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Results for “Structural Impact Dynamics”

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 199 records · Page 11
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Direct Observation of Transient Structural Dynamics of Atomically Thin Halide Perovskite Nanowires

Halide perovskite is a unique dynamical system, whose structural and chemical processes happening across different timescales have significant impact on its physical properties and device-level performance. However, due to its intrinsic instability, real-time investigation of the structure dynamics of halide perovskite is challenging, which hinders the systematic understanding of the chemical processes in the synthesis, phase transition, and degradation of halide perovskite. Here, we show that atomically thin carbon materials can stabilize ultrathin halide perovskite nanostructures against otherwise detrimental conditions. Moreover, the protective carbon shells enable atomic-level visualization of the vibrational, rotational, and translational movement of halide perovskite unit cells. Albeit atomically thin, protected halide perovskite nanostructures can maintain their structural integrity up to an electron dose rate of 10,000 e – /Å 2 ·s while exhibiting unusual dynamical behaviors pertaining to the lattice anharmonicity and nanoscale confinement. Here, our work demonstrates an effective method to protect beam-sensitive materials during in situ observation, unlocking new solutions to study new modes of structure dynamics of nanomaterials.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2024

Enhancement of magnetic domain wall velocity via resonant dissipation of standing wave modes of domain wall structure with perpendicular magnetic anisotropy

The dynamic behaviors of magnetic domain walls have significant implications for developing advanced spintronic devices. In this study, we investigate the intriguing resonance phenomenon within the magnetic domain wall structure, focusing on the dissipation mechanism and its impact on domain wall dynamic motion. By applying a static external magnetic field, we observe a remarkable amplification of domain wall velocity through the resonant excitations of the flexure modes. The resonance of the flexure mode exerts an indirect influence on the domain wall velocity through energy dissipation, leading to a significant enhancement from the predictions of the one-dimensional Walker model. We establish a robust model platform rooted in energy dissipation allows comprehensive understanding the dramatic enhancement of domain wall velocity observed during width-directional flexure mode resonance. By directly quantifying energy dissipation, our approach provides highly effective and accurate estimates of domain wall velocity, surpassing previous methods that focus solely on the instantaneous dynamics of the domain wall structure. These findings offer crucial insights into the fundamental mechanisms governing the dynamics of domain walls and other magnetic systems, such as magnetic skyrmions, bubbles, and magnetic vortices, paving the way for development and optimization of next-generation spintronic devices.

Collective dynamics↗
NASA NTRS2022

Firefly: The Case for a Holistic Understanding of the Global Structure and Dynamics of the Sun and the Heliosphere

This white paper presents the current knowledge gaps in understanding how magnetic fields control solar (and by extension, stellar) activity in timescales from minutes to years and discusses a transformative observational approach to fill those gaps. The solar activity drives space weather as the result of dynamic magnetic fields forming in the solar interior and evolving continuously until reaching levels of complexity in the atmosphere that trigger eruptions. However, we do not fully understand how solar and, more generally, stellar magnetic fields are generated and how they evolve through the eruptive states. The major obstacle is our reliance on observations from a single viewpoint, particularly in the ecliptic plane. This vantage point can only provide limited information for (i) understanding the generation of solar magnetic fields deep in the convection zone; (ii) determining the origin of the solar cycle and predicting its timing and strength; (iii) explaining the causes of solar activity and their triggers; (iv) reliably predicting when and how CMEs will impact Earth and other planets; (v) fathoming the structure and dynamics of the corona as it creates the heliosphere; (vi) understanding the energization and transport of energetic particles; etc.

Nour E. Raouafi↗
DOE OSTI2012

Wakefield Simulations for the Laser Acceleration Experiment at SLAC

Laser-driven acceleration in dielectric photonic band gap structures can provide gradients on the order of GeV/m. The small transverse dimension of the structure, on the order of the laser wavelength, presents interesting wakefield-related issues. Higher order modes can seriously degrade beam quality, and a detailed understanding is needed to mitigate such effects. On the other hand, wakefields also provide a direct way to probe the interaction of a relativistic bunch with the synchronous modes supported by the structure. Simulation studies have been carried out as part of the effort to understand the impact on beam dynamics, and to compare with data from beam experiments designed to characterize candidate structures. In this paper, we present simulation results of wakefields excited by a sub-wavelength bunch in optical photonic band gap structures.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Gramicidin and chlorhexidine encapsulated in bicontinuous microemulsions: Antimicrobial activity performance and their impact on self‐assembly

The utility of bicontinuous microemulsions (BMEs) as carriers of the antimicrobial peptide (AMP) gramicidin D and antiseptic chlorhexidine was investigated for possible topical delivery to chronic wounds. The two water-insoluble solutes dissolved in pre-formed one-phase BMEs of Water/Polysorbate 80/Limonene/Ethanol/Glycerol and Water/Aerosol-OT (AOT)/Polysorbate 85/Isopropyl Myristate and an AOT/Polysorbate 85 Winsor-III system, achieving gramicidin and chlorhexidine concentrations of 1.0 wt% and 0.5% individually and 0.5% and 0.3% in mixtures at 22°C, respectively. Small-angle neutron scattering measurements demonstrated that both solutes decreased surfactant interfacial activity and increased interfacial fluidity for the Polysorbate 80 system. For the AOT/Polysorbate 85 systems, ellipsoidal aggregates consisting of gramicidin and likely adsorbed surfactant and oil formed, while chlorhexidine enhanced the surface activity of surfactants. According to bioassays performed on artificial skin, the incorporation of melittin, gramicidin, and chlorhexidine in general enhanced the bioactivity of Polysorbate 80 BMEs for 24 h treatment against relevant antibiotic-resistant bacteria found on skin relative to controls. Yet, BME treatments were less effective than aqueous melittin control, in contrast to well diffusion bioassays performed previously. The results reflect the strong impact of AMPs and antiseptics on BME structure and dynamics and the complexity of formulating BMEs for optimal antimicrobial activity.

antimicrobial peptides↗
DOE OSTI2026

Multi-arrival infrasound from meteoroids: Fragmentation signatures versus propagation effects in a fine-scale layered atmosphere

Infrasonic signatures of meteoroid fragmentation are frequently ambiguous: do multiple arrivals signify a complex breakup or merely the distorting effects of a layered atmosphere? Resolving this ambiguity is critical for accurate energy estimates and source reconstruction. In this study, we address this challenge by analyzing a unique regional dataset of well-constrained meteoroid events observed by the Southern Ontario Meteor Network and the co-located Elginfield Infrasound Array. We employ pseudo-differential parabolic equation (PPE) simulations to quantify how fine-scale gravity-wave structures in the stratosphere and lower thermosphere modify acoustic waveforms at ranges <300 km. Our modeling reveals that while fine-scale layering can stretch signals and generate diffuse oscillatory tails, it does not produce discrete, high-amplitude pulse splitting at ranges below ∼140 km. By applying these results to the rare multi-arrival event 20060305, we demonstrate that its distinct double arrival at 100 km range is inconsistent with atmospheric multipathing and provides definitive evidence of separate fragmentation episodes. These findings establish new diagnostic criteria for separating source physics from propagation artifacts, improving the reliability of infrasound as a monitoring tool for natural bolides, space debris re-entries, and catastrophic launch failures.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2023

Quantifying the Impact of Electric Fields on the Local Structure and Migration of Potassium Ions at the Orthoclase (001) Surface

Developing an understanding of the response of mineral/water interfaces to applied electric fields is central to detecting and interpreting signatures of interfacial processes in the subsurface. Here we focus density functional theory calculations on understanding K + cation binding and diffusion across the (001) surface of orthoclase feldspar under various applied electric fields with and without surface hydration. The calculations reveal how water ligands labilize surface K + cations for diffusion while also increasing their sensitivity to electric field effects on the binding energy at different surface sites. The calculations also show how the direction and strength of the electric field systematically affect surface cation mobility, sorption, and hydration behavior. Specifically, electric fields directed toward the surface increase the potassium binding energies, facilitate K + diffusion across multiple binding sites, and increase the propensity of surface K + ions to lose their hydration shells. Furthermore, the findings help fill a major knowledge gap into the impact of electric fields on mineral/water interface structure and dynamics more generally, featuring in this case a commonly found type of feldspar involved in a multitude of atmospheric and geochemical processes.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2013

Atomistic Modeling of the Electrode–Electrolyte Interface in Li-Ion Energy Storage Systems: Electrolyte Structuring

The solid electrolyte interface (SEI) forms as a result of side reactions between the electrolyte and electrode surfaces in Li-ion batteries and can adversely impact performance by impeding Li-ion transport and diminishing the storage capacity of the battery. To gain a detailed understanding of the impact of the SEI on electrolyte structure, atomistic molecular dynamics simulations of the electrode/electrolyte interface were performed in the presence and absence of the SEI under applied voltages. The composition of the SEI was guided by a wealth of data from experiments and allowed to vary across the simulations. A novel computational approach was implemented that showed significant computational speedup compared to fully polarizable electrode simulations, yet, retained the correct qualitative physics for the electrolyte. A force-matching algorithm was used to construct a new force field for the pure electrolyte, LiPF6 in ethylene carbonate, which was developed from ab initio molecular dynamics simulations. The electrode/electrolyte interface was included using a simple, physically motivated model, which includes the polarization of the conducting graphitic electrode by the electrolyte and the application of an external voltage. Changes in the structure of the electrolyte at the interface as a function of applied voltage, the thickness of the SEI layer, and composition of the SEI provide molecular level insight into the species present at these interfaces and potential clues to the effect of the SEI on transport. It is noted that, with increasing SEI thickness and LiF content, lithium ions are drawn closer to the SEI surface, which implies that these interfaces favor desolvation and promote more rapid lithium transport.

Jorn, Ryan↗
DOE OSTI2023

4P (Plastic Parallel Pathways Platform) [SWR 23-84]

The Plastic Parallel Pathways Platform (4P) combines life cycle assessment, agent-based modeling within a dynamic material flow analysis structure to compute the environmental impacts of different recycling options under various behavioral interventions.

Walzberg, Julien↗
DOE OSTI2024

Extracted Radar Columns and In Situ Sensors (RadCLss) Value-Added Product Report

In order to validate precipitation, in 2010 the U.S. Department of Energy (DOE) Atmospheric Radiation Measurement (ARM) user facility procured 3- and 5-cm wavelength radars for documenting the macrophysical, microphysical, and dynamical structure of precipitating systems. To maximize the scientific impact, ARM supported the development of an application chain to correct for various phenomena in order to retrieve the “point” values of moments of the radar spectrum and polarimetric measurements. In estimation from ARM radars, a workflow was created to directly compare radar “point” values with various in situ observations at the surface.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2024

Colorado State University (CSU) X-Band Precipitation Radar Plan Position Indicator Data Processed with Corrected Moments in Antenna Coordinates (CMAC) Value-Added Product Report

In 2010 the U.S. Department of Energy (DOE) Atmospheric Radiation Measurement (ARM) user facility procured 3- and 5-cm wavelength radars for documenting the macrophysical, microphysical, and dynamical structure of precipitating systems. To maximize the scientific impact, ARM supported the development of an application chain to correct for various phenomena in order to retrieve the “point” values of moments of the radar spectrum and polarimetric measurements. We have now used the lessons learned from the processing of the 3- and 5-cm wavelength radars obtained by ARM to help process X-band radar data from the Surface Atmospheric Integrated Field Laboratory (SAIL) field campaign. This report details the motivation, science, and progress to date as well as charting a path forward.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2019

Effect of wind turbine nacelle on turbine wake dynamics in large wind farms

Wake meandering, a phenomenon of large-scale lateral oscillation of the wake, has significant effects on the velocity deficit and turbulence intensities in wind turbine wakes. Previous studies of a single turbine (Kang et al. , J. Fluid. Mech. , vol. 774, 2014, pp. 374–403; Foti et al. , Phys. Rev. Fluids , vol. 1 (4), 2016, 044407) have shown that the turbine nacelle induces large-scale coherent structures in the near field that can have a significant effect on wake meandering. However, whether nacelle-induced coherent structures at the turbine scale impact the emergent turbine wake dynamics at the wind farm scale is still an open question of both fundamental and practical significance. We take on this question by carrying out large-eddy simulation of atmospheric turbulent flow over the Horns Rev wind farm using actuator surface parameterisations of the turbines without and with the turbine nacelle taken into account. While the computed mean turbine power output and the mean velocity field away from the nacelle wake are similar for both cases, considerable differences are found in the turbine power fluctuations and turbulence intensities. Furthermore, wake meandering amplitude and area defined by wake meanders, which indicates the turbine wake unsteadiness, are larger for the simulations with the turbine nacelle. The wake influenced area computed from the velocity deficit profiles, which describes the spanwise extent of the turbine wakes, and the spanwise growth rate, on the other hand, are smaller for some rows in the simulation with the nacelle model. Our work shows that incorporating the nacelle model in wind farm scale simulations is critical for accurate predictions of quantities that affect the wind farm levelised cost of energy, such as the dynamics of wake meandering and the dynamic loads on downwind turbines.

Mechanics↗
NASA NTRS1994

Design of orbital debris shields for oblique hypervelocity impact

A new impact debris propagation code was written to link CTH simulations of space debris shield perforation to the Lagrangian finite element code DYNA3D, for space structure wall impact simulations. This software (DC3D) simulates debris cloud evolution using a nonlinear elastic-plastic deformable particle dynamics model, and renders computationally tractable the supercomputer simulation of oblique impacts on Whipple shield protected structures. Comparison of three dimensional, oblique impact simulations with experimental data shows good agreement over a range of velocities of interest in the design of orbital debris shielding. Source code developed during this research is provided on the enclosed floppy disk. An abstract based on the work described was submitted to the 1994 Hypervelocity Impact Symposium.

Fahrenthold, Eric P.↗
DOE OSTI2022

Modeling ablator grain structure impacts in ICF implosions

High-density carbon is a leading ablator material for inertial confinement fusion (ICF). This and some other ablator materials have grain structure which is believed to introduce very small-scale (~nm) density inhomogeneity. In principle, such inhomogeneity can affect key ICF metrics like fuel compression and yield, by, for example, acting as a seed for instabilities and inducing mix between ablator and fuel. However, assessments of such effects are uncertain due to the difficulty of modeling this small-scale structure in ICF simulations, typically requiring reduced-resolution modeling that scales these features. We present a grain model and show both the impact of de-resolving grains and the complex mixing dynamics such structures can induce. We find that different methods for de-resolving grains can yield both different total deposition of kinetic energy perturbations and different fuel–ablator mixing. We then show a simple-to-implement approach for approximately conserving the deposition of perturbed kinetic energy and demonstrate that, for the present grain model and test cases, this approach yields a reasonably matched time history of mix width between less and more resolved grain models. The simulations here also demonstrate the complex interaction history between grain-induced mixing and instability around the fuel–ablator interface, showing, for example, that the grain-induced perturbations typically trigger instability of conduction-driven density gradients in the DT fuel, enhancing mix penetration early in the acceleration of the shell. Furthermore simulating both microscale and nanoscale grains, we find initial evidence for larger mixing in the microscale case of the present model, despite smaller deposited kinetic energy perturbation.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2023

Temperature and nutrients drive eco-phenotypic dynamics in a microbial food web

Anthropogenic increases in temperature and nutrient loads will likely impact food web structure and stability. Although their independent effects have been reasonably well studied, their joint effects—particularly on coupled ecological and phenotypic dynamics—remain poorly understood. Here we experimentally manipulated temperature and nutrient levels in microbial food webs and used time-series analysis to quantify the strength of reciprocal effects between ecological and phenotypic dynamics across trophic levels. We found that (1) joint—often interactive—effects of temperature and nutrients on ecological dynamics are more common at higher trophic levels, (2) temperature and nutrients interact to shift the relative strength of top-down versus bottom-up control, and (3) rapid phenotypic change mediates observed ecological responses to changes in temperature and nutrients. Our results uncover how feedback between ecological and phenotypic dynamics mediate food web responses to environmental change. As a result, this suggests important but previously unknown ways that temperature and nutrients might jointly control the rapid eco-phenotypic feedback that determine food web dynamics in a changing world.

59 BASIC BIOLOGICAL SCIENCES↗