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At least 487 records · Page 27

Feed Structure For Antennas

A novel feed structure, for an antenna having a resonant electric field structure, comprising a patch element, an integrated circuit attached to the patch element, at least one inner conductor electrically connected to and terminating at the integrated circuit on a first end of the at least one inner conductor, wherein the at least one inner conductor extends through and is not electrically connected to the patch element, and wherein the at least one inner conductor is available for electrical connectivity on a second end of the at least one inner conductor, and an outer conductor electrically connected to and terminating at the patch element on a first end of the outer conductor, wherein the outer conductor is available for electrical connectivity on a second end of the outer conductor, and wherein the outer conductor concentrically surrounds the at least one inner conductor from the second end of the at least one inner conductor available for electrical connectivity to the first end of the outer conductor terminating at the patch element.

Patrick W Fink↗

A Compact, Broadband Antenna for Planetary Surface-to-Surface Wireless Communications

The Compact Microstrip Monopole Antenna (CMMA) is a novel antenna design that combines a microstrip patch antenna with a three-dimensional structure to attain a highly directive, broadband, compact antenna. A Tri-Lobed Patch (TLP) was designed to minimize the patch's area while reducing the antenna's operating frequency. A Grounding Wall (GW) connects the patch to the ground plane and a Vertical Enclosure Wall (VEW) extends up away from portions of the patch's perimeter. This VEW supplies the antenna with a higher directivity in the radial direction as well as reduces the operating frequency. The CMMA was designed to operate at 2.23 GHz, but experimental results have shown this antenna resonates at 2.05 GHz which is on the order of approximately Lambda(sub o)/11.6 with respect to the antenna's largest dimension, with a directivity and bandwidth of 6.0 dBi, and 130 MHz (6.3 percent), respectively. This miniature, radially emitting antenna makes the CMMA attractive for planetary-based surface-to-surface communications.

Barr, Philip↗

Reflector Surface Error Compensation in Dual-Reflector Antennas

By probing the field on a small subreflector at a minimal number of points, the main reflector surface errors can be obtained and subsequently used to design a phase-correction subreflector that can compensate for main reflector errors. The compensating phase-error profile across the subreflector can be achieved either by a surface deformation or by the use of an array of elements such as patch antennas that can cause a phase shift between the incoming and outgoing fields. The second option is of primary interest here, but the methodology can be applied to either case. The patch array is most easily implemented on a planar surface. Therefore, the example of a flat subreflector and a parabolic main reflector (a Newtonian dual reflector system) is considered in this work. The subreflector is assumed to be a reflector array covered with patch elements. The phase variation on a subreflector can be detected by a small number of receiving patch elements (probes). By probing the phase change at these few selected positions on the subreflector, the phase error over the entire surface can be recovered and used to change the phase of all the patch elements covering the subreflector plane to compensate for main reflector errors. This is accomplished by using a version of sampling theorem on the circular aperture. The sampling is performed on the phase-error function on the circular aperture of the main reflector by a method developed using Zernike polynomials. This method is based upon and extended from a theory previously proposed and applied to reflector aperture integration. This sampling method provides for an exact retrieval of the coefficients of up to certain orders in the expansion of the phase function, from values on a specifically calculated set of points in radial and azimuthal directions in the polar coordinate system, on the circular reflector aperture. The corresponding points on the subreflector are then obtained and, by probing the fields at these points, a set of phase values is determined that is then transferred back to the main reflector aperture for recovering the phase function. Once this function is recovered, the corresponding phase function on the subreflector is calculated and used to compensate for main reflector surface errors. In going back and forth between sub and main reflectors, geometrical (ray) optics is employed, which even though it ignores edge diffraction and other effects, is shown to be accurate for phase recovery.

Jamnejad, Vahraz↗

Mechanical and Vibration Testing of Carbon Fiber Composite Material with Embedded Piezoelectric Sensors

Piezoelectric materials have been proposed as a means of decreasing turbomachinery blade vibration either through a passive damping scheme, or as part of an active vibration control system. For polymer matrix fiber composite (PMFC) blades, the piezoelectric elements could be embedded within the blade material, protecting the brittle piezoceramic material from the airflow and from debris. Before implementation of a piezoelectric element within a PMFC blade, the effect on PMFC mechanical properties needs to be understood. This study attempts to determine how the inclusion of a packaged piezoelectric patch affects the material properties of the PMFC. Composite specimens with embedded piezoelectric patches were tested in four-point bending, short beam shear, and flatwise tension configurations. Results show that the embedded piezoelectric material does decrease the strength of the composite material, especially in flatwise tension, attributable to failure at the interface or within the piezoelectric element itself. In addition, the sensing properties of the post-cured embedded piezoelectric materials were tested, and performed as expected. The piezoelectric materials include a non-flexible patch incorporating solid piezoceramic material, and two flexible patch types incorporating piezoelectric fibers. The piezoceramic material used in these patches was Navy Type-II PZT.

Duffy, Kirsten P.↗

Achieving Accuracy Requirements for Forest Biomass Mapping: A Data Fusion Method for Estimating Forest Biomass and LiDAR Sampling Error with Spaceborne Data

The synergistic use of active and passive remote sensing (i.e., data fusion) demonstrates the ability of spaceborne light detection and ranging (LiDAR), synthetic aperture radar (SAR) and multispectral imagery for achieving the accuracy requirements of a global forest biomass mapping mission. This data fusion approach also provides a means to extend 3D information from discrete spaceborne LiDAR measurements of forest structure across scales much larger than that of the LiDAR footprint. For estimating biomass, these measurements mix a number of errors including those associated with LiDAR footprint sampling over regional - global extents. A general framework for mapping above ground live forest biomass (AGB) with a data fusion approach is presented and verified using data from NASA field campaigns near Howland, ME, USA, to assess AGB and LiDAR sampling errors across a regionally representative landscape. We combined SAR and Landsat-derived optical (passive optical) image data to identify forest patches, and used image and simulated spaceborne LiDAR data to compute AGB and estimate LiDAR sampling error for forest patches and 100m, 250m, 500m, and 1km grid cells. Forest patches were delineated with Landsat-derived data and airborne SAR imagery, and simulated spaceborne LiDAR (SSL) data were derived from orbit and cloud cover simulations and airborne data from NASA's Laser Vegetation Imaging Sensor (L VIS). At both the patch and grid scales, we evaluated differences in AGB estimation and sampling error from the combined use of LiDAR with both SAR and passive optical and with either SAR or passive optical alone. This data fusion approach demonstrates that incorporating forest patches into the AGB mapping framework can provide sub-grid forest information for coarser grid-level AGB reporting, and that combining simulated spaceborne LiDAR with SAR and passive optical data are most useful for estimating AGB when measurements from LiDAR are limited because they minimized forest AGB sampling errors by 15 - 38%. Furthermore, spaceborne global scale accuracy requirements were achieved. At least 80% of the grid cells at 100m, 250m, 500m, and 1km grid levels met AGB density accuracy requirements using a combination of passive optical and SAR along with machine learning methods to predict vegetation structure metrics for forested areas without LiDAR samples. Finally, using either passive optical or SAR, accuracy requirements were met at the 500m and 250m grid level, respectively.

Montesano, P. M.↗

Non-Intrusive, Distributed Gas Sensing Technology for Advanced Spacesuits

Chemical sensors for monitoring gas composition, including oxygen, humidity, carbon dioxide, and trace contaminants are needed to characterize and validate spacesuit design and operating parameters. This paper reports on the first prototypes of a non-intrusive gas sensing technology based on flexible sensitive patches positioned inside spacesuit prototypes and interrogated by optical fibers routed outside the suit, taking advantage of the transparent materials of the suit prototypes. The sensitive patches are based on luminescent materials whose emission parameters vary with the partial pressure of a specific gas. Patches sensitive to carbon dioxide, humidity, oxygen, and ammonia have been developed, and their preliminary characterization in the laboratory using Mark III-like helmet parts is described. The first prototype system consists of a four-channel fiber optic luminescent detector that can be used to monitor any of the selected target gases at four locations. To switch from one gas to another we replace the (disposable) sensor patches and adjust the system settings. Repeatability among sensitive patches and of sensor performance from location to location has been confirmed, assuring that suit engineers will have flexibility in selecting multiple sensing points, fitting the sensor elements into the spacesuit, and easily repositioning the sensor elements as desired. The evaluation of the first prototype for monitoring carbon dioxide during washout studies in a space suit prototype is presented.

Delgado, Jesus↗

Non-Intrusive, Distributed Gas Sensing Technology for Advanced Spacesuits

Chemical sensors for monitoring gas composition, including oxygen, humidity, carbon dioxide, and trace contaminants, are needed to characterize and validate spacesuit design and operating parameters. This paper reports on the first prototypes of a non-intrusive gas sensing technology based on flexible sensitive patches positioned inside spacesuit prototypes and interrogated via optical fibers routed outside the suit, taking advantage of the transparent materials of the suit prototypes. The sensitive patches are based on luminescent materials whose emission parameters vary with the partial pressure of a specific gas. Patches sensitive to carbon dioxide, humidity, and temperature have been developed, and their preliminary laboratory characterization in Mark III-like helmet parts is described. The first prototype system consists of a four-channel fiber optic luminescent detector that can be used to monitor any of the selected target gases at four locations. To switch from one gas to another we replace the (disposable) sensor patches and adjust the system settings. Repeatability among sensitive patches and of sensor performance from location to location has been confirmed, assuring that suit engineers will have flexibility in selecting multiple sensing points, fitting the sensor elements into the spacesuit, and easily repositioning the sensor elements as desired. The evaluation of the first prototype for monitoring carbon dioxide during washout studies in a spacesuit prototype is presented.

Delgado, Jesus↗

Numerical Investigation of Roughness Effects on Transition on Spherical Capsules

The state of the boundary layer on space re-entry vehicles significantly affects the design of the thermal protection system. However, the physical mechanism that leads to the laminar-turbulent boundary-layer transition on blunt spherical capsules remains an open question in literature. This work numerically assesses the potential of roughness-induced non-modal disturbance growth on re-entry capsules with a spherical-section forebody by optimal transient-growth theory and direct numerical simulation. Two different sets of wind-tunnel experiments are considered. Optimal transient-growth studies have been performed for the blunt capsule experiments at Mach 5.9 in the Hypersonic Ludwieg tube Braunschweig (HLB) of the Technische Universitat Braunschweig. In some of these measurements, the capsule model was equipped with a specifically designed patch of distributed micron-sized surface roughness. The transient-growth results for the HLB capsule are compared to corresponding numerical data for a Mach 6 blunt capsule experiment in the Adjustable Contour Expansion (ACE) facility of the Texas A&M University (TAMU) at lower Reynolds number. Similar trends are observed for both configurations. In particular, a rather low maximum energy gain is noted for the surface temperature conditions of the experiments. It is shown that the surface temperature dependence of the optimal transient-growth results is very similar for both capsule configurations. Moreover, the generation of stationary disturbances by well-defined roughness patches on the capsule surface is studied for the conditions of the HLB experiment using direct numerical simulations (DNS). To help explain the observed laminar-turbulent transition downstream of the roughness patch in some of the HLB capsule experiments, additional simulations were carried out to study the evolution of unsteady perturbations within the steady disturbance flow field due to the roughness patch. However, the DNS did not provide any indication of modal or non-modal disturbance growth in the wake of the roughness patch, and hence, the physical mechanism underlying the observed onset of transition remains unknown.

Hein, Stefan↗

PatchworkWave: A Multipatch Infrastructure for Multiphysics/Multiscale/Multiframe/Multimethod Simulations at Arbitrary Order

We present an extension of the PatchworkMHD code [1], itself an MHD-capable extension of thePatch-workcode [2], for which several algorithms presented here were co-developed. Its purpose is to create a“multipatch” scheme compatible with numerical simulations of arbitrary equations of motion at any dis-cretization order in space and time. In thePatchworkframework, the global simulation is comprised of anarbitrary number of moving, local meshes, or “patches”, which are free to employ their own resolution, co-ordinate system/topology, physics equations, reference frame, and in our new approach, numerical method.Each local patch exchanges boundary data with a single global patch on which all other patches residethrough a client-router-server parallelization model. In generalizingPatchworkto be compatible witharbitrary order time integration,PatchworkMHDandPatchworkWavehave significantly improved theinterpatch interpolation accuracy by removing an interpolation of interpolated data feedback present in theoriginalPatchworkcode. Furthermore, we extendPatchworkto bemultimethodby allowing multiplestate vectors to be updated simultaneously, with each state vector providing its own interpatch interpolationand transformation procedures. As such, our scheme is compatible with nearly any set of hyperbolic partialdifferential equations. We demonstrate our changes through the implementation of a scalar wave toy-modelthat is evolved on arbitrary, time dependent patch configurations at 4th order accuracy.

Dennis B Bowen↗

Assessing Organic Preservation and the Implications for Potential Biosignatures in the Bastide Member of the Séítah Formation, Jezero Crater

Introduction: Olivine has the highest CO2 trapping potential of ultramafic minerals, due to its rapid rate of dissolution and high percentage of divalent cations/unpolymerized silicate tetrahedra [1]. It generates divalent carbonates from CO2 and sequesters CO2 into the mineral matrix of the target lithology. The co-occurrence of olivine and carbonate within abraded targets from the Bastide Member of the Séítah Formation (Fm) of the Jezero crater floor [2] suggests the carbonation of olivine occurred within the mineral matrix hosted in a subsurface system. Hydrothermal origins for the subsurface system are hypothesized from orbital data [3]. This is supported by the detection of hydration features within the rock as well as the carbonate features are solely detected within the abrasion patch but not the rock’s surface. Organic preservation potential of abrasion patches: We incorporated the SHERLOC/WATSON results acquired from the Dourbes, Garde, and Quartier abrasion patches in the Séítah Fm to investigate the organomineral associations, and determine the biosignature preservation potential of these rocks. Dourbes is dominated by olivine and has minor amounts of carbonate, hydrated Ca-sulfate, and amorphous or microcrystalline silicate. Fluorescence features (330-340 nm) are detected in discrete locales and could be consistent with double ring aromatic organic molecules; yet, these features do not appear to be associated with an identified mineral phase. Dark subhedral to euhedral olivine grains within the Garde abrasion patch often co-occur with carbonate-consistent spectral signatures in all analyzed scans. The availability of Fe2+ is a known influence on olivine dissolution rates [1] and SuperCam estimates of the olivine composition (Forsterite-60 average for Sols 202-234) may thereby provide a constraint on the carbonation extent. Carbonated olivine phenocrysts within the matrix may be due to aqueous alteration, as the carbonation of nodules is consistent with observations in other hydrothermal systems and within Martian meteorites (ALH84001) [4]. In comparison, the Quartier abrasion patch represents an extensively altered endmember within the Bastide Member of the Séítah Fm. It contains a fluorescence doublet at 305/325 nm that coexists with multiple species of Na-sulfate and Mg-sulfate, Mg-carbonates, olivine [5]. Aqueous alteration and implications for habitability: The identification of primary and secondary mineral phases observed in the Bastide Member suggests the release of cations from primary ultramafic minerals through aqueous alteration. Within Garde, the carbonate detected appears to be Mg-rich and likely formed from the in situ alteration of Mg-rich olivine within the region as carbonate has only been detected within the rock via in situ analysis. Carbonates derived from abiotic and biotic reactions preserve biosignatures (i.e. indices of habitability) on Earth. The detected carbonate phase found in association with fluorescent features within the rock matrix may also indicate potential organic compounds preserved in a putative hydrothermal system. Fluorescent features (~330 nm) are unique to Garde and Dourbes, though they are co-located to carbonate signatures solely within Garde, and between the light toned minerals. Identification of these fluorescent features may be consistent with 1-2 ring aromatic compounds. The limit of detection for Raman is multiple orders of magnitude greater than the limit of detection required for fluorescence [6]. Implications for provenance: Hydrothermal systems represent disequilibrium chemical conditions that are hypothesized to have supported the emergence of life and also preserve ancient carbon within precipitated carbonates [7]. Hydrothermal system associated carbonates are capable of preserving biosignatures up to an estimated ~3.77 – 4.28 Gya [8]. Thus, carbonated olivine found within the Séítah Fm may represent a high-potential biosignature preserving environment on Mars. The formation of carbonates by an aqueous alteration process, such as carbonation of olivine is also consistent with hypotheses for carbonate within the greater regional-olivine bearing unit [2,3], which contains Garde, Dourbes, and Quartier. Acknowledgments: This work was carried out at the Jet Propulsion Laboratory, The California Institute of Technology under a contract from NASA. References: [1] Wood et al., (2019) ES&T, 6, 10. [2] Stack, K. et al., (2020) Space Sci Rev, 216, 127. [3] Tarnas, J. et al., (2021) JGR: Planets, 126, 11. [4] Steele et al., (2007) Meteorit. Planet. Sci., 42, 9. [5] Murphy, A.E. et al., (2022) LPSC [6] Bhartia et al., (2021) Space Sci Rev, 217, 58. [7] Luther (2021) GRL, 48, e2021GL094869. [8] Dodd et al., (2017) Nature, 543, 60-64

E L Cardarelli↗

A Dual Linear/Circular Polarized Wideband Flat Panel Phased Array Antenna for K/Ka-band 6U CubeSat Communications Applications

Circular polarized (CP) electromagnetic waves are preferred for space-to-space and space-to-ground satellite communications (SATCOM). CubeSats with 6U sizes (1U represents a 10 cm x 10 cm x 10 cm), that will rotate together with the Moon as it orbits Earth require high gain CP antenna systems to maintain reliable communication links. Here, we have designed an 8x8 dual linear and dual circularly polarized phased array antenna (PAA) aperture that offers 22-28 GHz bandwidth, with maximum gain of 23 dBic, and beam scanning capability of ±50o with acceptable axial ratio over all scan angles. A stacked patch topology is selected to achieve wide impedance bandwidth. Each driven patch has two via feed point locations that are connected to grounded coplanar waveguide (CPW) feed structures. By utilizing phase shifters from the Anokiwave RFICs (AWMF-0165) employed for the beamforming network (BFN), we have generated both dual linear polarization and dual circular polarization in each patch. Each driven and parasitic patch is innovatively shaped to achieve excellent isolation between two feed points which, in turn, leads to low cross polarization, high efficiency and good axial ratio over the entire bandwidth. Each chip has eight outputs which feed one 2x2 sub-array consisting of four dual linear or dual circularly polarized driven patches, simultaneously. Each 2x2 sub-array of the 8x8 array are sequentially rotated which improves axial ratio performance when the antenna operates in the dual circularly polarized mode. By utilizing a mirror effect, cross-polarized fields are also improved when operated in a dual linear polarized mode. The 8x8 array aperture is simulated taking into account the effect of the multilayer printed circuit board (PCB) stack-up of the BFN and co-simulated with the power splitter outputs and chip outputs and results are compared with only passive array performance. The performance of the antenna is still excellent when non-ideal chip performances are included in the simulation analysis. The fabricated array will be tested for radiation patterns in the Antenna and Microwave Laboratory (AML) of the San Diego State University and the NASA Glenn Research Center (GRC) spherical near field chambers. The design of the 8x8 antenna array with BFN layout is shown in Fig. 1.

5G↗

Landscape heterogeneity reduces coyote predation on white-tailed deer fawns

Coyote (Canis latrans) predation on white-tailed deer (Odocoileus virginianus) fawns in southeastern North America has led to deer population declines in some areas. Research or management efforts initiated in response to coyote predation on fawns have primarily focused on implementation of reduced antlerless deer harvest or coyote control to mitigate population declines. Vegetation characteristics may influence coyote hunting efficiency, but the potential influence of land cover at large scales in the southeastern United States is underexplored. We investigated whether mortality risk was affected by landscape characteristics within fawn home ranges for a sample of 165 fawns on the United States Department of Energy’s Savannah River Site (SRS), South Carolina, 2007–2012. We monitored fawns every 8 hours to ≥ 4 weeks of age and 1–3 times daily to 12 weeks of age. We included only surviving or coyote-predated fawns in the dataset. The most supported model describing hazard ratios included the length of edge (i.e., area where 2 land cover types joined) in fawn home ranges. Probability of coyote predation increased 1.26 times for each 968-m decrease in edge within a fawn’s simulated home range (29.1-ha circular buffer) under this model. Further, fawns with the least edge in their home ranges were >2 times more likely to be depredated by a coyote than fawns with the greatest edge availability. Support for other models was relatively low, but informative variables (e.g., mean patch fractal dimension, Shannon’s diversity index, mean forest patch size) supported a general trend that as fawn home ranges became more homogeneous and contained larger patches with less edge and fewer cover types, predation risk increased. These findings are consistent with similar work in the midwestern United States, despite landscape differences between regions. The combined weight of evidence suggests maintenance of a heterogeneous landscape consisting of relatively small dispersed patches may reduce fawn losses to coyotes. In conclusion, this information may also be used to identify areas susceptible to greater fawn predation rates across large spatial scales. However, the relatively long forestry rotation lengths and large scale of consistent forest management on the SRS are uncommon in the southeastern United States and the mechanism for the pattern we observed is unclear. Therefore, our results may not be applicable to sites with different forest management practices.

54 ENVIRONMENTAL SCIENCES↗

Isogeometric Bézier dual mortaring: The Kirchhoff–Love shell problem

Here in this paper we develop an isogeometric Bézier dual mortar method for coupling multi-patch Kirchhoff–Love shell structures. The proposed approach weakly enforces the continuity of the solution at patch interfaces through a dual mortar method and can be applied to both conforming and non-conforming discretizations. As the employed dual basis functions have local supports and satisfy the biorthogonality property, the resulting stiffness matrix is sparse. In addition, the coupling accuracy is optimal because the dual basis possesses the polynomial reproduction property. We also formulate the continuity constraints through the Rodrigues’ rotation operator which gives a unified framework for coupling patches that are intersected with G 1 continuity as well as patches that meet at a kink. Several linear and nonlinear examples demonstrated the performance and robustness of the proposed coupling techniques.

42 ENGINEERING↗

The Green's Function Model Intercomparison Project (GFMIP) Protocol

The atmospheric Green's function method is a technique for modeling the response of the atmosphere to changes in the spatial field of surface temperature. While early studies applied this method to changes in atmospheric circulation, it has also become an important tool to understand changes in radiative feedbacks due to evolving patterns of warming, a phenomenon called the “pattern effect.” To better study this method, this paper presents a protocol for creating atmospheric Green's functions to serve as the basis for a model intercomparison project, GFMIP. The protocol has been developed using a series of sensitivity tests performed with the HadAM3 atmosphere-only general circulation model, along with existing and new simulations from other models. Our preliminary results have uncovered nonlinearities in the response of the atmosphere to surface temperature changes, including an asymmetrical response to warming versus cooling patch perturbations, and a change in the dependence of the response on the magnitude and size of the patches. These nonlinearities suggest that the pattern effect may depend on the heterogeneity of warming as well as its location. These experiments have also revealed tradeoffs in experimental design between patch size, perturbation strength, and the length of control and patch simulations. The protocol chosen on the basis of these experiments balances scientific utility with the simulation time and setup required by the Green's function approach. Running these simulations will further our understanding of many aspects of atmospheric response, from the pattern effect and radiative feedbacks to changes in circulation, cloudiness, and precipitation.

54 ENVIRONMENTAL SCIENCES↗

Enhancing Turbulent Mixing and Microphysical Uniformity in a Tall Convection‐Cloud Chamber Through Idealized Heterogeneity of Boundaries

A large convection cloud chamber has been proposed for exploring aerosol–cloud–drizzle interactions under well‐controlled turbulent conditions. Recent theoretical and numerical studies suggest that a convection cloud chamber with two heated and two cooled sidewalls can significantly enhance the liquid water content and thus benefit drizzle initiation. However, a chamber with such a sidewall configuration develops stable stratification and extremely weak turbulence therein. In this study, we conduct large‐eddy simulations of a tall convection chamber with five different sidewall configurations consisting of alternating warm and cold patches. For each configuration, the total surface area of warm patches equals that of cold patches, resulting in the same expected cloud‐free supersaturation based on a flux budget model. Results show that changing the sidewall configuration, while keeping all other factors constant, can substantially enhance turbulent mixing and improve the uniformity of thermodynamic and cloud microphysical properties in the bulk region of the chamber. In addition, turbulence strength is positively correlated with liquid water content and negatively correlated with cloud droplet number concentration, consistent with theoretical predictions. Our results highlight the advantage of building a large cloud chamber using modular patches with individually controllable temperature and humidity to achieve well‐mixed conditions.

54 ENVIRONMENTAL SCIENCES↗

Programming entropy production hotspots via interaction patterning

Dissipation in soft matter and living systems is highly heterogeneous, giving rise to complex local entropy production patterns. Recent work has identified the connection between local entropy production and locally extractable amount of work. This suggests that locally produced entropy can be recovered to power nanorobots and biological machines, prompting the need for efficient strategies to modulate and fine-tune local entropy production. In this work, we propose to program entropy production hotspots by leveraging local interaction patterns and test this approach in simulations of a fluid driven through a nanopore or past an obstacle. Here, the results show that patterning the surface of the pore with a repulsive patch gives rise to an entropy production hotspot around the patch, while an attractive patch leads to an entropy production cold spot. Varying the strength of the interaction and width of the patch enables modulating the hotness and extent of the hot spot. In flows past interaction patterned-obstacles, we show that the combined effects of steric hindrance and attraction allows to program a specific entropy production map, thereby opening the door to the precise powering of nanomachines.

Desgranges, Caroline [University of Massachusetts,↗

Chromatic patchy particles: Effects of specific interactions on liquid structure

We study the structural and thermodynamic properties of patchy particle liquids, with a special focus on the role of “color,” i.e., specific interactions between individual patches. A possible experimental realization of such “chromatic” interactions is by decorating the particle patches with single-stranded DNA linkers. The complementarity of the linkers can promote selective bond formation between predetermined pairs of patches. By using MD simulations, we compare the local connectivity, the bond orientation order, and other structural properties of the aggregates formed by the “colored” and “colorless” systems. The analysis is done for spherical particles with two different patch arrangements (tetrahedral and cubic). It is found that the aggregated (liquid) phase of the “colorless” patchy particles is better connected, denser and typically has stronger local order than the corresponding “colored” one. This, in turn, makes the colored liquid less stable thermodynamically. Specifically, we predict that in a typical case the chromatic interactions should increase the relative stability of the crystalline phase with respect to the disordered liquid, thus expanding its region in the phase diagram.

77 NANOSCIENCE AND NANOTECHNOLOGY↗

Attention-Augmented Parametric Kernel Graph Neural Network (APKGNN) for Node Classification

We present a new graph neural network, the Attention-based Parametric-Kernel augmented Graph Neural Network (APKGNN), developed for node classification tasks. Despite extensive work on modeling multi-faceted relationships between connected nodes of a graph, the effect of attention on edge features mapped to relationships has not yet been analyzed through learning representation. This study derives such an attention vector by first calculating node features corresponding to endpoints of an edge and then aggregating these with extracted local intrinsic patches of a given graph to generate augmented local patch vectors. This process uses a parametric kernel based on Gaussian mixture models (GMMs) to embed local neighborhoods of the graph in local patches. The patch vectors then convolve with the above node features to produce an updated node representation. We show that this new learning representation (APKGNN) achieves higher node classification accuracy on tasks - both standard benchmarks (Cora, PubMed, Citeseer) and new experimental short text corpora where nodes correspond to text documents and words. This implementation of the GNN convolution layer outperforms state-of-the-art (SOTA) algorithms, achieving higher training, validation, and test accuracy by a significant margin on three standard benchmark data sets under both SOTA experimental settings and those for new testbeds.

Bose, Avishek↗