SEARCH · Search NASA

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.

SourceResearch connectionFrom yearThrough year

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

At least 145 records · Page 8

All sources NASA NTRS DOE OSTI

DOE OSTI2024

Exploring poly-crystallization in semiconductors through assumption-less growth simulations: CdTe/CdS case study

Crystal growth is a complex process with far-reaching implications for high-performance materials across various fields. Recent advancements in structural analysis methods such as polyhedral template matching, which allows semiconductor-specific analysis, coupled with simulation technology, have enabled the comprehensive study of crystallization dynamics in semiconductors. However, the exploration of polycrystalline semiconductors created with minimal external intervention of the crystallization processes is relatively uncharted in comparison with metals. In this study, we employ molecular dynamics to simulate the growth of polycrystalline CdTe/CdS with the assumptions of classical mechanics, a Stillinger–Weber potential, an amorphous substrate, and common vapor growth conditions to allow the polycrystalline structures to evolve naturally. Post-simulation, we identify and analyze impactful structures and events, comparing them to theory and experiment to gain insight into various modes of crystallization dynamics. Two research questions guided the study: (1) How realistic are assumption-less simulated polycrystalline semiconductor structures? (2) To what extent can the approach provide insight into crystallization? The simulations, performed with minimal external control, yield polycrystalline structures mirroring experimental findings. The analysis reveals key crystallization insights, such as the role of amorphous atoms in the transition from nucleation to grain growth and the transformative impact of single events, such as dislocations, on crystallization dynamics. The method paves the way for reproducing and analyzing realistic polycrystalline semiconductor structures with minimal simulation assumptions across various growth modes.

Abdullah, Sharmin↗

DOE OSTI2020

Kilometer-Scale Hydrologic Exchange Flows in a Gravel Bed River Corridor and Their Implications to Solute Migration

In this work, a well-characterized field site along a major river corridor was used to investigate the dynamic pathways and impacts of subsurface hydrogeologic structures on kilometer-scale hydrologic exchange flows between river water and groundwater. A aqueous uranium (U aq ) plume exists at the site that discharges to the Columbia River. We performed temporally intensive monitoring of specific conductance (SpC) and U aq concentrations within the plume at increasing distances from the river shoreline and at locations both within and outside a presumed subsurface pathway of lateral hydrologic exchange. Specific conductance and U aq were utilized as in-situ tracers of hydrologic exchange and associated groundwater-surface water mixing. Monitoring data was collected for an approximate two year period during which seasonal river elevations varied by more than 2 m causing distinct events of river water intrusion and retreat from the near-shore aquifer, and large temporal variations in well-water analyte concentrations. Statistical clustering analysis was applied to identify well groupings exhibiting common time series behaviors. PFLOTRAN was implemented within a modeling domain of 3.3 x 1.9 km with dynamic flow boundary conditions and accurate subsurface topography for the basal aquitard underlying the aquifer. In-silico calculations of river water tracer behavior were performed to assess predominant flow directions and velocities influenced by river stage variations and variable aquitard topography, and their collective influences on SpC and U aq concentrations. We demonstrate complicated multidirectional flow behaviors at the kilometer scale resulting from hydrologic exchange and subsurface structure that influence plume dynamics and determine the overall system behavior.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2024

Final Technical Report

The capture of CO2 and its simultaneously conversion to useful chemical fuels driven by solar energy represents one of the best solutions to resolve our growing energy and environmental concerns. The most critical challenge to this endeavor is the rational design of a photocatalytic architecture that can effectively couple a given photosensitizer (PS) with an appropriate catalyst, thereby enabling efficient photosensitization of a multi-electron reduction catalysis. This research program aims to address this challenge using an interdisciplinary approach that combines innovative material design and synthesis, fundamental mechanistic studies, and photocatalytic performance evaluation. The strategies include 1) constructing and investigating a novel class of 2D COF hybrid photocatalysts with an effective photoactive organic building block as PS and a precisely incorporated CO2 reduction molecular catalyst (MC); and 2) mechanistic origins of CO2 photoreduction using a set of complementary time-resolved and in situ spectroscopic techniques. The novelty of the proposed hybrid system lies in the unprecedented combination of the unique advantage of porous crystalline COF PS with the precise catalytic function of MC for photocatalytic CO2 reduction. In the periods of the support (09/01/2019-12/31/2022), we have made research progress in four projects: 1) Exploring 2D COFs with incorporated Mn complex for light driven CO2 reduction; 2) The dependence of excited state and charge transfer dynamics on monomer structure of 2D COFs; and 3) Control over Charge Separation by Imine Structural Isomerization in Covalent Organic Frameworks with Implications on CO2 Photoreduction; and 4) The impact of monomer structure on the photoluminescence properties of COFs. We found that both monomer structure and linker chemistry can effectively impact the excited state dynamics, charge transfer properties, and photoluminescence quantum yields, the important properties that dictate their applications in photocatalysis. In addition, we found that the direction of imine linker determines charge transfer direction and thus controls the types of catalytic reactions (e.g. water oxidation or CO2 reduction reactions). The result from these fundamental studies provides important information for correlating the structure of the COF photocatalysts with their photophysical properties and catalytic functions, paving the way for their novel application in photocatalysis. We expect that our findings will contribute to addressing current shortcomings of semiconductor- and molecular-based photocatalytic systems that suffer from inefficient light harvesting and charge separation and poor adsorption and activation of reactants. In turn, this research will contribute towards the development of novel photocatalytic systems for CO2 reduction to generate renewable chemical fuels and simultaneously address the problem of mitigating climate change due to CO2 accumulation. In addition, the experimental approaches employed in this research can be easily transferred to other energy technologies and are expected to broadly impact fields involving photocatalysis, optoelectronic devices, and solar energy conversion. The proposed research has also been integrated with educational activities and serve as a basis to raise awareness around the critical issues of global energy production and consumption, and to develop the next generation of solar energy scientists.

14 SOLAR ENERGY↗

NASA NTRSDate not supplied

Results from Two Full-Scale Hawker 4000 Fuselage Drop Tests

In the spring of 2022, NASA Langley Research Center (LaRC) conducted two full-scale drop tests on a Hawker 4000 partial fuselage structure for the evaluation of composite material response under dynamic impact loading conditions. The specific objectives of the tests were to induce dynamic composite damage initiation and progression and in primary structure and to understand the nature of the failure modes. The tests were conducted via dividing the fuselage hardware into three smaller sections. Dynamic drop tests were conducted on the forward and aft portions of the fuselage under different dynamic loading conditions, while the middle section was reserved for materials testing. Both tests were conducted by dropping the test articles from a height of 14 feet with significant amounts of pitch, which was added to initiate damage in specific regions of the structure. The test articles were ballasted then instrumented with accelerometers at various locations and speckle-coated on both exterior sides with a black and white stochastic pattern for use with three-dimensional digital image correlation (3D-DIC). In addition, the interior belly portion of the forward section test article was also speckle-coated, which was intended to capture deformations on the belly of the test article from the interior at impact. The interior of the aft section test article was not speckle-coated. Prior to testing, bow-tie markers were applied at various locations for use in marker tracking, to measure impact conditions such as vertical impact velocity and pitch. In this report, a partial summary of the data collected from the tests is presented. The data was primarily in the form of accelerometers to measure impact acceleration and 3D-DIC to measure deformation and failure onset and propagation. Post-test inspections revealed the primary damage mechanism was fiber cracking and delamination primarily in and around the area that contacted the impact surface. Acceleration pulse shapesin the ballast locations were trapezoidal in nature and ranged between 10 g and 40 g, depending on the location and test.

full scale testing↗

NASA NTRSDate not supplied

Results from Two Full-Scale Hawker 4000 Fuselage Drop Tests

full scale testing↗

DOE OSTI2024

Salt matters: How ionic strength and electrolytes impact redox polymer reactivity and dynamics for energy storage

As the global demand for sustainable energy grows, redox-active polymers (RAPs) have emerged as promising materials for batteries due to their advantages in stability, ease of preparation, and low-cost processability. Despite factors traditionally known to impact polymer dynamics (e.g., temperature, viscosity, and structure), we posit that investigating the effect of ionic strength and/or supporting electrolyte types on the electrochemical performance of RAP systems is crucial, both in aqueous and nonaqueous systems. Here, we first highlight recent findings on RAP-electrolyte interactions, elucidating how their polyelectrolyte nature determines their redox activity. Then, we focus on strategies to enhance RAP performance for energy storage through ionic strength optimization and tailored electrolyte composition. These insights into the modulation of RAP reactivity provide a foundation for improving battery performance in both flow and stationary configurations, thus facilitating progress toward next-generation energy storage solutions.

25 ENERGY STORAGE↗

NASA NTRS1988

Current research in composite structures at NASA's Langley Research Center

Research on the mechanics of composite structures at NASA's Langley Research Center is discussed. The advantages and limitations of special purpose and general purpose analysis tools used in research are reviewed. Future directions in computational structural mechanics are described to address analysis short-comings. Research results on the buckling and postbuckling of unstiffened and stiffened composite structures are presented. Recent investigations of the mechanics of failure in compression and shear are reviewed. Preliminary studies of the dynamic response of composite structures due to impacts encountered during crash-landings are presented. Needs for future research are discussed.

Card, Michael F.↗

NASA NTRS1992

Optical distributed sensors for feedback control: Characterization of photorefractive resonator

The aim of the project was to explore, define, and assess the possibilities of optical distributed sensing for feedback control. This type of sensor, which may have some impacts in the dynamic control of deformable structures and the monitoring of small displacements, can be divided into data acquisition, data processing, and control design. Analogue optical techniques, because they are noninvasive and afford massive parallelism may play a significant role in the acquisition and the preprocessing of the data for such a sensor. Assessing these possibilities was the aim of the first stage of this project. The scope of the proposed research was limited to: (1) the characterization of photorefractive resonators and the assessment of their possible use as a distributed optical processing element; and (2) the design of a control system utilizing signals from distributed sensors. The results include a numerical and experimental study of the resonator below threshold, an experimental study of the effect of the resonator's transverse confinement on its dynamics above threshold, a numerical study of the resonator above threshold using a modal expansion approach, and the experimental test of this model. A detailed account of each investigation, including methodology and analysis of the results are also included along with reprints of published and submitted papers.

Indebetouw, Guy↗

NASA NTRS2014

Investigating the Aerosol Optical and Radiative Characteristics of Heavy Haze Episodes in Beijing During January of 2013

Several heavy atmospheric haze pollution episodes occurred over eastern and northern China during January of 2013. The pollution covered more than 100 sq km and caused serious impacts on environmental quality, human health, and transportation. In this study, we characterize aerosol microphysical, optical, and radiative characteristics using a combination of ground-based Sun/sky radiometer retrievals and a radiative transfer model. Our results show that during about half of the total number of days, daily PM2.5 and PM10 concentrations are larger than 100 microg/cu m, with maxima of 462 and 433 microg/cu m, respectively, during the haze events. Fine-mode (PM2.5) particles dominated the aerosol size during the episodes. The volume size distribution and median radius of fine-mode particles generally increase as aerosol optical depth at 440 nm (AOD440) increases. The median effective radius of fine-mode particles increases from 0.15 microns at low AOD value (AOD440~0.3) to a radius of 0.25-0.30 microns at high AOD value (AOD440> or = 1.0). The daily mean single-scattering albedo (SSA), imaginary part of refractive index (RI), and asymmetry factor display pronounced spectral behaviors. The overall mean SSA440 and SSA675 are 0.892 and 0.905, respectively. The corresponding RI440 and RI675 are 0.016 and 0.011, respectively. This indicates that a significant amount of absorption occurred under the haze event in Beijing during January 2013. Approximately half of the incident solar radiation energy went into heating the atmosphere as a result of strong aerosol loading and absorption. The daily averaged heating rate in the haze particle layer (0-3.2 km) varies from 0.12 to 0.81 K/day in Beijing, which might exert profound impact on the atmospheric thermodynamic and dynamical structures and cloud development, which should be further studied.

bejing↗

DOE OSTI2020

Observing the three-dimensional dynamics of supported metal complexes

Dynamics are intricately linked with activity and selectivity when it comes to catalysis, as noted for instance in the enzymatic principles of induced fit and allostery, and yet the range of motions heterogeneous catalytic sites are able to undergo is poorly understood. Solid-state nuclear magnetic resonance (NMR) spectroscopy is perhaps the only tool capable of probing the rapid conformational dynamics found in heterogeneous catalysts but has historically been restricted by its low sensitivity, limiting the detail with which structures can be resolved. In this work, we apply solid-state NMR and dynamic nuclear polarization, in combination with density functional theory modeling, to reveal the high-resolution structure and motional freedom of a scandium supported complex in three dimensions. The results are contrasted with the study of the analogous homoleptic complex in the crystalline state, highlighting the impacts that surface structure may have on the dynamics of supported complexes.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2015

A Modal Model to Simulate Typical Structural Dynamic Nonlinearity

Some initial investigations have been published which simulate nonlinear response with almost traditional modal models: instead of connecting the modal mass to ground through the traditional spring and damper, a nonlinear Iwan element was added. This assumes that the mode shapes do not change with amplitude and there are no interactions between modal degrees of freedom. This work expands on these previous studies. An impact experiment is performed on a structure which exhibits typical structural dynamic nonlinear response, i.e. weak frequency dependence and strong damping dependence on the amplitude of vibration. Use of low level modal test results in combination with high level impacts are processed using various combinations of modal filtering, the Hilbert Transform and band-pass filtering to develop response data that are then fit with various nonlinear elements to create a nonlinear pseudo-modal model. Simulations of forced response are compared with high level experimental data for various nonlinear element assumptions.

42 ENGINEERING↗

DOE OSTI2016

A Modal Model to Simulate Typical Structural Dynamic Nonlinearity [PowerPoint]

42 ENGINEERING↗

DOE OSTI2018

25 Mg NMR and Computational Modeling Studies of the Solvation Structures and Molecular Dynamics in Magnesium Based Liquid Electrolytes

There is increasing evidence that the solvation structure of the active components in a liquid electrolyte solution strongly impacts the performance in electrochemical applications. In this work, the nanoscale solvation structures and dynamics of Mg(BH 4 ) 2 and Mg(TFSI) 2 dissolved in diglyme (DGM) at various concentrations and ratios of Mg(BH 4 ) 2 /Mg(TFSI) 2 were investigated using a combination of natural abundance 25 Mg NMR, quantum chemistry calculations of 25 Mg NMR chemical shifts, classical molecular dynamics (MD) calculations, and electrochemical performance tests. By mixing two competing Mg salts, we were able to reduce the strong covalent interactions between Mg 2+ and BH 4 – anions. A small increase is observed in the coordination number of Mg-TFSI and a significant increase in the interaction of Mg 2+ ions with glymes. Through a combination of NMR, DFT and MD simulations, various stable species around 1 nm in size were detected in the mixed salt solution, which play key roles in the enhanced electrochemical performance of the mixed electrolyte. It is established that for the neat Mg(TFSI) 2 in DGM electrolyte at dilute concentrations the TFSI - is fully dissociated from Mg 2+ . At higher concentrations, Mg 2+ and TFSI - are only partially dissociated as contact ion pairs are formed. In contrast, at 0.01 M Mg(BH 4 ) 2 (saturated concentration) in DGM, the first solvation shell of a Mg 2+ ion contains two BH 4 - anions and one DGM molecule, while the second solvation shell consists of five to six DGM molecules. An exchange mechanism between the solvation structures in the combined electrolyte containing both Mg(BH 4 ) 2 and Mg(TFSI) 2 in DGM was found to result in the observation of a single 25 Mg NMR peak. This exchange is responsible for an increase in uncoordinated anions, as well as improved stability and ionic conductivity as compared to single anion solution. Solvent molecule rearrangement and direct Mg-ion exchange between the basic solvation structures are hypothesized as likely reasons for the exchange. We elucidate that the solvent rearrangement is energetically much more favorable than direct Mg-ion hopping and is thus suggested as the dominant exchange mechanism.

Magnesium battery, electrolytes, Mg(BH4)2, Mg(TFSI↗

DOE OSTI2014

Nonlinear electric field structures in the inner magnetosphere

Recent observations by the Van Allen Probes spacecraft have demonstrated that a variety of electric field structures and nonlinear waves frequently occur in the inner terrestrial magnetosphere, including phase space holes, kinetic field-line resonances, nonlinear whistler-mode waves, and several types of double layer. However, it is nuclear whether such structures and waves have a significant impact on the dynamics of the inner magnetosphere, including the radiation belts and ring current. To make progress toward quantifying their importance, this study statistically evaluates the correlation of such structures and waves with plasma boundaries. A strong correlation is found. These statistical results, combined with observations of electric field activity at propagating plasma boundaries, are consistent with the identification of these boundaries as the source of free energy responsible for generating the electric field structures and nonlinear waves of interest. Therefore, the ability of these structures and waves to influence plasma in the inner magnetosphere is governed by the spatial extent and dynamics of macroscopic plasma boundaries in that region.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

NASA NTRS2020

Investigation of Atmospheric Boundary-Layer Effects on Launch-Vehicle Ground Wind Loads

A launch vehicle ground-wind-loads program is underway at the NASA Langley Transonic Dynamics Tunnel. The objectives are to quantify key aerodynamic and structural characteristics that impact the occurrence of large wind-induced oscillations of a launch vehicle when exposed to ground winds prior to launch. Of particular interest is the dynamic response of a launch vehicle when a von Kármán vortex street forms in the wake of the vehicle resulting in quasiperiodic lift and drag forces. Vehicle response to these quasiperiodic forces can become quite large when the frequency of vortex shedding nears that of a lowly-damped structural mode thereby exciting a resonant response. Wind approaching the vehicle can be characterized by a varying speed with height and turbulence content. The combination of both the varying speed and turbulence content is referred to herein as the atmospheric boundary-layer. The importance of the atmospheric boundary-layer upon launch vehicle wind-induced oscillation response has long been questioned, and its effects are not well understood. Although there are several facilities around the world dedicated to replicating atmospheric boundary layers, the development of such a boundary layer in a wind tunnel capable of producing flight-representative Reynolds numbers for aeroelastically-scaled launch vehicle models has only recently been accomplished. The NASA Langley Transonic Dynamics Tunnel is capable of simulating flight-representative Reynolds numbers of launch vehicles on the pad and is uniquely capable of replicating many fluid-structure scaling parameters typical of aeroelastic tests. Recent test efforts successfully developed representative atmospheric boundary-layers for three launch sites in the Transonic Dynamics Tunnel, thereby allowing all known aerodynamic and fluid-structure coupling parameters to be simultaneously simulated for those sites. Dynamic aeroelastically-scaled models representative of typical large launch vehicles were constructed for testing. Aeroelastic scaling includes matching geometry, mode shapes, reduced frequencies, damping, running mass ratios, and running stiffness ratios. The models were tested in smooth uniform flow and then immersed in the atmospheric boundary-layer for comparison of these effects. Dynamic data were acquired measuring unsteady pressure, acceleration, and base bending moment. It was discovered that peak dynamic loads resulting from resonant wind-induced oscillation response are similar when acquired in either smooth uniform flow or an atmospheric boundary-layer. This indicates that resonant lock-in events are minimally impacted by representative turbulence and/or wind profile. Alternately, nonresonant wind-induced oscillation response events are stronger when acquired in an atmospheric boundary-layer. This indicates that a lowly-damped structural response will increase when exposed to an increased magnitude of random excitation, which is consistent with historical comparisons. Loads created by the resonant response events were substantially stronger than those from the nonresonant response events. Therefore, if testing is done to simply identify worst-case conditions and load magnitude, then smooth uniform flow is likely an adequate test technique. However, if nonresonant response loads are of primary interest, then atmospheric boundary-layer simulation is required.

Thomas G Ivanco↗

DOE OSTI2019

Multivalent Cation-Induced Actuation of DNA-Mediated Colloidal Superlattices

Nanoparticles functionalized with DNA can assemble into ordered superlattices with defined crystal habits through programmable DNA “bonds”. Here, we examine the interactions of multivalent cations with these DNA bonds as a chemical approach for actuating colloidal superlattices. Multivalent cations alter DNA structure on the molecular scale, enabling the DNA “bond length” to be reversibly altered between 17 and 3 nm, ultimately leading to changes in the overall dimensions of the micrometer-sized superlattice. The identity, charge, and concentration of the cations each control the extent of actuation, with Ni2+ capable of inducing a remarkable >65% reversible change in crystal volume. In addition, these cations can increase “bond strength”, as evidenced by superlattice thermal stability enhancements of >60 °C relative to systems without multivalent cations. Molecular dynamics simulations provide insight into the conformational changes in DNA structure as the bond length approaches 3 nm and show that cations that screen the negative charge on the DNA backbone more effectively cause greater crystal contraction. Finally, taken together, the use of multivalent cations represents a powerful strategy to alter superlattice structure and stability, which can impact diverse applications through dynamic control of material properties, including the optical, magnetic, and mechanical properties.

59 BASIC BIOLOGICAL SCIENCES↗

NASA NTRS1982

Structures and Dynamics Division research and technology plans, FY 1982

Computational devices to improve efficiency for structural calculations are assessed. The potential of large arrays of microprocessors operating in parallel for finite element analysis is defined, and the impact of specialized computer hardware on static, dynamic, thermal analysis in the optimization of structural analysis and design calculations is determined. General aviation aircraft crashworthiness and occupant survivability is also considered. Mechanics technology required for design coefficient, fault tolerant advanced composite aircraft components subject to combined loads, impact, postbuckling effects and local discontinuities are developed.

Bales, K. S.↗

DOE OSTI2014

The effect of structural changes on charge transfer states in a light-harvesting carotenoid-diaryl-porphyrin-C{sub 60} molecular triad

We present a detailed study of charge transfer (CT) excited states for a large number of configurations in a light-harvesting Carotenoid-diaryl-Porphyrin-C{sub 60} (CPC{sub 60}) molecular triad. The chain-like molecular triad undergoes photoinduced charge transfer process exhibiting a large excited state dipole moment, making it suitable for application to molecular-scale opto-electronic devices. An important consideration is that the structural flexibility of the CPC{sub 60} triad impacts its dynamics in solvents. Since experimentally measured dipole moments for the triad of ∼110 D and ∼160 D strongly indicate a range in structural variability in the excited state, studying the effect of structural changes on the CT excited state energetics furthers the understanding of its charge transfer states. We have calculated the variation in the lowest CT excited state energies by performing a scan of possible variation in the structure of the triad. Some of these configurations were generated by incrementally scanning a 360° torsional (dihedral) twist at the C{sub 60}-porhyrin linkage and the porphyrin-carotenoid linkage. Additionally, five different CPC{sub 60} conformations were studied to determine the effect of pi-conjugation and particle-hole Coulombic attraction on the CT excitation energies. Our calculations show that configurational changes in the triad induces a variation of ∼0.6 eV in CT excited state energies in the gas-phase. The corresponding calculated excited state dipoles show a range of 47 D–188 D. The absorption spectra and density of states of these structures show little variation except for the structures where the porphyrin and aryl conjugation is changed.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗