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At least 37 records · Page 2

Formation Flying In Highly Elliptical Orbits Initializing the Formation

In this paper several methods are examined for initializing formations in which all spacecraft start in a common elliptical orbit subsequent to separation from the launch vehicle. The tetrahedron formation used on missions such as the Magnetospheric Multiscale (MMS), Auroral Multiscale Midex (AMM), and Cluster is used as a test bed Such a formation provides full three degrees-of-freedom in the relative motion about the reference orbit and is germane to several missions. The type of maneuver strategy that can be employed depends on the specific initial conditions of each member of the formation. Single-impulse maneuvers based on a Gaussian variation-of-parameters (VOP) approach, while operationally simple and intuitively-based, work only in a limited sense for a special class of initial conditions. These 'tailored' initial conditions are characterized as having only a few of the Keplerian elements different from the reference orbit. Attempts to achieve more generic initial conditions exceed the capabilities of the single impulse VOP. For these cases, multiple-impulse implementations are always possible but are generally less intuitive than the single-impulse case. The four-impulse VOP formalism discussed by Schaub is examined but smaller delta-V costs are achieved in our test problem by optimizing a Lambert solution.

Mailhe, Laurie↗

Quantum chemical studies of a model for peptide bond formation. 3. Role of magnesium cation in formation of amide and water from ammonia and glycine

The SN2 reaction between glycine and ammonia molecules with magnesium cation Mg2+ as a catalyst has been studied as a model reaction for Mg(2+)-catalyzed peptide bond formation using the ab initio Hartree-Fock molecular orbital method. As in previous studies of the uncatalyzed and amine-catalyzed reactions between glycine and ammonia, two reaction mechanisms have been examined, i.e., a two-step and a concerted reaction. The stationary points of each reaction including intermediate and transition states have been identified and free energies calculated for all geometry-optimized reaction species to determine the thermodynamics and kinetics of each reaction. Substantial decreases in free energies of activation were found for both reaction mechanisms in the Mg(2+)-catalyzed amide bond formation compared with those in the uncatalyzed and amine-catalyzed amide bond formation. The catalytic effect of the Mg2+ cation is to stabilize both the transition states and intermediate, and it is attributed to the neutralization of the developing negative charge on the electrophile and formation of a conformationally flexible nonplanar five-membered chelate ring structure.

Magnesium/chemistry↗

Effect of Sulfur Concentration and PH Conditions on Akaganeite Formation: Understanding Akaganeite Formation Conditions in Yellowknife Bay, Gale Crater, Mars

The Chemistry and Mineralogy Instrument (CHEMIN) on board the Mars Science Laboratory (MSL) Curiosity Rover identified minor amounts of akaganeite (beta-FeOOH) at Yellowknife Bay, Mars. There is also evidence for akaganeite at other localities on Mars from the Compact Reconnaissance Imaging Spectrometer for Mars (CRISM). Akaganeite is an iron(III) hydroxide with a hollandite- like structure and Cl in its tunnels. Terrestrial akaganeite usually forms in Cl-rich environments under acidic, oxidizing conditions. Previous studies of akaganeite have revealed that akaganeite formation is affected by the presence of sulfate (hereafter denoted as S. The prediction of circumneutral pH coupled with the detection of S at Yellowknife Bay dictate that work is needed to determine how S and pH together affect akaganeite formation. The goal of this work is to study how changes in both S concentration and pH influence akaganeite precipitation. Akaganeite formation was investigated at S/Cl molar ratios of 0, 0.017, 0.083, 0.17 and 0.33 at pH 1.5, 2, and 4. Results are anticipated to provide combined S concentration and pH constraints on akaganeite formation in Yellowknife Bay and elsewhere on Mars. Knowledge of solution pH and S concentrations can be utilized in understanding microbial habitability potential on the Martian surface.

Fox, A.↗

Gully Formation at the Haughton Impact Structure (Arctic Canada) Through the Melting of Snow and Ground Ice, with Implications for Gully Formation on Mars

The formation of gullies on Mars has been the topic of active debate and scientific study since their first discovery by Malin and Edgett in 2000. Several mechanisms have been proposed to account for gully formation on Mars, from “dry” mass movement processes, release of water or brine from subsurface aquifers, and the melting of near-surface ground ice or snowpacks. In their global documentation of martian gullies, report that gullies are confined to ~27–83°S and ~28–72°N latitudes and span all longitudes. Gullies on Mars have been documented on impact crater walls and central uplifts, isolated massifs, and on canyon walls, with crater walls being the most common situation. In order to better understand gully formation on Mars, we have been conducting field studies in the Canadian High Arctic over the past several summers, most recently in summer 2018 and 2019 under the auspices of the Canadian Space Agency-funded Icy Mars Analogue Program. It is notable that the majority of previous studies in the Arctic and Antarctica, including our recent work on Devon Island, have focused on gullies formed on slopes generated by regular endogenic geological processes and in “regular” bedrock. How-ever, as noted above, meteorite impact craters are the most dominant setting for gullies on Mars. Impact craters provide an environment with diverse lithologies – including impact-generated and impact-modified rocks – and slope angle, and thus greatly variable hill slope processes could occur within a localized area. Here, we investigate the formation of gullies within the Haughton impact structure and compare them to gullies formed in unimpacted target rock in the nearby Thomas Lee Inlet

Osinski, G. R.↗

Hybrid simulations of a tangential discontinuity-driven foreshock bubble formation in comparison with a hot flow anomaly formation

Hot flow anomalies (HFAs) and foreshock bubbles (FBs) are significant foreshock transients that can accelerate particles and disturb the magnetosphere-ionosphere system. Yet, their early formation mechanisms are still not fully understood. To investigate the formation of tangential discontinuity (TD)-driven FBs and HFAs, we use 2-D local hybrid simulations where a reflected or an injected warm foreshock ion beam can interact with a TD whose half-thickness is comparable to the ion inertial scale. We show that the foreshock ions perform a partial gyration within, or across, the TD. Bulk motion differences between partially-gyrating foreshock ions and fluid-electrons lead to the generation of currents. As the trigger, these foreshock-driven currents change the magnetic field topology around the TD and force the frozen-in solar wind plasma to redistribute along with the field lines, shaping the foreshock transient. This confirms a recently proposed kinetic formation model. The extent of the magnetic field direction change across the TD within the foreshock ion gyromotion determines the current profile and thus the type of foreshock transient that forms. For a thin TD, the foreshock ions generate a current that is much stronger on the upstream side than the downstream side, forming an FB with one upstream compressional boundary. For the same foreshock ion gyroradius and magnetic shear, a thick TD yields comparable foreshock-driven currents on the upstream and downstream sides, forming an HFA with two compressional boundaries. Our study suggests that the TD thickness is one of the factors that determine the formation of FBs and HFAs

Andrew Vu↗

Mitigation and Diagnosis of Pin-Hole Formation in Polymer Electrolyte Membrane Fuel Cells

In this work, we implement a calendering technique to flatten stray fibers within the gas diffusion media, thereby mitigating pin-hole formation in the hot-pressed MEAs. We have investigated the influence of calendering on the long-term durability for several types of gas diffusion electrodes (GDEs) using a combined chemical and mechanical accelerated stress test (AST). The calendered MEAs demonstrate an average AST lifetime improvement of 77% relative to the as-fabricated MEAs.

AMR↗

Inferring the Energetics of CO 2 –Aniline Adduct Formation from Vibrational Spectroscopy

Control of atmospheric CO 2 is an important contemporary scientific and engineering challenge. Towards this goal, the reaction of CO 2 with amines to form carbamate bonds is an established method for CO 2 capture. However, controllable reversal of this reaction remains difficult and requires tuning the energetics of the carbamate bond. Through IR spectroscopy, we show that a characteristic frequency observed upon carbamate formation varies as a function of the substituent’s Hammett parameter for a family of para- substituted anilines. We present computational evidence that the vibrational frequency of the adducted CO 2 serves as a predictor of the energy of formation of the carbamate. Electron donating groups typically enhance the driving force of carbamate formation by transferring more charge to the adducted CO 2 and thus increasing the occupancy of the anti-bonding orbital in the carbon-oxygen bonds. Increased occupancy of the anti-bonding orbital within adducted CO 2 indicates a weaker bond, leading to a red shift in the characteristic carbamate frequency. As a result, our work serves the large field of CO 2 capture research where spectroscopic observables, such as IR frequencies, are more easily obtainable and can stand in as a descriptor of driving forces.

Amines↗

On the abiotic formation of amino acids. I - HCN as a precursor of amino acids detected in extracts of lunar samples. II - Formation of HCN and amino acids from simulated mixtures of gases released from lunar samples

Two studies on the abiotic formation of amino acids are presented. The first study demonstrates the role of hydrogen cyanide as a precursor of amino acids detected in extracts of lunar samples. The formation of several amino acids, including glycine, alanine, aspartic acid, and glutamic acid, under conditions similar to those used for the analysis of lunar samples is demonstrated. The second study investigates the formation of hydrogen cyanide as well as amino acids from lunar-sample gas mixtures under electrical discharge conditions. These results extend the possibility of synthesis of amino acids to planetary bodies with primordial atmospheres less reducing than a mixture of methane, ammonia, hydrogen and water.

Yuasa, S.↗

Observations of condensation nuclei in the Airborne Antarctic Ozone Experiment - Implications for new particle formation and polar stratospheric cloud formation

This paper discusses the results of the ER-2 Condensation Nucleus Counter operated in the Airborne Ozone Experiment in August, September, and October 1987, providing data on the mixing ratio of aerosol condensation nuclei (CN) with diameters between about 0.02 and 1 micron. It is shown that the vertical profile of the CN mixing ratio is closely related to that of N2O, and that, between the -71 and -53 deg latitude, the location of the minima in the CN mixing ratio profile was near the 160 ppbv N2O isopleth, indicating that the processes of mixing and subsidence, which determine the inclination of that isopleth, also strongly affect the spatial distribution of the sulfate aerosol. Evidence for new sulfate particle formation is presented and related to the amount of subsidence experienced by air parcels in the formation of the polar vortex. Concentrations of CN are compared with those of larger particles (with diameters between 0.81 micron and 9.75 microns) to study polar stratospheric cloud formation mechanisms.

Wilson, J. C.↗

Reducing Formation-Keeping Maneuver Costs for Formation Flying Satellites in Low-Earth Orbit

Several techniques are used to synthesize the formation-keeping control law for a three-satellite formation in low-earth orbit. The objective is to minimize maneuver cost and position tracking error. Initial reductions are found for a one-satellite case by tuning the state-weighting matrix within the linear-quadratic-Gaussian framework. Further savings come from adjusting the maneuver interval. Scenarios examined include cases with and without process noise. These results are then applied to a three-satellite formation. For both the one-satellite and three-satellite cases, increasing the maneuver interval yields a decrease in maneuver cost and an increase in position tracking error. A maneuver interval of 8-10 minutes provides a good trade-off between maneuver cost and position tracking error. An analysis of the closed-loop poles with respect to varying maneuver intervals explains the effectiveness of the chosen maneuver interval.

Hamilton, Nicholas↗

Hydrogen bonding to the formate ligand: Structural characterization of 2,2′:6′,2″-terpyridine zinc formate·H 2 O

Here, two polymorphs of the 2,2’:6’,2”-terpyridine zinc formate compound (terpy)Zn(O 2 CH) 2 •H 2 O have been structurally characterized by X-ray diffraction. In each case, the formate ligands coordinate via a K 1 -monodentate coordination mode and participate in hydrogen bonding interactions with water molecules. Despite this similarity, however, the polymorphs exhibit different hydrogen bonding motifs. Specifically, while one polymorph forms chains in which water molecules link adjacent (terpy)Zn(O 2 CH) 2 molecules, the other polymorph consists of discrete tetranuclear [(terpy)Zn(O 2 CH) 2 •H 2 O] 4 moieties.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Star formation in CALIFA survey perturbed galaxies – II. Star-formation histories and oxygen abundances

ABSTRACT Galaxy evolution is generally affected by tidal interactions. First, in this series, we reported several effects that suggest that tidal interactions contribute to the regulation of star formation (SF). To confirm this, we now compare stellar mass assembly histories and SF look-back time annular profiles between CALIFA survey tidally and non-tidally perturbed galaxies. We pair their respective star-forming regions at the closest stellar mass surface densities to reduce the influence of stellar mass. The assembly histories and annular profiles show statistically significant differences so that higher star-formation rates characterize regions in tidally perturbed galaxies. These regions underwent a more intense (re)activation of SF in the last 1 Gyr. Varying shapes of the annular profiles also reflect fluctuations between suppression and (re)activation of SF. Since gas-phase abundances used to be lower in more actively than in less actively star-forming galaxies, we further explore the plausible presence of metal-poor gas inflows able to dilute such abundances. The resolved relations of oxygen (O) abundance with stellar mass density and with total gas fraction show slightly lower O abundances for regions in tidally perturbed galaxies. The single distributions of O abundances statistically validate this. Moreover, from a metallicity model based on stellar feedback, the mass rate differentials (inflows−outflows) show statistically valid higher values for regions in tidally perturbed galaxies. These differentials, and the metal fractions from the population synthesis, suggest dominant gas inflows in these galaxies. This dominance and the differences in SF through time confirm the previously reported effects of tidal interactions on SF.

79 ASTRONOMY AND ASTROPHYSICS↗

PagMYB128 regulates secondary cell wall formation by direct activation of cell wall biosynthetic genes during wood formation in poplar

The biosynthesis of cellulose, lignin, and hemicelluloses in plant secondary cell walls (SCWs) is regulated by a hierarchical transcriptional regulatory network. Here, this network features orthologous transcription factors shared between poplar and Arabidopsis, highlighting a foundational similarity in their genetic regulation. However, knowledge on the discrepant behavior of the transcriptional-level molecular regulatory mechanisms between poplar and Arabidopsis remains limited. In this study, we investigated the function of PagMYB128 during wood formation and found it had broader impacts on SCW formation compared to its Arabidopsis ortholog, AtMYB103. Transgenic poplar trees overexpressing PagMYB128 exhibited significantly enhanced xylem development, with fiber cells and vessels displaying thicker walls, and an increase in the levels of cellulose, lignin, and hemicelluloses in the wood. In contrast, plants with dominant repression of PagMYB128 demonstrated the opposite phenotypes. RNA sequencing and reverse transcription – quantitative polymerase chain reaction showed that PagMYB128 could activate SCW biosynthetic gene expression, and chromatin immunoprecipitation along with yeast one-hybrid, and effector–reporter assays showed this regulation was direct. Further analysis revealed that PagSND1 (SECONDARY WALL-ASSOCIATED NAC-DOMAIN PROTEIN1) directly regulates PagMYB128 but not cell wall metabolic genes, highlighting the pivotal role of PagMYB128 in the SND1-driven regulatory network for wood development, thereby creating a feedforward loop in SCW biosynthesis.

59 BASIC BIOLOGICAL SCIENCES↗

Multidimensional Modeling of Mixture Formation in a Hydrogen-Fueled Heavy-Duty Optical Engine With Direct Injection

Hydrogen (H 2 ), as a carbon-free fuel, is considered as one of the most promising solutions to reduce the carbon footprint of hard-to-decarbonize energy and transportation sectors. As such, hydrogen-fueled internal combustion engines (H 2 ICEs) have recently been receiving increasing attention, particularly in applications such as on-road/off-road heavy-duty transport and combined heat and power. The direct injection (DI) of gaseous hydrogen into the combustion chamber offers great potential for achieving high power density and high engine efficiency, while mitigating the risk of backfire and reducing pre-ignition. However, the numerical simulation of H 2 DI system remains a formidable challenge associated with the high computational cost of reproducing compressible supersonic flow and shocks in narrow injector passages and in near-nozzle regions. In general, there is a lack of well-established and validated practices for the modeling of high-pressure H 2 DI in large-bore engines. Here, to this end, this study focuses on computational fluid dynamics (CFD) modeling of the mixture formation process in a heavy-duty optical engine employing a medium-pressure H 2 DI system. Both large eddy simulations (LES) and Reynolds Averaged Navier–Stokes (RANS) simulations are performed and evaluated against optical data. Gaseous hydrogen is injected into the combustion chamber via a centrally located outward opening hollow-cone injector at a pressure of 40 bar. Simulations are carried out for two injection timings, namely, −120 and −60 °CA. The numerical predictions for H 2 distribution in different horizontal and vertical planes during the compression stroke are systematically compared against optical data obtained through planar laser-induced fluorescence (PLIF) measurements. Overall, the LES approach using the Dynamic Structure model is found to have good predictive capabilities for the early jet penetration in terms of length and shape, as well as the later H 2 distributions. However, the unsteady RANS approach with the renormalization group $k - ϵ$ model, which is widely used by industry to model heavy-duty ICEs, significantly underpredicts the H 2 mixing, even at similar mesh resolution to that used in LES. These results indicate that there is a need for the improvement of mixing submodels within the RANS approach when applied to H 2 DI simulations.

LES↗

Investigating ultrafine aerosol turbulent fluxes during atmospheric new particle formation events

New particle formation (NPF) is an important source of atmospheric aerosols, yet quantitatively predicting its occurrence remains challenging, partly because ground-based measurements cannot capture NPF accurately if they occur in the upper atmosphere. While observations have confirmed the presence of new particles near the top of the planetary boundary layer (PBL), their origins and the direction of their vertical transport have remained ambiguous. Here, we propose and validate an analytical framework using airborne eddy-covariance (EC) and continuous wavelet transform (CWT) to directly quantify the vertical flux of newly formed particles and determine its dominant vertical transportation direction. Analyzing data from a dedicated airborne campaign over the Southern Great Plains, we observed a persistent and strong downward particle flux during NPF events, with a mean value of 133.8 cm?3 m s?¹ downward flux in the entrainment zone, whereas fluxes on non-NPF days were negligible. Our spectral analysis further confirms that these directional fluxes can be reliably captured using standard 1 Hz aerosol instrumentation. These findings suggest that new particle formation, driven by the entrainment of air from the overlying residual/stable layer during PBL growth, is a significant and potentially understudied source of boundary layer aerosols. The framework presented here provides a methodology to correctly attribute NPF events to specific altitudes, thereby improving the mechanistic understanding required for accurate atmospheric models.

Zhang, Ruoyu↗

Characterizing the Mechanisms of Ca and Mg Carbonate Ion-Pair Formation with Multi-Level Molecular Dynamics/Quantum Mechanics Simulations

The carbonate minerals of Ca and Mg are abundant throughout the lithosphere and have recently garnered significant research interest as possible long-term carbon sinks in the sequestration of atmospheric carbon dioxide. Nonetheless, an understanding of the atomic-level processes comprising their mineralization remains limited. Furthermore, we characterize and contrast the mechanisms of contact ion-pair formation in aqueous Ca and Mg carbonate systems, which represents the most fundamental step leading to the formation of their mineral solids. Utilizing multilevel embedded correlated wavefunction-based ab initio molecular dynamics/quantum mechanics simulations, we characterize not only the dynamics of these processes but also factors arising from the electronic structure of the involved species, revealing further details of the fundamentally different mechanisms for the interconversion between the contact ion-pairs and solvent-shared ion-pairs of Ca versus Mg carbonate.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Formation Process of Particles and Cloud Condensation Nuclei Over the Amazon Rainforest: The Role of Local and Remote New-Particle Formation

Understanding the formation processes of particles and cloud condensation nuclei (CCN) in pristine environments is a major challenge in accurately assessing anthropogenic radiative forcing. Here, using a state-of-the-art model that systematically simulates the chemical processes controlling new-particle formation (NPF) and multi-scale chemical transport, we find that NPF contributes ~90% of the particle number and ~80% of the CCN at 0.5% supersaturation (CCN0.5%) in the pristine Amazon boundary layer during the wet season. The corresponding contributions are only ~30% and ~20% during the dry season because of prevalent biomass burning. In both seasons, about half of the NPF-induced particles and ~85% of the NPF-induced CCN0.5% in the boundary layer originate from the long-range transport of new particles formed hundreds to thousands of kilometers away. Moreover, about 50–65% of the NPF-induced particles and 35–50% of the NPF induced CCN0.5% originate from the downward transport of new particles formed in the free troposphere.

54 ENVIRONMENTAL SCIENCES↗

Formation of a single quasicrystal upon collision of multiple grains

Abstract Quasicrystals exhibit long-range order but lack translational symmetry. When grown as single crystals, they possess distinctive and unusual properties owing to the absence of grain boundaries. Unfortunately, conventional methods such as bulk crystal growth or thin film deposition only allow us to synthesize either polycrystalline quasicrystals or quasicrystals that are at most a few centimeters in size. Here, we reveal through real-time and 3D imaging the formation of a single decagonal quasicrystal arising from a hard collision between multiple growing quasicrystals in an Al-Co-Ni liquid. Through corresponding molecular dynamics simulations, we examine the underlying kinetics of quasicrystal coalescence and investigate the effects of initial misorientation between the growing quasicrystalline grains on the formation of grain boundaries. At small misorientation, coalescence occurs following rigid rotation that is facilitated by phasons. Our joint experimental-computational discovery paves the way toward fabrication of single, large-scale quasicrystals for novel applications.

36 MATERIALS SCIENCE↗