LaRC(TradeMark) CP2 and the soluble imide form of the polymer and the resultant nanocomposites evaluated for mechanical, thermal, and electrical properties. Due to the preparative conditions for the pristine and functionalized SWCNTs, the average aspect ratio for both was comparable. This permitted the assessment of SWCNT functionalization with respect to various interactions (e.g. van der Waals, hydrogen bonding, covalent bond formation, etc.) with the matrix and the macroscopic effects upon nanocomposite properties. The results of this study are described herein.

Smith, Joseph G.↗

Insights into the Oxidation Mechanism of Vivianite to Metavivianite from First-Principles Calculations

Vivianite, a hydrous ferrous iron-phosphate mineral (Fe 3 (PO 4 ) 2 ·8H 2 O), readily oxidizes in contact with air yielding the less hydrous mixed-valent iron-phosphate mineral metavivianite. This topotactic transformation nominally occurs by oxidative dehydrogenation in which outgoing electrons from the iron sublattice are charge compensated by hydrolysis of structural water. However, the details of this internal charge balancing mechanism that allows the structure to remain electrostatically stable remain unknown. Here, in this study, we use density functional theory (DFT) calculations and ab initio thermodynamics (AIT) to evaluate the energetics of this process in terms of hydrogen release as a function of environmental variables such as partial pressure and temperature. The results show a thermodynamic driving force for vivianite phase transformation as oxidation progresses that is triggered by its rigid structure that has a limited accommodation for hydrogen vacancies. In contrast, metavivianite has a more flexible lattice and hydrogen bond network that stabilizes these hydrogen defects. Metavivianite is shown to be a stable intermediate for 66% residual Fe 2+ down to 33% Fe 2+ , below which other phases/structures such as santabarbarite should be more thermodynamically favorable. Our study provides a basis for experimental tests of our mechanistic findings and helps fill a basic knowledge gap about the solid-state process that defines how vivianite interacts with its surrounding environment.

Sassi, Michel [Pacific Northwest National Laborato↗

First Results from ARTEMIS, a New Two-Spacecraft Lunar Mission: Counter-Streaming Plasma Populations in the Lunar Wake

We present observations from the first passage through the lunar plasma wake by one of two spacecraft comprising ARTEMIS (Acceleration, Reconnection, Turbulence, and Electrodynamics of the Moon's Interaction with the Sun), a new lunar mission that re-tasks two of five probes from the THEMIS magnetospheric mission. On Feb 13, 2010, ARTEMIS probe P1 passed through the wake at 3.5 lunar radii downstream from the Moon, in a region between those explored by Wind and the Lunar Prospector, Kaguya, Chandrayaan, and Chang'E missions. ARTEMIS observed interpenetrating proton, alpha particle, and electron populations refilling the wake along magnetic field lines from both flanks. The characteristics of these distributions match expectations from self-similar models of plasma expansion into vacuum, with an asymmetric character likely driven by a combination of a tilted interplanetary magnetic field and an anisotropic incident solar wind electron population. On this flyby, ARTEMIS provided unprecedented measurements of the interpenetrating beams of both electrons and ions naturally produced by the filtration and acceleration effects of electric fields set up during the refilling process. ARTEMIS also measured electrostatic oscillations closely correlated with counter-streaming electron beams in the wake, as previously hypothesized but never before directly measured. These observations demonstrate the capability of the comprehensively instrumented ARTEMIS spacecraft and the potential for new lunar science from this unique two spacecraft constellation.

Halekas, J. S.↗

Characterization of Two Positional Isomers of the Cs + Gly Complex Using Two-Color, IR–IR Photobleaching of the Cryogenically Cooled Ions

Metal ion binding to amino acid residues is an important interaction motif that controls the tertiary structures of oligopeptides. Analyses of the vibrational band patterns displayed by the amino acid scaffolds are commonly used to characterize the local docking motifs. Here we carry out two-color, IR-IR photobleaching measurements to obtain isomer-selective vibrational spectra of the Cs + Gly ion-molecule complex isolated in a cryogenically cooled, radiofrequency ion trap. The distinct band patterns of two non-interconverting isomers are observed and traced to different bidentate binding motifs between Cs + and the glycine scaffold. In one isomer, the ion attaches to the oxygen atoms of the carboxyl group whereas in the other it docks to the amino nitrogen and the carbonyl oxygen. Attachment to the acid head group yields a very diffuse absorption associated the OH group engaged in a strong intramolecular H-bond that closes a 5 membered ring. Furthermore, the band assignments, rearrangement pathways and electrostatic distortion of the electron density distributions in the glycine scaffold by the proximal ion are explored with electronic structure calculations and anharmonic theory.

Infrared spectroscopy↗

First Results from ARTEMIS, A New Two-Spacecraft Lunar Mission: Counter-Streaming Plasma Populations in the Lunar Wake

We present observations from the first passage through the lunar plasma wake by one of two spacecraft comprising ARTEMIS (Acceleration, Reconnection, Turbulence, and Electrodynamics of the Moon's Interaction with the Sun), a new lunar mission that re-tasks two of five probes from the THEMIS magnetospheric mission. On Feb 13, 2010, ARTEMIS probe P1 passed through the wake at approximately 3.5 lunar radii downstream from the Moon, in a region between those explored by Wind and the Lunar Prospector, Kaguya, Chandrayaan, and Chang'E missions. ARTEMIS observed interpenetrating proton, alpha particle, and electron populations refilling the wake along magnetic field lines from both flanks. The characteristics of these distributions match expectations from self-similar models of plasma expansion into vacuum, with an asymmetric character likely driven by a combination of a tilted interplanetary magnetic field and an anisotropic incident solar wind electron population. On this flyby, ARTEMIS provided unprecedented measurements of the interpenetrating beams of both electrons and ions naturally produced by the filtration and acceleration effects of electric fields set up during the refilling process. ARTEMIS also measured electrostatic oscillations closely correlated with counter-streaming electron beams in the wake, as previously hypothesized but never before directly measured. These observations demonstrate the capability of the comprehensively instrumented ARTEMIS spacecraft and the potential for new lunar science from this unique two spacecraft constellation.

Plasma↗

Analysis of Lunar Surface Charging for a Candidate Spacecraft Using NASCAP-2K

The characterization of the electromagnetic interaction for a spacecraft in the lunar environment, and identification of viable charging mitigation strategies, is a critical lunar mission design task, as spacecraft charging has important implications both for science applications and for astronaut safety. To that end, we have performed surface charging calculations of a candidate lunar spacecraft for lunar orbiting and lunar landing missions. We construct a model of the spacecraft with candidate materials having appropriate electrical properties using Object Toolkit and perform the spacecraft charging analysis using Nascap-2k, the NASA/AFRL sponsored spacecraft charging analysis tool. We use nominal and atypical lunar environments appropriate for lunar orbiting and lunar landing missions to establish current collection of lunar ions and electrons. In addition, we include a geostationary orbit case to demonstrate a bounding example of extreme (negative) charging of a lunar spacecraft in the geostationary orbit environment. Results from the charging analysis demonstrate that minimal differential potentials (and resulting threat of electrostatic discharge) occur when the spacecraft is constructed entirely of conducting materials, as expected. We compare charging results to data taken during previous lunar orbiting or lunar flyby spacecraft missions.

Parker, Linda↗

Flowing plasma rearrangement in the presence of static perturbing fields

Charged particles interacting with electromagnetic waves have a portion of their energy tied up in wave-driven oscillations. When these waves are localized to the exhaust of linear magnetic confinement systems, this ponderomotive effect can be utilized to enhance particle confinement. The same effect can be derived for particles moving via an E×B drift into a region of a static perturbation to the electromagnetic fields which has a large wave vector component in the direction of the motion. In this work, we use a simplified slab model to self-consistently solve for the electromagnetic fields within the fluid flowing plasma of a static flute-like (k∥=0) perturbation and evaluate the resulting ponderomotive potential. We find that two types of perturbations can exist within the flowing plasma, which are an O wave and an X wave in the frame moving with the fluid. In the case of tenuous plasma, these perturbations are magnetostatic or electrostatic multipole-analog perpendicular to the guiding magnetic field in the lab frame, respectfully. For denser plasmas, the O wave-like perturbation is screened at the electron skin depth scale, and the X wave-like perturbation is a combination of a similar perpendicular electric perturbation and parallel magnetic perturbation. The ponderomotive potential generated in the X wave-like case is gyrofrequency-dependent and can be used as either potential barriers or potential wells, depending on the direction of the flow velocity.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Cassini Radio and Plasma Wave Observations at Saturn

Results are presented from the Cassini radio and plasma wave instrument during the approach and first few orbits around Saturn. During the approach the intensity modulation of Saturn Kilometric Radiation (SKR) showed that the radio rotation period of Saturn has increased to 10 hr 45 min plus or minus 36 sec, about 6 min longer than measured by Voyager in 1980-81. Also, many intense impulsive radio signals called Saturn Electrostatic Discharges (SEDs) were detected from saturnian lightning, starting as far as 1.08 AU from Saturn, much farther than terrestrial lightning can be detected from Earth. Some of the SED episodes have been linked to cloud systems observed in Saturn s atmosphere by the Cassini imaging system. Within the magnetosphere plasma wave emissions have been used to construct an electron density profile through the inner region of the magnetosphere. With decreasing radial distance the electron density increases gradually to a peak of about 100 per cubic centimeter near the outer edge of the A ring, and then drops precipitously to values as low as .03 per cubic centimeter over the rings. Numerous nearly monochromatic whistler-mode emissions were observed as the spacecraft passed over the rings that are believed to be produced by meteoroid impacts on the rings. Whistlermode emissions, similar to terrestrial auroral hiss were also observed over the rings, indicating that an electrodynamic interaction, similar to auroral particle acceleration, may be occurring in or near the rings. During the Titan flybys Langmuir probe and plasma wave measurements provided observations of the density and temperature in Titan's ionosphere.

Gurnett, D. A.↗