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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 73 records · Page 4

Plot-level rapid screening for photosynthetic parameters using proximal hyperspectral imaging

Abstract Photosynthesis is currently measured using time-laborious and/or destructive methods which slows research and breeding efforts to identify crop germplasm with higher photosynthetic capacities. We present a plot-level screening tool for quantification of photosynthetic parameters and pigment contents that utilizes hyperspectral reflectance from sunlit leaf pixels collected from a plot (~2 m×2 m) in <1 min. Using field-grown Nicotiana tabacum with genetically altered photosynthetic pathways over two growing seasons (2017 and 2018), we built predictive models for eight photosynthetic parameters and pigment traits. Using partial least squares regression (PLSR) analysis of plot-level sunlit vegetative reflectance pixels from a single visible near infra-red (VNIR) (400–900 nm) hyperspectral camera, we predict maximum carboxylation rate of Rubisco (Vc,max, R2=0.79) maximum electron transport rate in given conditions (J1800, R2=0.59), maximal light-saturated photosynthesis (Pmax, R2=0.54), chlorophyll content (R2=0.87), the Chl a/b ratio (R2=0.63), carbon content (R2=0.47), and nitrogen content (R2=0.49). Model predictions did not improve when using two cameras spanning 400–1800 nm, suggesting a robust, widely applicable and more ‘cost-effective’ pipeline requiring only a single VNIR camera. The analysis pipeline and methods can be used in any cropping system with modified species-specific PLSR analysis to offer a high-throughput field phenotyping screening for germplasm with improved photosynthetic performance in field trials.

59 BASIC BIOLOGICAL SCIENCES↗

Reviving sub-keV warm dark matter: a UVLF-based analysis

Thermal warm dark matter (WDM) particles with m WDM ≤ 1 keV are ruled out at more than 4σ by multiple observational probes, owing to the strong suppression of small-scale structure induced by early-time free-streaming. Recently, it was highlighted that a small admixture of ∼ 1% (f CDM ∼ 0.01) cold dark matter (CDM) endowed with a blue-tilted isocurvature spectrum could offset the WDM-induced suppression and relax the WDM mass bound by a factor of 𝒪(10). If viable, this “warm + cold-isocurvature” scenario would allow sub-keV WDM particles to constitute nearly the full dark matter abundance while potentially alleviating some small-scale tensions. In this work, we test this mechanism by constraining the WDM mass mWDM while marginalizing over CDM isocurvature parameters. We combine ultraviolet luminosity function measurements from the Hubble Space Telescope and James Webb Space Telescope over redshift 4 ≤ z ≤ 11 with CMB, BAO, and SNe data. For a pure WDM model, our joint analysis yields a lower bound m WDM > 1.8 keV (95% credible intervals). When CDM isocurvature is introduced at f CDM = 0.01, the limit relaxes to m WDM > 0.27 keV (95% credible intervals), reflecting a shallow degeneracy in which blue-tilted isocurvature fluctuations partially compensate for WDM suppression. These results provide new constraints on thermal WDM in the presence of CDM isocurvature fluctuations and quantify the extent to which such fluctuations can mask the small-scale signatures of light relics.

cosmological parameters from CMBR↗

Dynamic Disruption Resilience in Intermodal Transport Networks: Integrating Flow Weighting and Centrality Measures

Resilient intermodal freight networks are vital for sustaining supply chains amid increasing threats from natural hazards and cyberattacks. Transportation resilience has been widely studied; understanding how random and targeted disruptions affect structural connectivity and functional performance remains a key challenge. To address this, this study evaluates the robustness of the US intermodal freight network, which consists of rail and water modes, using a simulation-based framework that integrates graph-theoretic metrics with flow-weighted centrality measures. Disruption scenarios are examined, including random failures as well as targeted node and edge removals based on static and dynamically updated degree and betweenness centrality. To reflect more realistic conditions, flow-weighted degree centralities (WDC) and partial node degradation are considered. Two resilience indicators are used: (1) the size of the giant connected component to measure structural connectivity; and (2) flow-weighted network efficiency (NE) to assess freight mobility under disruption. The results show that progressively degrading nodes ranked by WDC to 60% of their original functionality causes a sharper decline in normalized NE, for up to approximately 45 affected nodes, than complete failure (100% loss of functionality) applied to nodes targeted by weighted betweenness centrality or selected at random. This highlights how partial degradation of high-tonnage hubs can produce disproportionately large functional losses. The findings emphasize the need for resilience strategies that go beyond network topology to incorporate freight flow dynamics.

42 ENGINEERING↗

Mn-induced spin glass behavior in metallic Ir 3 Sn 7-x Mn x

Transition metal stannides are usually semiconductors with a narrow band gap. We report experimental investigation on metallic Ir 3 Sn 7– x Mn x ( x = 0 and 0.56). Single crystal x-ray diffraction refinement indicates that Ir 3 Sn 7– x Mn x crystals form a cubic structure (space group Im 3 - m ) with the lattice parameter a = 9.362(4) Å for x = 0 and 9.328(6) Å for x = 0.56. The electrical resistivity shows metallic behavior between 2 K and 300 K with T 2 dependence at T < 30 K for x = 0, reflecting the Fermi-liquid ground state. While Ir 3 Sn 7 exhibits weak diamagnetism, partial substitution of Sn by Mn results in spin glass behavior in Ir 3 Sn 7- x Mn x below T g ~ 13 K for x = 0.56. Remarkably, an upturn in the resistivity is observed in x = 0.56 below ~2 T g , suggesting strong spin fluctuation. This fluctuation is suppressed by the application of magnetic field, which is reflected in the observation of negative magnetoresistance. The unusual properties that emerge due to Mn doping are discussed.

Physics↗

Decorated Honeycomb Lattice and Successive Magnetic Transitions of the Delafossite Derivative K 4 Ni 5 Te 3 O 16

Here, we report the synthesis and characterization of the delafossite derivative K 4 Ni 5 Te 3 O 16 , which hosts a decorated honeycomb Ni 2+ lattice. Single-crystal X-ray diffraction, electron microscopy, and neutron diffraction establish a noncentrosymmetric Pmm2 crystal structure that combines regular honeycomb units with elongated motifs formed by Ni 2+ trimers along extended edges. Magnetic susceptibility reveals strong antiferromagnetic interactions, while heat capacity measurements identify two successive magnetic transitions at 30 and 12 K. Neutron diffraction shows that these transitions correspond to a progression from partial to full long-range magnetic order on distinct Ni sites, reflecting competition among the various exchange interactions. The resulting magnetic point group, mm2.1′, inherits the lattice polarity and permits high-order magnetoelectric coupling. Consistent with this symmetry, a quadratic magnetic-field-induced polarization is experimentally observed below the magnetic ordering temperature, likely arising from exchange-driven magnetostriction coupled to the polar lattice. These results establish K 4 Ni 5 Te 3 O 16 as an interesting platform for engineering B-site ordering in delafossite derivatives to realize complex quantum magnetism and functional responses.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Universal chemomechanical design rules for solid-ion conductors to prevent dendrite formation in lithium metal batteries

Dendrite formation during electrodeposition while charging lithium metal batteries compromises their safety. Although high-shear-modulus ( G s ) solid-ion conductors (SICs) have been prioritized to resolve the pressure-driven instabilities that lead to dendrite propagation and cell shorting, it is unclear whether these or alternatives are needed to guide uniform lithium electrodeposition, which is intrinsically density-driven. Here, we show that SICs can be designed within a universal chemomechanical paradigm to access either pressure-driven dendrite-blocking or density-driven dendrite-suppressing properties, but not both. This dichotomy reflects the competing influence of the SIC’s mechanical properties and the partial molar volume of Li + $(V_{\mathrm{Li}^+})$ relative to those of the lithium anode ( G Li and V Li ) on plating outcomes. Within this paradigm, we explore SICs in a previously unrecognized dendrite-suppressing regime that are concomitantly ‘soft’, as is typical of polymer electrolytes, but feature an atypically low $(V_{\mathrm{Li}^+})$ that is more reminiscent of ‘hard’ ceramics. Li plating (1 mA cm -2 ; T = 20 °C) mediated by these SICs is uniform, as revealed using synchrotron hard X-ray microtomography. As a result, cell cycle life is extended, even when assembled with thin Li anodes (~30 µm) and either high-voltage NMC-622 cathodes (1.44 mAh cm -2 ) or high-capacity sulfur cathodes (3.02 mAh cm -2 ).

25 ENERGY STORAGE↗

High Fidelity Simulations of a Methane-Oxygen Rotating Detonation Rocket Engine

The rotating detonation combustor (RDC) is an important realization of pressure gain combustion for practical applications. The RDC system is characterized by a highly unsteady flow field, with multiple reflected pressure waves following the strong detonations and the existence of partially-burnt gases entrained within the detonation annulus during the injector recovery process. While experimental efforts have provided macroscopic properties of an RDC with a given fuel-oxidizer mixture and geometry, limited optical access and reduced lifespan of flow-field diagnostic equipment constrain understanding of the mechanisms that lend to wave stability, controllability, and sustainability. To this end, high-fidelity numerical simulations of the Air Force Research Laboratory (AFRL) methane-oxygen rotating detonation rocket engine (RDRE) are performed to provide detailed insight into the detonation physics and anomalous behavior within the combustor. The results highlight the merit of high-fidelity numerical studies in analyzing the combustion processes and injector dynamics of a complex combustion system. The simulations capture the general wave behavior observed within the experimental studies. Three different operating conditions, with varying global equivalence ratio and system mass flow rate, are considered: (1) baseline configuration, (2) high equivalence ratio, and (3) high mass flow rate. The high mass flow rate case results in increased detonation wave strength whereas the high equivalence ratio results in increased deflagrative heat release. The high equivalence ratio case results in chaotic behavior with two pairs of counter-rotating detonation waves, whereas a single pair of co-rotating waves is observed in the baseline and high mass flow rate cases. Further, parasitic combustion of the reactant mixture ahead of the detonation wave diminishes its strength and reduces propagation speed to approximately 50-60\% of the Chapman-Jouguet (CJ) condition. In this work, a detailed analysis of the detonation wave behavior, injector dynamics, and the statistics of combustion parameters are presented.

Prakash, Supraj↗

Recovering cavity effects in corrugated organic light emitting diodes

Cavity effects play an important role in determining the out-coupling efficiency of an OLED. By fabricating OLEDs on corrugated substrates, the waveguide and SPP modes can be extracted by diffraction. However, corrugation does not always lead to an enhancement in out-coupling efficiency due to the reduction of the electrode reflectance and hence the cavity effects. Based on the results of our rigorous couple-wave analysis (RCWA) simulation, we found that the cavity effects can be partially recovered using a low index Teflon layer inserted between the ITO anode and the substrate due to the enhancement of the reflectance of the corrugated electrodes. To verify the simulation results, we fabricated corrugated OLEDs having a low-index Teflon interlayer with an EQE of 36%, which is 29% higher than an optimized planar OLED. By experimentally measuring the OLED air mode dispersion, we confirm the cavity emission of a corrugated OLED is enhanced by the low index layer.

36 MATERIALS SCIENCE↗

Correcting thermal-emission-induced detector saturation in infrared spectroscopy

We found that temperature-dependent infrared spectroscopy measurements (i.e., reflectance or transmittance) using a Fourier-transform spectrometer can have substantial errors, especially for elevated sample temperatures and collection using an objective lens. These errors can arise as a result of partial detector saturation due to thermal emission from the measured sample reaching the detector, resulting in nonphysical apparent reduction of reflectance or transmittance with increasing sample temperature. Here, we demonstrate that these temperature-dependent errors can be corrected by implementing several levels of optical attenuation that enable convergence testing of the measured reflectance or transmittance as the thermal-emission signal is reduced, or by applying correction factors that can be inferred by looking at the spectral regions where the sample is not expected to have a substantial temperature dependence.

47 OTHER INSTRUMENTATION↗

Data from Unique Contributions of Chlorophyll and Nitrogen to Predict Crop Photosynthetic Capacity from Leaf Spectroscopy

The photosynthetic capacity or the CO2-saturated photosynthetic rate (Vmax), chlorophyll, and nitrogen are closely linked leaf traits that determine C4 crop photosynthesis and yield. Accurate, timely, rapid, and non-destructive approaches to predict leaf photosynthetic traits from hyperspectral reflectance are urgently needed for high-throughput crop monitoring to ensure food and bioenergy security. Therefore, this study thoroughly evaluated the state-of-the-art physically based radiative transfer models (RTMs), data-driven partial least squares regression (PLSR), and generalized PLSR (gPLSR) models to estimate leaf traits from leaf-clip hyperspectral reflectance, which was collected from maize (Zea mays L.) bioenergy plots with diverse genotypes, growth stages, treatments with nitrogen fertilizers, and ozone stresses in three growing seasons. The results show that leaf RTMs considering bidirectional effects can give accurate estimates of chlorophyll content (Pearson correlation r=0.95), while gPLSR enabled retrieval of leaf nitrogen concentration (r=0.85). Using PLSR with field measurements for training, the cross-validation indicates that Vmax can be well predicted from spectra (r=0.81). The integration of chlorophyll content (strongly related to visible spectra) and nitrogen concentration (linked to shortwave infrared signals) can provide better predictions of Vmax (r=0.71) than only using either chlorophyll or nitrogen individually. This study highlights that leaf chlorophyll content and nitrogen concentration have key and unique contributions to Vmax prediction.

Biomass Analytics↗

Quantifying Leaf Chlorophyll Concentration of Sorghum from Hyperspectral Data Using Derivative Calculus and Machine Learning

Leaf chlorophyll concentration (LCC) is an important indicator of plant health, vigor, physiological status, productivity, and nutrient deficiencies. Hyperspectral spectroscopy at leaf level has been widely used to estimate LCC accurately and non-destructively. This study utilized leaf-level hyperspectral data with derivative calculus and machine learning to estimate LCC of sorghum. We calculated fractional derivative (FD) orders starting from 0.2 to 2.0 with 0.2 order increments. Additionally, 43 common vegetation indices (VIs) were calculated from leaf spectral reflectance factor to make comparisons with reflectance-based data. Within the modeling pipeline, three feature selection methods were assessed: Pearson’s correlation coefficient (PCC), partial least squares based variable importance in the projection (VIP), and random forest-based mean decrease impurity (MDI). Finally, we used partial least squares regression (PLSR), random forest regression (RFR), support vector regression (SVR), and extreme learning regression (ELR) to estimate the LCC of sorghum. Results showed that: (1) increasing derivative order can show improved model performance until certain order for reflectance-based analysis; however, it is inconclusive to state that a particular order is optimal for estimating LCC of sorghum; (2) VI-based modeling outperformed derivative augmented reflectance factor-based modeling; (3) mean decrease impurity was found effective in selecting sensitive features from large feature space (reflectance-based analysis), whereas simple Pearson’s correlation coefficient worked better with smaller feature space (VI-based analysis); and (4) SVR outperformed all other models within reflectance-based analysis; alternatively, ELR with VIs from original reflectance yielded slightly better results compared to all other models.

47 OTHER INSTRUMENTATION↗

Airborne hyperspectral imaging of nitrogen deficiency on crop traits and yield of maize by machine learning and radiative transfer modeling

Nitrogen is an essential nutrient that directly affects plant photosynthesis, crop yield, and biomass production for bioenergy crops, but excessive application of nitrogen fertilizers can cause environmental degradation. To achieve sustainable nitrogen fertilizer management for precision agriculture, there is an urgent need for nondestructive and high spatial resolution monitoring of crop nitrogen and its allocation to photosynthetic proteins as that changes over time. Here, we used visible to shortwave infrared (400–2400 nm) airborne hyperspectral imaging with high spatial (0.5 m) and spectral (3–5 nm) resolutions to accurately estimate critical crop traits, i.e., nitrogen, chlorophyll, and photosynthetic capacity (CO 2 -saturated photosynthesis rate, V max,27 ), at leaf and canopy scales, and to assess nitrogen deficiency on crop yield. We conducted three airborne campaigns over a maize (Zea mays L.) field during the growing season of 2019. Physically based soil-canopy Radiative Transfer Modeling (RTM) and data-driven approaches i.e. Partial-Least Squares Regression (PLSR) were used to retrieve crop traits from hyperspectral reflectance, with ground truth of leaf nitrogen, chlorophyll, V max,27 , Leaf Area Index (LAI), and harvested grain yield. To improve computational efficiency of RTMs, Random Forest (RF) was used to mimic RTM simulations to generate machine learning surrogate models RTM-RF. The results show that prior knowledge of soil background and leaf angle distribution can significantly reduce the ill-posed RTM retrieval. RTM-RF achieved a high accuracy to predict leaf chlorophyll content (R 2 = 0.73) and LAI (R 2 = 0.75). Meanwhile, PLSR exhibited better accuracy to predict leaf chlorophyll content (R 2 = 0.79), nitrogen concentration (R 2 = 0.83), nitrogen content (R 2 = 0.77), and V max,27 (R 2 = 0.69) but required measured traits for model training. We also found that canopy structure signals can enhance the use of spectral data to predict nitrogen related photosynthetic traits, as combining RTM-RF LAI and PLSR leaf traits well predicted canopy-level traits (leaf traits × LAI) including canopy chlorophyll (R 2 = 0.80), nitrogen (R 2 = 0.85) and V max,27 (R 2 = 0.82). Compared to leaf traits, we further found that canopy-level photosynthetic traits, particularly canopy V max,27 , have higher correlation with maize grain yield. This study highlights the potential for synergistic use of process-based and data-driven approaches of hyperspectral imaging to quantify crop traits that facilitate precision agricultural management to secure food and bioenergy production.

54 ENVIRONMENTAL SCIENCES↗

North Atlantic Oscillation response in GeoMIP experiments G6solar and G6sulfur: why detailed modelling is needed for understanding regional implications of solar radiation management

The realization of the difficulty of limiting global-mean temperatures to within 1.5 or 2.0°C above pre-industrial levels stipulated by the 21st Conference of Parties in Paris has led to increased interest in solar radiation management (SRM) techniques. Proposed SRM schemes aim to increase planetary albedo to reflect more sunlight back to space and induce a cooling that acts to partially offset global warming. Under the auspices of the Geoengineering Model Intercomparison Project, we have performed model experiments whereby global temperature under the high-forcing SSP5-8.5 scenario is reduced to follow that of the medium-forcing SSP2-4.5 scenario. Two different mechanisms to achieve this are employed: the first via a reduction in the solar constant (experiment G6solar) and the second via modelling injections of sulfur dioxide (experiment G6sulfur) which forms sulfate aerosol in the stratosphere. Results from two state-of-the-art coupled Earth system models (UKESM1 and CESM2-WACCM6) both show an impact on the North Atlantic Oscillation (NAO) in G6sulfur but not in G6solar. Both models show a persistent positive anomaly in the NAO during the Northern Hemisphere winter season in G6sulfur, suggesting an increase in zonal flow and an increase in North Atlantic storm track activity impacting the Eurasian continent and leading to high-latitude warming over Europe and Asia. These results are broadly consistent with previous findings which show similar impacts from stratospheric volcanic aerosol on the NAO and emphasize that detailed modelling of geoengineering processes is required if accurate impacts of SRM effects are to be simulated. Differences remain between the two models in predicting regional changes over the continental USA and Africa, suggesting that more models need to perform such simulations before attempting to draw any conclusions regarding potential continental-scale climate change under SRM.

36 MATERIALS SCIENCE↗

Spectroscopy of Mesons Produced by Linearly Polarized Photons

A formalism for the experimental analysis of mesons produced by a beam of linearly polarized photons is presented. This formalism introduces a more general use of the reflectivity operator. The goal is to recognize resonances in cross-sections, their associated quantum numbers, and production mechanisms by performing partial wave analysis of multiple-meson final states.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Critical Role of Framework Flexibility and Disorder in Driving High Ionic Conductivity in LiNbOCl 4

Understanding Li-ion transport is key for the rational design of superionic solid electrolytes with exceptional ionic conductivities. LiNbOCl 4 is reported to be one of the most highly conducting materials in the recently realized new class of soft oxyhalide solid electrolytes, exhibiting an ionic conductivity of ~11 mS·cm -1 . Here, we apply X-ray/neutron diffraction and pair distribution function analysis - coupled with density functional theory/ab-initio molecular dynamics - to determine a structural model that provides a rationale for the high conductivity that we observe experimentally in this nanocrystalline solid. We show that it arises from unusually high framework flexibility at room temperature. This owes to isolated 1-D [NbOCl 4 ] - anionic chains which exhibit energetically favorable orientational disorder that is - in turn - correlated to multiple, disordered and equi-energetic Li + sites in the lattice. As the Li-ions sample the 3-D energy landscape with a fast predicted diffusion coefficient of 5.1 x 10 -7 cm 2 /s at room temperature (σ i calc = 17.4 mS·cm -1 ), the inorganic polymer chains can reorient or vice versa. The activation energy barrier for Li migration through the frustrated energy landscape is especially reduced by the elastic nature of the NbO 2 Cl 4 octahedra evident from very widely dispersed Cl-Nb-Cl bond angles in AIMD snapshots at 300 K. The phonon spectra are predominantly influenced by Cl vibrations in the low energy range, and there is strong overlap between the framework (Cl, Nb) and Li partial pDOS in the region between 1.2 - 4.0 THz. The framework flexibility is also reflected in a relatively low bulk modulus of 22 GPa. In conclusion, our findings pave the way for investigation of future “flex-ion” inorganic solids and open up a new direction for the design of high conductivity, soft solid electrolytes for all-solid-state batteries.

AIMD↗

Heavy Versus Light Lanthanide Selectivity for Graphene Oxide Films is Concentration Dependent

Rare earths are important materials in various technologies such as catalysis and optoelectronics. Graphene oxide (GO) is a promising material for separation applications, including the isolation of lanthanides from complex mixtures. Previous works using fatty acid monolayers have demonstrated preferential heavy versus light lanthanide adsorption, which has been attributed to differences in lanthanide ion size. In this work, we used interfacial X-ray fluorescence measurements to reveal that GO thin films at the air/water interface have no lanthanide selectivity for dilute subphases. However, at high subphase concentrations, ~8 times more Lu is adsorbed than La. By comparing the GO results with an ideal monolayer with a carboxylic acid headgroup, arachidic acid (AA), we demonstrate that the number of Lu ions adsorbed to GO is significantly higher than the number expected to compensate for the surface charge. Vibrational sum frequency generation (SFG) spectroscopy results on both GO thin films and AA monolayers reveal a red-shifted SFG signal in the OH region, which we attribute to partial dehydration of the adsorbed ions and carboxylic acid headgroups. Liquid surface X-ray reflectivity data show that the GO thin film structure does not significantly change between the very dilute and concentrated subphases. We speculate that the functional groups of both GO and AA facilitate cation dehydration, which is essential for ion adsorption. Heavy lanthanide Lu has stronger ion–ion correlations that can overcome the electrostatic repulsion between cations at higher concentrations compared to light lanthanide La, meaning GO and AA can exhibit apparent overcharge with Lu. Lastly, the layered structure of the GO films and reactive chemical nature of GO itself can accommodate ion adsorption.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Reciprocal swimming at intermediate Reynolds number

In Stokes flow, Purcell's scallop theorem forbids objects with time-reversible (reciprocal) swimming strokes from moving. In the presence of inertia, this restriction is eased and reciprocally deforming bodies can swim. A number of recent works have investigated dimer models that swim reciprocally at intermediate Reynolds numbers Re≈1–1000. These show interesting results (e.g. switches of the swim direction as a function of inertia) but the results vary and seem to be case specific. Here, in this work, we introduce a general model and investigate the behaviour of an asymmetric spherical dimer of oscillating length for small-amplitude motion at intermediate Re. In our analysis we make the important distinction between particle and fluid inertia, both of which need to be considered separately. We asymptotically expand the Navier–Stokes equations in the small-amplitude limit to obtain a system of linear partial differential equations. Using a combination of numerical (finite element) and analytical (reciprocal theorem, method of reflections) methods we solve the system to obtain the dimer's swim speed and show that there are two mechanisms that give rise to motion: boundary conditions (an effective slip velocity) and Reynolds stresses. Each mechanism is driven by two classes of sphere–sphere interactions, between one sphere's motion and (1) the oscillating background flow induced by the other's motion, and (2) a geometric asymmetry induced by the other's presence. We can thus unify and explain behaviours observed in other works. Our results show how sensitive, counterintuitive and rich motility is in the parameter space of finite inertia of particles and fluid.

42 ENGINEERING↗