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At least 271 records · Page 15

Non-reactive facet specific adsorption as a route to remediation of chlorinated organic contaminants

The present work quantifies metal-contaminant interactions between palladium substrates and three salient chlorinated organic contaminants, namely trichloroethylene 1,3,5-trichlorobenzene (TCB), and 3,3′,4,4′-tetrachlorobiphenyl (PCB77). Given that Pd is one of the conventional catalytically active materials known for contaminant removal, maximizing catalytic efficiency through optimal adsorption dynamics reduces the cost of remediation of contaminants that are persistent water pollutants chronically affecting public health. Adsorption efficiency analyses from all-atom molecular dynamics (MD) simulations advance the understanding of reaction mechanisms available from density functional theory (DFT) calculations to an extractable feature scale that can fit the parametric design of supported metal catalytic systems and feed into high throughput catalyst selection. Data on residence time, site-specific adsorption, binding energies, packing geometries, orientation profiles, and the effect of adsorbate size show the anomalous behaviour of organic contaminant adsorption on the undercoordinated {110} surface as compared to the {111} and {100} surfaces. The intermolecular interaction within contaminants from molecular dynamics simulation exhibits refreshing results than ordinary single molecule density functional theory calculation. Since complete adsorption and dechlorination is an essential step for chlorinated organic contaminant remediation pathways, the presented profiles provide essential information for designing efficient remediation systems through facet-controlled palladium nanoparticles.

Guo, Hao↗

Virtual Diagnostic Suite for Electron Beam Prediction and Control at FACET-II

We discuss the implementation of a suite of virtual diagnostics at the FACET-II facility currently under commissioning at SLAC National Accelerator Laboratory. The diagnostics will be used for the prediction of the longitudinal phase space along the linac, spectral reconstruction of the bunch profile, and non-destructive inference of transverse beam quality (emittance) while using edge radiation at the injector dogleg and bunch compressor locations. These measurements will be folded into adaptive feedbacks and Machine Learning (ML)-based reinforcement learning controls to improve the stability and optimize the performance of the machine for different experimental configurations. In this paper we describe each of these diagnostics with expected measurement results that are based on simulation data and discuss progress towards implementation in regular operations.

Emma, Claudio (ORCID:0000000247191831)↗

Faceted solar energy collectors

Two concepts enhance efficiency and flexibility of solar collectors: faceting collector surface and adding coloring agent to working fluid. Collector can be placed on existing structures and oriented to take advantage of position of sun. By adding coloring agent to working fluid, total absorbance can be increased and altered if required.

Segna, D. R.↗

Hinge specification for a square-faceted tetrahedral truss

A square-faceted tetrahedral truss is geometrically analyzed. Expressions are developed for single degree of freedom hinges which allow packaging of the structure into a configuration in which all members are parallel and closely packed in a square pattern. Deployment is sequential, thus providing control over the structure during deployment.

Adams, L. R.↗

Optimization of spherical facets for parabolic solar concentrators

Solar concentrator designs which employ deployable hexagonal panels are being developed for space power systems. An offset optical configuration has been developed which offers significant system level advantages over previously proposed collector designs for space applications. Optical analyses have been performed which show offset reflector intercept factors to be only slightly lower than those for symmetric reflectors with the same slope error. Fluxes on the receiver walls are asymmetric but manageable by varying the tilt angle of the receiver. Greater producibility is achieved by subdividing the hexagonal panels into triangular mirror facets of spherical contour. Optical analysis has been performed upon these to yield near-optimum sizes and radii.

White, J. E.↗

On the facet-skeletal transition of snow crystals - Experiments in high and low gravity

A laboratory investigation of the influence of air velocity on the growth of columnar ice crystals from the vapor over the range -3 to -5 C shows that the linear growth velocity increases and that columns transform to sheath crystals or needles as air velocity increases from a few cm/s to 40 cm/s. Comparison with a similar transition of plates to dendrites shows that, macroscopically, in both cases the facets sprout rounded tips at a critical velocity which is lower for higher ambient supersaturation. Studies in low gravity show that chamber scale convection under normal gravity may have significant influence on growth even in the absence of an imposed air velocity. Falling snow crystals become more skeletal in shape as they grow and fall with increasing velocity. This development depends critically on temperature (+ or - 0.5 C) and demonstrates that the snow crystal shape is even more dependent on environmental growth conditions that previously thought.

Alena, T.↗

Design of a Shape Memory Alloy deployment hinge for reflector facets

A design concept for a Shape Memory Alloy (SMA) actuated hinge mechanism for deploying segmented facet-type reflector surfaces on antenna truss structures is presented. The mechanism uses nitinol, a nickel-titanium shape memory alloy, as a displacement-force micro-actuator. An electrical current is used to resistively heat a 'plastically' elongated SMA actuator wire, causing it to contract in response to a thermally-induced phase transformation. The resulting tension creates a moment, imparting rotary motion between two adjacent panels. Mechanical stops are designed into the device to limit its range of motion and to establish positioning accuracy at the termination of deployment. The concept and its operation are discussed in detail, and an analytical dynamic simulation model is presented. The model has been used to perform nondimensionalized parametric design studies.

Anders, W. S.↗

Surface Processes of Faceted Growth

Atomic force microscopy and high precision optical interferometry allow to analyze the processes that are in the core of our present understanding of faceted crystal growth. Some of these processes will be reviewed. Recent experiments suggest that the Gibbs-Thomson Law (GTL) may not be applicable to the weakly fluctuating strongly polygonized steps, with low kink density. Propagation rate of a straight short step segment changes with the segment length much steeper than predicted by GTL. If the step fluctuations are still well developed, the typical transition length may be determined just by the radius of rounded comers of the polygonized step. If fluctuations do not have enough time to develop, the kinetic effects may be essential. Indeed, 'communications' between comers of a short straight step segment may occur and, thus, the GTL may be implemented only via kink exchange. E.g., dissolutions of this short segment at macroscopic equilibrium occurs as follows: The kinks are split from one comer as a result of fluctuations, and annihilate with kinks of the opposite sign generated by another comer. Similarly, an exchange via chain of kinks on a rough step is the mechanism to implement the GT Law. If there is a supersaturation with respect to a large crystal, the kinks not only diffuse along the step, but move back the generating comers. This 'wind' prevents communication between the comers and places upper limit supersaturation only below which GTL is applicable. Steps replace kinks in the 3D case, though, of course, another dimensionality brings about another physics. Another specific problem to think about is if fluctuations are always fast enough to provide enough kinks for linear dependence of step rate on supersaturation. Increasing azimuthal polygonization of growth hillocks is a sign of insufficient fluctuation rate. Morphological stability of vicinal faces is usually considered on the basis of mutually parallel steps. Azimuthal anisotropy and interlacing of step bunches inducing the well known bunch splitting is another challenge. Among other challenging problems are: existence of surface diffusion on the crystal/so1ution interface, step interaction in solutions, achievement of step flow modes from liquids, impurity effects. New phenomena essential in biomacromolecular crystallization is another interesting area.

Chernov, A.↗

Wind Tunnel Application of a Pressure-Sensitive Paint Technique to a Faceted Missile Model at Subsonic and Transonic Speeds

A pressure-sensitive paint (PSP) technique was applied in a wind tunnel experiment in the NASA Langley Research Center 8-Foot Transonic Pressure Tunnel to quantify the vortex-induced surface static pressures on a slender, faceted missile model at subsonic and transonic speeds. Global PSP calibrations were obtained using an in-situ method featuring the simultaneous electronically-scanned pressures (ESP) measurements. Both techniques revealed the significant influence leading-edge vortices on the surface pressure distributions. The mean error in the PSP measurements relative to the ESP data was approximately 0.6 percent at M(sub infinity)=0.70 and 2.6 percent at M(sub infinity)=0.90 and 1.20. The vortex surface pressure signatures obtained from the PSP and ESP techniques were correlated with the off-surface vortex cross-flow structures obtained using a laser vapor screen (LVS) flow visualization technique. The on-surface and off-surface techniques were complementary, since each provided details of the vortex-dominated flow that were not clear or apparent in the other.

Erickson, Gary E.↗