Design and Characterization of a Thrust Vane Position Controller for Exhaust Flow Deflection TVC with Dynamically Changing Loads.
Abstract not provided.
Sobering, Jacob↗
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Molecular Dynamics Simulation of the Structures, Dynamics, and Aggregation of Dissolved Organic Matter
Dissolved organic matter (DOM) plays a significant role in the transport and transformation of pollutants in the aquatic environment. However, the experimental characterization of DOM has been limited mainly to bulk properties, and the molecular-level interactions among various components of DOM remain to be fully characterized. In this study, we use molecular dynamics (MD) simulations to probe the structural properties of model DOM systems at atomic detail. The 200 ns simulations, validated by available experimental data, reveal processes and mechanisms by which chemical species (cations, peptides, lipids, lignin, carbohydrates, and some low-molecular-weight aliphatic and aromatic compounds) aggregate to form complex DOM. The DOM aggregates are dynamic, consisting of a hydrophobic core and amphiphilic exterior. The lipid tails and other hydrophobic fragments form the core, with hydrophilic and amphiphilic groups exposed to water, making DOM accessible to both polar and nonpolar species. Thus, the lipid component acts as a nucleator, whereas cations (especially Ca 2+ ) connect the molecular fragments on the surface by coordinating with the O-containing functional groups of DOM. The structural details revealed here provide new insights including surface accessible atoms, overall assemblage, and interactions among the molecules of DOM for understanding the kinetics and mechanisms through which DOM interacts with metal and other contaminants.
54 ENVIRONMENTAL SCIENCES↗
Charge Tethering Drives Intermediate-Range Order and Slow Dynamics in Zwitterionic Liquids
We have synthesized and characterized a family of zwitterionic liquids (ZwLs) based on the poly(ethylene oxide) imidazolium cation and the alkyl sulfonate anion. To better rationalize ZwLs′ structural behavior and networkforming properties, we have computationally studied them in contrast to isostructural but chemically untethered ionic liquid (IL) analogues. Perhaps surprisingly, it is the molecular liquids and not the ILs that show the most selfassembly and intermediate-range order associated with scattering prepeaks; the ZwLs display also the slowest dynamics. This is consistent with prior work showing the importance of networks in considering the viscoelastic relaxation of liquids. We find that, because of their significantly large molecular dipoles, these zwitterions are versatile network-building blocks that result in highly viscous liquids. From a structural perspective, networks in these ZwLs sit somewhere in between what would be true chemical connectivity and the Coulombic networks observed in ionic liquids.
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
Open-system quantum dynamics with correlated initial states, not completely positive maps, and non-Markovianity
Dynamical A and B maps have been employed extensively by Sudarshan and co-workers to investigate open-system evolution of quantum systems. A canonical structure of the A map is introduced here. It is shown that this canonical A map enables us to investigate whether the dynamics is completely positive (CP) or not completely positive (NCP) in an elegant way and, hence, it subsumes the basic results on open-system dynamics. Identifying memory effects in open-system evolution is gaining increasing importance recently and, here, a criterion of non-Markovianity, based on the relative entropy of the dynamical state is proposed. The relative entropy difference of the dynamical system serves as a complementary characterization--though not related directly--to the fidelity difference criterion proposed recently. Three typical examples of open-system evolution of a qubit, prepared initially in a correlated state with another qubit (environment), and evolving jointly under a specific unitary dynamics--which corresponds to a NCP dynamical map--are investigated by employing both the relative entropy difference and fidelity difference tests of non-Markovianity. The two-qubit initial states are chosen to be (i) a pure entangled state, (ii) the Werner state, which exemplifies both entangled and separable states of qubits, depending on a real parameter, and (iii) a separable mixed state. Both the relative entropy and fidelity criteria offer a nice display of how non-Markovianity manifests itself in all three examples.
71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
Dynamic Simulation over Long Time Periods with 100% Solar Generation.
This project aimed to identify the path forward for dynamic simulation tools to accommodate these needs by characterizing the properties of power systems (with high PV penetration), analyzing how these properties affect dynamic simulation software, and offering solutions for potential problems.
14 SOLAR ENERGY↗
Computer-aided software development process design
The authors describe an intelligent tool designed to aid managers of software development projects in planning, managing, and controlling the development process of medium- to large-scale software projects. Its purpose is to reduce uncertainties in the budget, personnel, and schedule planning of software development projects. It is based on dynamic model for the software development and maintenance life-cycle process. This dynamic process is composed of a number of time-varying, interacting developmental phases, each characterized by its intended functions and requirements. System dynamics is used as a modeling methodology. The resulting Software LIfe-Cycle Simulator (SLICS) and the hybrid expert simulation system of which it is a subsystem are described.
Lin, Chi Y.↗
Dynamic Rupture Simulations of the Mw7.2 1992 Landers,California, Earthquake
An important part of the simulation technique implemented in the Recipe is the earthquake rupture characterization based on established empirical scaling relationships between source parameters and seismic moment. The scaling relationships used in the rupture characterization are derived from recorded data and are tested against dynamic and kinematic rupture models of crustal earthquakes. Currently, a revised three-stage source scaling relationship between the source rupture area and seismic moment of inland crustal earthquakes, initially proposed by Irikura and Miyake, is being used. Recent analysis of results obtained with the Recipe for the 2016 M7.1 Kumamoto earthquake performed by several researchers, including the PI, Arben Pitarka, indicate that in order to reproduce the near-fault long-period ground motions and the permanent displacements, observed during surface-rupturing earthquakes, the recipe needs modifications to the kinematic rupture parametrization in the shallow crustal weak zone. In particular, improvements are required in characterizing the slip rate function at shallow depths, above the sesimogenic zone. The main objective of this research project was the development of a dynamic rupture model for the Mw7.2 1992 Landers, California earthquake. The dynamic rupture model was used to derive kinematic rupture parameters, such as slip, slip-rate, rupture time distributions, and slip rate functions in the weak (0-4km) and seismogenic crustal zones. In addition to the knowledge gained from the dynamic rupture modeling of Chi-chi, Ridgecrest, Kumamoto and other crustal earthquakes, studied by the PI, the rupture characterization of the Landers earthquake can be helpful in updating the conventional recipe for broadband ground motion simulations of crustal earthquakes with shallow rupture. The project emphasizes the need for performing physics-based earthquake rupture modeling which ultimately will inform further improvements of rupture characterization. In particular, the modeling of rupture dynamics for recorded earthquakes, and numerical simulations for different rupture scenarios, provides physical constrains on slip evolution in time and space, used in adjustments of empirical source scaling relationships for large crustal earthquakes.
58 GEOSCIENCES↗
Latent space dynamics identification for interface tracking with application to shock-induced pore collapse
Capturing sharp, evolving interfaces remains a central challenge in reduced-order modeling, especially when data is limited and the system exhibits localized nonlinearities or discontinuities. Here, we propose LaSDI-IT (Latent Space Dynamics Identification for Interface Tracking), a data-driven framework that combines low-dimensional latent dynamics learning with explicit interface-aware encoding to enable accurate and efficient modeling of physical systems involving moving material boundaries. At the core of LaSDI-IT is a revised autoencoder architecture that jointly reconstructs the physical field and an indicator function representing material regions or phases, allowing the model to track complex interface evolution without requiring detailed physical models or mesh adaptation. The latent dynamics are learned through linear regression in the encoded space and generalized across parameter regimes using Gaussian process interpolation with greedy sampling. We demonstrate LaSDI-IT on the problem of shock-induced pore collapse in high explosives, a process characterized by sharp temperature gradients and dynamically deforming pore geometries. The method achieves relative prediction errors below 9% across the parameter space, accurately recovers key quantities of interest such as pore area and hot spot formation, and matches the performance of dense training with only half the data. This latent dynamics prediction was 10 6 times faster than the conventional high-fidelity simulation, proving its utility for multi-query applications. These results highlight LaSDI-IT as a general, data-efficient framework for modeling discontinuity-rich systems in computational physics, with potential applications in multiphase flows, fracture mechanics, and phase change problems.
Gaussian process↗
Adapted Cell Design for the Operando X‑Ray Absorption Study of a Structurally Evolving Cu Nanoparticle Ensemble during the CO2 Electroconversion to Multicarbon Products
An improved understanding of the materials that will sustain the future of energy production, storage, and delivery calls for better characterization tools. Operando characterization methods have thus become essential for investigating electrocatalytic materials. Without their resulting insights, the study of highly performing catalysts post-mortem cannot viably facilitate the further development of functional catalysts. Herein, we present an operando electrochemical cell designed for hard X-ray absorption spectroscopy (XAS) and specifically adapted to the study of an electrocatalytically active Cu nanoparticle ensemble. So far, this nanocatalyst has proven to pose quite a challenge to characterize due to its unique structural dynamics. Adopting a design comparable to the H-cell employed for all activity testing, we report the satisfactory translation of the active site formation into an XAS-compatible cell. The simultaneous collection of CO2-derived products during XAS characterization enabled the operando characterization of this CO2-reducing active structure. We report a Cu–Cu coordination number of the first scattering path higher than suggested in our previous studies, highlighting the importance of monitoring metastable nanoelectrocatalysts in operando. This study illustrates important caveats for the electrocatalysis community when considering the application of operando XAS. Our results highlight that the sample size, homogeneity, and stability determine how to interpret the measured signal. Considering these parameters carefully, the operando EXAFS results confirm the exceptional undercoordinated character of the Cu nanoparticle ensemble during CO2 reduction to C2+ products.
Louisia, Sheena↗
Characterization of magnetic field lines in connection with the transport of field lines in Beltrami magnetic fields
Single and double curl Beltrami magnetic fields are studied numerically in connection with their transport properties and the results are compared and analyzed by characterizing the magnetic field lines. In the phase space of single curl Beltrami field, islands of regular field lines are embedded into the chaotic sea. Whereas the field lines for certain solutions of double curl Beltrami field are chaotic over the entire space. Due to the presence of regular islands in phase space, the chaotic trajectories show stickiness phenomena which is characterized by the distribution of a chaotic field line. The dynamical traps in chaotic orbits due to stickiness phenomena are also characterized by the distribution of finite distance Lyapunov exponents. Finally recurrence time distribution of chaotic trajectories is plotted to understand their global behaviour.
70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
Characterizing Natural Organic Matter Transformations by Microbial Communities in Terrestrial Subsurface Ecosystems: A Critical Review of Analytical Techniques and Challenges
Determining the mechanisms, traits, and pathways that regulate microbial transformation of natural organic matter (NOM) is critical to informing our understanding of the microbial impacts on the global carbon cycle. The capillary fringe of subsurface soils is a highly dynamic environment that remains poorly understood. Characterization of organo-mineral chemistry combined with a nuanced understanding of microbial community composition and function is necessary to understand microbial impacts on NOM speciation in the capillary fringe. We present a critical review of the popular analytical and omics techniques used for characterizing complex carbon transformation by microbial communities and focus on how complementary information obtained from the different techniques enable us to connect chemical signatures with microbial genes and pathways. This holistic approach offers a way forward for the comprehensive characterization of the formation, transformation, and mineralization of terrestrial NOM as influenced by microbial communities.
59 BASIC BIOLOGICAL SCIENCES↗
Standard Evaluation of exoplanet Yield for the LUVOIR and HabEx Concept Studies
The HabEx and LUVOIR mission concepts aim to directly image and spectrally characterize potentially habitable exoplanets. We use EXOSIMS to simulate design reference missions with observation scheduling to determine yield of exoplanets detected, spectrally characterized, and orbits determined. EXOSIMS performs dynamically responsive scheduling with realistic mission observing constraints on Monte Carlo universes of synthetic planets around known nearby stars. We use identical astrophysical inputs and the individual observing scenarios of each concept to evaluate a common comparison of the detection and spectral characterization yields of HabEx and LUVOIR. HabEx is evaluated for the 4m hybrid starshade and coronagraph architecture, the 4m coronagraph only architecture, and the 4 m starshade only architecture. LUVOIR is evaluated for the 8 m architecture of their final report. Yield analysis shows that both concepts can directly image and spectrally characterize earth-like planets in the habitable zone and that each concept has complementary strengths.
Keithly, Dean↗
Behavioral analysis of signals that guide learned changes in the amplitude and dynamics of the vestibulo-ocular reflex
We characterized the dependence of motor learning in the monkey vestibulo-ocular reflex (VOR) on the duration, frequency, and relative timing of the visual and vestibular stimuli used to induce learning. The amplitude of the VOR was decreased or increased through training with paired head and visual stimulus motion in the same or opposite directions, respectively. For training stimuli that consisted of simultaneous pulses of head and target velocity 80-1000 msec in duration, brief stimuli caused small changes in the amplitude of the VOR, whereas long stimuli caused larger changes in amplitude as well as changes in the dynamics of the reflex. When the relative timing of the visual and vestibular stimuli was varied, brief image motion paired with the beginning of a longer vestibular stimulus caused changes in the amplitude of the reflex alone, but the same image motion paired with a later time in the vestibular stimulus caused changes in the dynamics as well as the amplitude of the VOR. For training stimuli that consisted of sinusoidal head and visual stimulus motion, low-frequency training stimuli induced frequency-selective changes in the VOR, as reported previously, whereas high-frequency training stimuli induced changes in the amplitude of the VOR that were more similar across test frequency. The results suggest that there are at least two distinguishable components of motor learning in the VOR. One component is induced by short-duration or high-frequency stimuli and involves changes in only the amplitude of the reflex. A second component is induced by long-duration or low-frequency stimuli and involves changes in the amplitude and dynamics of the VOR.
NASA Discipline Neuroscience↗
Dynamic Nuclear Polarization Enhanced Nuclear Spin Optical Rotation
Here, nuclear spin optical rotation (NSOR) has been investigated as a magneto-optical effect, which holds the potential for applications, including hybrid optical-nuclear magnetic resonance (NMR) spectroscopy and gradientless imaging. The intrinsic nature of NSOR renders its detection relatively insensitive, which has prevented it moving from a proof of concept to a method supporting chemical characterizations. In this work, the dissolution dynamic nuclear polarization technique is introduced to provide nuclear spin polarization, increasing the signal-to-noise ratio by several thousand times. NSOR signals of 1 H and 19 F nuclei are observed in a single scan for diluted compounds, which has made this effect suitable for the determination of electronic transitions from a specific nucleus in a large molecule.
38 RADIATION CHEMISTRY, RADIOCHEMISTRY, AND NUCLEA↗
Increasing Flexibility of Polymers in the Application of Complex SpaceCraft Heat Shield Geometries
In this study, six additives were investigated, comparing them to a phenolic baseline. Various characterization techniques, including thermogravimetric analysis (TGA), dynamic mechanical analysis (DMA), nuclear magnetic resonance (NMR), and Fourier transform infrared spectroscopy (FTIR), were employed to assess the properties of the materials.
flexible polymers↗
Theory of criticality for quantum ferroelectric metals
A variety of compounds, for example, doped paraelectrics and polar metals, exhibit both ferroelectricity and correlated electronic phenomena such as low-density superconductivity and anomalous transport. Characterizing such properties is tied to understanding the quantum dynamics of inversion symmetry breaking in the presence of itinerant electrons. Here, we present a comprehensive analysis of the properties of a metal near a quantum critical transition to a ferroelectric state, in both two and three dimensions. In this study, starting from a minimal model of electrons coupled to a transverse polar phonon via a Rashba-type spin-orbit interaction, we compute the dynamical response of both electrons and phonons. We find that the system can evince both Fermi and non-Fermi liquid phases, as well as enhanced pairing in both singlet and triplet channels. Furthermore, we systematically compute corrections to one-loop theory and find a tendency to quantum order-by-disorder, leading to a phase diagram that can include second-order, first-order, and finite-momentum phase transitions. Finally, we show that the entire phase diagram can be controlled via application of external strain, either compressive or volume-preserving. Our results provide a map of the dynamical and thermodynamical phase space of quantum ferroelectic metals, which can serve in characterizing existing materials and in seeking applications for quantum technologies.
75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
Sub-daily virus sampling at the Bermuda Atlantic Time Series reveals diel and depth-structured population dynamics without community-level shifts
Ocean microbes contribute to biogeochemical cycles and ecosystem function, but they do so under top-down pressure imposed by viruses. While viruses are increasingly understood spatially and beginning to be incorporated into predictive modeling, high-frequency ocean virus dynamics remain understudied due to methodological challenges. Here we sampled stratified Bermuda Atlantic Time Series (BATS) waters for 112 hours at sub-daily 4- (surface) or 12- (deep chlorophyll maximum) hour intervals, purified viral particles from these samples, sequenced their metagenomes, and used the resulting data to characterize high-frequency virus community dynamics. Aggregated community diversity metrics changed with depth, but were not statistically significant temporally at a fixed location. However, finer-scale population-level analyses revealed both depth and temporal change, including physicochemical depth-driven differences and, in surface waters, thousands of viral populations that exhibited statistically significant diel rhythms. Statistical analyses revealed three main archetypes of temporal dynamics that themselves differed in abundance patterns, host predictions, viral taxonomy, and gene functions. Among these, highlights include viruses resembling an archetype with a night peaking pattern in activity that include an over-representation of viruses that putatively infect Prochlorococcus, a phototrophic cyanobacteria. Together, these efforts provide baseline community- and population-scale short-time-frame observations relevant to future climate state modeling.
Carrillo, Alfonso [The Ohio State University, Colu↗
Improvement in precision, accuracy, and efficiency in sstandardizing the characterization of granular materials
Useful prediction of the kinematics, dynamics, and chemistry of a system relies on precision and accuracy in the quantification of component properties, operating mechanisms, and collected data. In an attempt to emphasize, rather than gloss over, the benefit of proper characterization to fundamental investigations of multiphase systems incorporating solid particles, a set of procedures were developed and implemented for the purpose of providing a revised methodology having the desirable attributes of reduced uncertainty, expanded relevance and detail, and higher throughput. Better, faster, cheaper characterization of multiphase systems result. Methodologies are presented to characterize particle size, shape, size distribution, density (particle, skeletal and bulk), minimum fluidization velocity, void fraction, particle porosity, and assignment within the Geldart Classification. A novel form of the Ergun equation was used to determine the bulk void fractions and particle density. Accuracy of properties-characterization methodology was validated on materials of known properties prior to testing materials of unknown properties. Several of the standard present-day techniques were scrutinized and improved upon where appropriate. Validity, accuracy, and repeatability were assessed for the procedures presented and deemed higher than present-day techniques. A database of over seventy materials has been developed to assist in model validation efforts and future desig
42 ENGINEERING↗