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At least 1,063 records · Page 59

Optical, spin-resonance, and magnetoresistance studies of /tetrathiatetracene/2/iodide/3 - The nature of the ground state

A recent investigation in which Isett and Perez-Albuerne (1977) found that (tetrathiatetracene)2(iodine)3 is a stable organic metal down to 3.3 K is of considerable interest. In view of the diversity of suggestions made regarding this compound, measurements, were made of its electrical, magnetic, and optical properties. The results obtained indicate a metallic state at high temperatures, but also support a nonmetallic state at temperatures below 30 K. At 20-30 K, a metal-to-insulator phase transition occurs. This is indicated by the onset of a large and positive magnetoresistance, the leveling off in the temperature dependence of the ESR linewidth, and by recent derivative analysis of the electrical conductivity in this region. The investigated compound represents an interesting one-dimensional electronic system in which it may be possible to study the combined effects of disorder and interchain coupling on charge transport processes.

Somoano, R. B.↗

Magnetic Fe3O4@TiO2 Nanoparticles-based Test Strip Immunosensing Device for Rapid Detection of Phosphorylated Butyrylcholinesterase

An integrated magnetic nanoparticles-based test-strip immunosensing device was developed for rapid and sensitive quantification of phosphorylated butyrylcholinesterase (BChE), the biomarker of exposure to organophosphous pesticides (OP), in human plasma. In order to overcome the difficulty in scarce availability of OP-specific antibody, here magnetic Fe3O4@TiO2 nanoparticles were used and adsorbed on the test strip through a small magnet inserted in the device to capture target OP-BChE through selective binding between TiO2 and OP moiety. Further recognition was completed by horseradish peroxidase (HRP) and anti-BChE antibody (Ab) co-immobilized gold nanoparticles (GNPs). Their strong affinities among Fe3O4@TiO2, OP-BChE and HRP/Ab-GNPs were characterized by quartz crystal microbalance (QCM), surface plasmon resonance (SPR) and square wave voltammetry (SWV) measurements. After cutting off from test strip, the resulted immunocomplex (HRP/Ab-GNPs/OP-BChE/Fe3O4@TiO2) was measured by SWV using a screen printed electrode under the test zone. Greatly enhanced sensitivity was achieved by introduction of GNPs to link enzyme and antibody at high ratio, which amplifies electrocatalytic signal significantly. Moreover, the use of test strip for fast immunoreactions reduces analytical time remarkably. Coupling with a portable electrochemical detector, the integrated device with advanced nanotechnology displays great promise for sensitive, rapid and in-filed on-site evaluation of OP poisoning.

biomarkers↗

Low-Field Nuclear Magnetic Resonance Characterization of Carbonate and Sandstone Reservoirs From Rock Spring Uplift of Wyoming

Laboratory measurements including gas (N 2 ) porosity and permeability, time-domain nuclear magnetic resonance, thin section, and scanning electron microscopy analysis were conducted to obtain petrographical and petrophysical descriptions of the Weber Sandstone and Madison Limestone at the Rock Spring Uplift, a potential carbon dioxide storage site in Southwestern Wyoming. The relationships between pore structures, such as pore geometry, pore-size distribution, pore network, and porosity/permeability are investigated. First, using thin sections combined with scanning electron microscopy for pore structures description, all samples are described in detail from the geological, petrographysical, and diagenetic viewpoint. Results show that within the Madison Limestone, pore types include intercrystalline, vuggy, moldic, or mixed (combination of all other pore types). Both moldic and vuggy pore types are associated with samples of high porosity and permeability. Nuclear magnetic resonance relaxation time distributions show either bimodal or multimodal distributions. Large relaxation time components are associated with samples with large pores, whereas small components are dominated by small pores. The T 2 geometric mean correlates well with gas permeability. Additionally, short-time diffusion coefficients (D) were measured by pulsed field gradient method using a series of gradient strengths. We found that diffusion coefficient distributions correlate with the corresponding T 2 distributions for macropores. By comparing the dominant peak position of T 2 distributions and their corresponding diffusion coefficient distributions, we predicted the surface relaxivity of different rock types. We found that surface relaxivities of Weber Sandstone samples can be well predicted, while for Madison Limestone samples, surface relaxivities are overestimated due to diffusive pore coupling effect.

58 GEOSCIENCES↗

Unidirectional spin density wave state in metallic (Sr 1-x Lax) 2 IrO 4

Materials that exhibit both strong spin–orbit coupling and electron correlation effects are predicted to host numerous new electronic states. One prominent example is the J eff = 1/2 Mott state in Sr 2 IrO 4 , where introducing carriers is predicted to manifest high temperature superconductivity analogous to the S=1/2 Mott state of La 2 CuO 4 . While bulk super- conductivity currently remains elusive, anomalous quasiparticle behaviors paralleling those in the cuprates such as pseudogap formation and the formation of a d-wave gap are observed upon electron-doping Sr 2 IrO 4 . Here we establish a magnetic parallel between electron-doped Sr 2 IrO 4 and hole-doped La 2 CuO 4 by unveiling a spin density wave state in electron-doped Sr 2 IrO 4 . Our magnetic resonant X-ray scattering data reveal the presence of an incom- mensurate magnetic state reminiscent of the diagonal spin density wave state observed in the monolayer cuprate (La 1-x Sr x ) 2 CuO 4 . Furthermore, this link supports the conjecture that the quenched Mott phases in electron-doped Sr 2 IrO 4 and hole-doped La 2 CuO 4 support common competing electronic phases.

74 ATOMIC AND MOLECULAR PHYSICS↗

Unconventional field-induced spin gap in an S = 1/2 chiral staggered chain

We investigate the low-temperature magnetic properties of the molecule-based chiral spin chain [Cu(pym)(H 2 O) 4 ]SiF 6 ·H 2 O (pym = pyrimidine). Electron-spin resonance, magnetometry and heat capacity measurements reveal the presence of staggered g tensors, a rich low-temperature excitation spectrum, a staggered susceptibility and a spin gap that opens on the application of a magnetic field. These phenomena are reminiscent of those previously observed in non-chiral staggered chains, which are explicable within the sine-Gordon quantum-field theory. In the present case, however, the size of the gap and its measured linear field dependence do not fit with the sine-Gordon model as it stands. We propose that the differences arise due to additional terms in the Hamiltonian resulting from the chiral structure of [Cu(pym)(H 2 O)4]SiF 6 ·H 2 O, particularly a uniform Dzyaloshinskii-Moriya coupling and a four-fold periodic staggered field.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Mesoporous Co{sub 3}O{sub 4} nanostructured material synthesized by one-step soft-templating: A magnetic study

A combined magnetization and zero-field {sup 59}Co spin-echo nuclear magnetic resonance (NMR) study has been carried out on one member of a recently developed class of highly ordered mesoporous nanostructured materials, mesoporous Co{sub 3}O{sub 4} (designated UCT-8, University of Connecticut, mesoporous materials). The material was synthesized using one-step soft-templating by an inverse micelles packing approach. Characterization of UCT-8 by powder x-ray diffraction and electron microscopy reveals that the mesostructure consists of random close-packed Co{sub 3}O{sub 4} nanoparticles ≈ 12 nm in diameter. The N{sub 2} sorption isotherm for UCT-8, which is type IV with a type H1 hysteresis loop, yields a 134 m{sup 2}/g BET surface area and a 7.7 nm BJH desorption pore diameter. The effect of heat treatment on the structure is discussed. The antiferromagnetic Co{sub 3}O{sub 4} nanoparticles have a Néel temperature T{sub N} = 27 K, somewhat lower than the bulk. A fit to the Curie-Weiss law over the temperature range 75 K ≤ T ≤ 300 K yields an effective magnetic moment of μ{sub eff} = 4.36 μ{sub B} for the Co{sup 2+} ions, indicative of some orbital contribution, and a Curie-Weiss temperature Θ = −93.5 K, consistent with antiferromagnetic ordering. The inter-sublattice and intra-sublattice exchange constants for the Co{sup 2+} ions are J{sub 1}/k{sub B} = (−)4.75 K and J{sub 2}/k{sub B} = (−)0.87 K, respectively, both corresponding to antiferromagnetic coupling. The presence of uncompensated surface spins is observed below T{sub N} with shifts in the hysteresis loops, i.e., an exchange-bias effect. The {sup 59}Co NMR spectrum for UCT-8, which is attributed to Co{sup 2+} ions at the tetrahedral A sites, is asymmetrically broadened with a peak at ≈55 MHz (T = 4.2 K). Since there is cubic symmetry at the A-sites, the broadening is indicative of a magnetic field distribution due to the uncompensated surface spins. The spectrum is consistent with antiferromagnetically ordered particles that are nanometer in size and single domain.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Development of a coupled experimental–computational approach for engineering optimization of spout-fluidized bed particle coating systems

The design of spout-fluidized bed (SFB) coating systems for nuclear particle fuels typically relies on trial-and-error processes, comprising iterative and time-consuming coating deposition experiments and post-deposition characterization. At an engineering scale, this approach to guided SFB system design is inefficient, highlighting the need for streamlined experimental methodologies which can correlate fluidization conditions to downstream coating outcomes. In this study, we combine time-resolved particle image velocimetry (PIV) with CFD–DEM simulations to benchmark hydrodynamic behavior in a 3D spout-fluidized bed. By exploiting easily accessible optical measurements of particle motion at the bed wall and within the spouting region, we obtain quantitative velocity fields that can be directly compared with model predictions of the occluded bed region, without resorting to complex imaging and characterization techniques such as X-ray or magnetic resonance tomography. Experimental benchmarking reveals strong agreement between CFD–DEM and PIV in the spout and annulus regions, while discrepancies near the wall highlight areas for future model development. Here, the proposed integrated experimental–numerical framework will enable a direct connection between measured variables and numerically predicted fluidization performance of dense, surrogate nuclear particle fuel feedstock such that experimental SFB component design can be rapidly evaluated, informing design decisions for nozzle geometry and operating conditions. Future work will extend this framework by correlating quantified fluidization metrics across nozzle geometries and operating conditions with the resulting coating morphology, microstructure, and uniformity. Establishing these correlations will enable predictive links between hydrodynamic performance and coating quality, providing a rational, scalable basis for optimizing SFB design prior to coating deposition.

CFD/DEM↗

Time evolution from linear to nonlinear stages in magnetohydrodynamic parametric instabilities

The nonlinear evolution of the magnetohydrodynamic (MHD) parametric instability of wave fluctuations propagating along an unperturbed magnetic field is investigated. Both a magnetohydrodynamic perturbation-theoretical approach and a nonlinear MHD simulation are used. It is shown that high harmonic waves are rapidly excited by wave-wave coupling, and that the wave spectrum evolves from a state containing a small number of degrees of freedom in k space to one which contains a large number of degrees of freedom. It is found that the spectral evolution prior to nonlinear saturation is well described by the prturbation theory. During this stage, the ratio of the growth rate of the nth harmonic wave to the linear growth rate of the fundamental wave is n. The nonlinear saturation stage is characterized by a frequency shift of the fundamental wave that destroys the wave-wave resonance condition which, in turn, causes the wave amplitude to cease its growth.

Hoshino, M.↗

Distinctive signals of frustrated dark matter

We study a renormalizable model of Dirac fermion dark matter (DM) that communicates with the Standard Model (SM) through a pair of mediators — one scalar, one fermion — in the representation (6, 1, $\frac{4}{3}$) of the SM gauge group SU(3) c x SU(2) L x U(1) Y . While such assignments preclude direct coupling of the dark matter to the Standard Model at tree level, we examine the many effective operators generated at one-loop order when the mediators are heavy, and find that they are often phenomenologically relevant. We reinterpret dijet and pair-produced resonance and jets + E$^{miss}_{T}$ searches at the Large Hadron Collider (LHC) in order to constrain the mediator sector, and we examine an array of DM constraints ranging from the observed relic density Ω χ h$^{2}_{Planck}$ to indirect and direct searches for dark matter. Tree-level annihilation, available for DM masses starting at the TeV scale, is required in order to produce Ω χ h$^{2}_{Planck}$ through freeze-out, but loops — led by the dimension-five DM magnetic dipole moment — are nonetheless able to produce signals large enough to be constrained, particularly by the XENON1T experiment. In some benchmarks, we find a fair amount of parameter space left open by experiment and compatible with freeze-out. In other scenarios, however, the open space is quite small, suggesting a need for further model-building and/or non-standard cosmologies.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Imaging divertor strike point splitting in RMP ELM suppression experiments in the DIII-D tokamak [Imaging divertor strike point splitting in RMP ELM suppression experiments]

Fast visible imaging of the lower divertor from above is used to study the structure and dynamics of lobes induced by resonant magnetic perturbations (RMPs) in Edge-Localized Mode (ELM) suppression experiments in DIII-D. The best compromise between the amount of light and sharp imaging was obtained using emission at 601 nm from Fulcher band molecular deuterium. Multiple spatially resolved peaks in the D 2 emission, taken as a proxy for the particle flux, are readily resolved during RMPs, in contrast to the heat flux measured by infrared cameras, which shows little spatial structure in ITER-like conditions. The 25 mm objective lens provides high spatial resolution (2–4 mm/pixel) from the centerpost to the outer shelf over 40° toroidally that overlaps the field of view of the IRTV that measures the divertor heat flux, allowing direct comparison in non-axisymmetric discharges. The image is coupled to a Phantom 7.3 camera using a Schott wound fiber bundle, providing high temporal resolution that allows the lobe dynamics to be resolved between ELMs and across ELM suppression onset. Furthermore, these measurements are used to study the heat and particle flux in 3D magnetic fields and to validate models for the plasma response to RMPs.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Magnetic-Field-Response Measurement-Acquisition System

A measurement-acquisition system uses magnetic fields to power sensors and to acquire measurements from sensors. The system alleviates many shortcomings of traditional measurement-acquisition systems, which include a finite number of measurement channels, weight penalty associated with wires, use limited to a single type of measurement, wire degradation due to wear or chemical decay, and the logistics needed to add new sensors. Eliminating wiring for acquiring measurements can alleviate potential hazards associated with wires, such as damaged wires becoming ignition sources due to arcing. The sensors are designed as electrically passive inductive-capacitive or passive inductive-capacitive-resistive circuits that produce magnetic-field-responses. One or more electrical parameters (inductance, capacitance, and resistance) of each sensor can be variable and corresponds to a measured physical state of interest. The magnetic-field- response attributes (frequency, amplitude, and bandwidth) of the inductor correspond to the states of physical properties for which each sensor measures. For each sensor, the measurement-acquisition system produces a series of increasing magnetic-field harmonics within a frequency range dedicated to that sensor. For each harmonic, an antenna electrically coupled to an oscillating current (the frequency of which is that of the harmonic) produces an oscillating magnetic field. Faraday induction via the harmonic magnetic fields produces an electromotive force and therefore a current in the sensor. Once electrically active, the sensor produces its own harmonic magnetic field as the inductor stores and releases magnetic energy. The antenna of the measurement- acquisition system is switched from a transmitting to a receiving mode to acquire the magnetic-field response of the sensor. The rectified amplitude of the received response is compared to previous responses to prior transmitted harmonics, to ascertain if the measurement system has detected a response inflection. The "transmit-receive-compare" of sequential harmonics is repeated until the inflection is identified. The harmonic producing the amplitude inflection is the sensor resonant frequency. Resonant frequency and response amplitude are stored and then correlated to calibration data.

Woodward, Stanley E.↗

Laser spectroscopy of indium Rydberg atom bunches by electric field ionization

This work reports on the application of a novel electric field-ionization setup for high-resolution laser spectroscopy measurements on bunched fast atomic beams in a collinear geometry. In combination with multi-step resonant excitation to Rydberg states using pulsed lasers, the field ionization technique demonstrates increased sensitivity for isotope separation and measurement of atomic parameters over previous non-resonant laser ionization methods. The setup was tested at the Collinear Resonance Ionization Spectroscopy experiment at ISOLDE-CERN to perform high-resolution measurements of transitions in the indium atom from the 5s 2 5d 2 D 5/2 and 5s 2 5d 2 D 3/2 states to 5s 2 np 2 P and 5s 2 nf 2 F Rydberg states, up to a principal quantum number of n=72 . The extracted Rydberg level energies were used to re-evaluate the ionization potential of the indium atom to be 46,670.107(4)cm -1 . The nuclear magnetic dipole and nuclear electric quadrupole hyperfine structure constants and level isotope shifts of the 5s 2 5d 2 D 5/2 and 5s 2 5d 2 D 3/2 states were determined for 113,115 In. The results are compared to calculations using relativistic coupled-cluster theory. A good agreement is found with the ionization potential and isotope shifts, while disagreement of hyperfine structure constants indicates an increased importance of electron correlations in these excited atomic states. With the aim of further increasing the detection sensitivity for measurements on exotic isotopes, a systematic study of the field-ionization arrangement implemented in the work was performed at the same time and an improved design was simulated and is presented. The improved design offers increased background suppression independent of the distance from field ionization to ion detection.

74 ATOMIC AND MOLECULAR PHYSICS↗

Prospects for detecting UF6 hydrolysis intermediates by mass spectrometry, resonance Raman, and NQR spectroscopy

Simulations are performed to consider several spectrometric and spectroscopic candidates for elucidating the mechanism of the hydrolysis of uranium hexafluoride (UF6). This study is among the first to benchmark the def-mTZVP basis sets for actinide-containing molecules, and it is shown to be a suitable basis set for surveying geometrical structures and vibrational spectra when used in conjunction with density functional theory. An experiment is proposed coupling mass spectrometric ion selection with vibrational spectroscopy, and supporting infrared and Raman spectral simulations demonstrate that ionization blue-shifts bands and can change their qualitative features. Ultraviolet resonance Raman is shown to have good prospects for discriminating U–O–U bridged intermediates, evidence for which was observed recently [L. E. McNamara et al., J. Phys. Chem. A 130, 775–786 (2026)]. As a more speculative approach, we also consider the prospect of addressing 233U or 235U nuclei by quadrupole resonance (NQR) spectroscopy for assigning early stage intermediate complexes. In doing so, we provide a first order-of-magnitude estimate for the collision-induced NQR signal for the UF6 dimer, which is of interest for the interpretation of a fast decoherence time observed in liquid-phase nuclear magnetic resonance. Having provided critical insights into the formation and stability of UF6 hydrolysis intermediates in previous studies, this computational spectroscopy survey is expected to help guide and expedite future laboratory campaigns.

Lutz, Jesse J. [Center for Computing Research, San↗

Magnetic Interactions on Oxide Ferromagnet/Ferromagnetic Intermetallide Interface

The magnetic properties of heterostructures consisting of two films are studied. The upper layer involves rare-earth intermetallic nanostructured superlattices consisting of exchange-coupled layers (TbCo{sub 2}/FeCo){sub n} (TCFC), and the lower layer includes either epitaxial manganite La{sub 0.7}Sr{sub 0.3}MnO{sub 3} (LSMO) with optimum strontium doping or an epitaxial film of an yttrium–iron garnet Y{sub 3}Fe{sub 5}O{sub 12} (YIG) with a Bi additive. TCFC is a ferromagnet having high Curie temperature and provides controllable induced magnetic anisotropy. Experimental studies showed that the interlayer interaction of the TCFC/LSMO heterostructure is antiferromagnetic. There was an increase in the FMR line width in the structures due to the flow of a spin current through the interface between two films. There was electric voltage in the TCFC/YIG heterostructure induced in the TCFC intermetallide film, due to an inverse spin Hall effect under ferromagnetic resonance conditions.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Spin Dynamics of Quintet and Triplet States Resulting from Singlet Fission in Oriented Terrylenediimide and Quaterrylenediimide Films

Singlet fission in organic semiconductors provides an important opportunity to study high-spin states in electronically coupled chromophores. Photoexcitation of oriented, crystalline films of N,N-bis(pentadec-8-yl)terrylene-3,4:11,12-bis(dicarboximide) (TDI) and N,N-bis (pentadec-8-yl)quaterrylene-3,4:13,14-bis(dicarboximide) (QDI) result in the formation of the correlated triplet pair quintet state, 5 (T 1 T 1 ) and its subsequent dissociation into two triplet (T-1) excitons. Time-resolved electron paramagnetic resonance (TREPR) spectroscopy and X-ray crystallography are used to show that the orientation dependence of 5 (T 1 T 1 ) spin dynamics is retained as it dissociates into two T 1 excitons, while such information is lost in a randomly oriented sample. In addition, the spin dynamics depend on how the molecules are oriented relative to the external applied magnetic field. Dissociation of 5 (T 1 T 1 ) to form two T 1 excitons is more efficient in TDI and leads to a longer T-1 lifetime than in QDI, making TDI a more viable candidate for photovoltaic applications. Since QDI readily forms a highly oriented film, and the lifetime of its 5 (T 1 T 1 ) state is longer than that of TDI, it may be a good candidate for quantum information science applications that require the generation of a quantum- entangled, four-spin state.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

NMR evidence for inhomogeneous nematic fluctuations in BaFe 2 ( As 1 - x P x ) 2

We present evidence for nuclear spin-lattice relaxation driven by glassy nematic fluctuations in isovalent P-doped BaFe 2 As 2 single crystals. Both the 75 As and 31 P sites exhibit a stretched-exponential relaxation similar to the electron-doped systems. By comparing the hyperfine fields and the relaxation rates at these sites we find that the As relaxation cannot be explained solely in terms of magnetic spin fluctuations. We demonstrate that nematic fluctuations couple to the As nuclear quadrupolar moment and can explain the excess relaxation. Lastly, these results suggest that glassy nematic dynamics are a common phenomenon in the iron-based superconductors.

36 MATERIALS SCIENCE↗

Interaction of Rydberg atoms in circular states with the alkaline-earth Ca(4s{sup 2}) and Sr(5s{sup 2}) atoms

The resonant mechanism of interaction of alkaline-earth atoms having a low electron affinity to Rydberg atoms in circular (l = vertical bar m vertical bar = n–1) and near-circular states has been studied. To describe the dynamics of resonant processes accompanied by nonadiabatic transitions between ionic and Rydberg covalent terms of a quasimolecule, an approach based on the integration of coupled equations for the probability amplitudes has been developed taking into account the possibility of the decay of an anion in the Coulomb field of the positive ionic core of a highly excited atom. The approach involves the specific features of the problem associated with the structure of the wavefunction of a Rydberg electron in states with high orbital angular momenta l ∼ n–1. This approach provides a much more accurate description of the dynamics of electronic transitions at collisions between atoms than that within the modified semiclassical Landau–Zener model. In addition, this approach makes it possible to effectively take into account many channels of the problem. The cross sections for resonant quenching of Rydberg states of the Li(nlm) atom with given principal n, orbital l = n–1, and magnetic m quantum numbers at thermal collisions with the Ca(4s{sup 2}) and Sr(5s{sup 2}) atoms have been calculated. The dependences of the results on n, m, and angle α between the relative velocity of the atoms and the normal to the plane of the orbit of the Rydberg electron have been obtained. The influence of orientational effects on the efficiency of the collisional destruction of circular and near-circular states has been studied. The results indicate a higher stability of such states to their perturbations by neutral particles as compared to usually studied nl states with low values of l (l ≪ n)

74 ATOMIC AND MOLECULAR PHYSICS↗

Towards the specification of consecutive steps in macromolecular lignin assembly

When Pinus taeda cell suspension cultures are exposed to 8% sucrose solution, the cells undergo significant intracellular disruption, irregular wall thickening/lignification with concomitant formation of an 'extracellular lignin precipitate. However, addition of potassium iodide (KI), an H202 scavenger, inhibits this lignification response, while the ability to synthesize the monolignols, p-coumaryl and coniferyl alcohols, is retained. Lignin synthesis (i.e. polymerization) is thus temporarily correlated with H202 generation, strongly implying a regulatory role for the latter. Time course analyses of extracellular metabolites leading up to polymer formation reveal that coniferyl alcohol, but not p-coumaryl alcohol, undergoes substantial coupling reactions to give various lignans. Of these, the metabolites, dihydrodehydrodiconiferyl alcohol, shonanin (divanillyl tetrahydrofuran) and its apparent aryl tetralin derivative, cannot be explained simply on the basis of phenolic coupling. It is proposed that these moieties are the precursors of so-called reduced substructures in the lignin macromolecule. This adds a new perspective to the lignin assembly mechanism.

Non-NASA Center↗