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

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At least 55 records · Page 3
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Techniques to characterize dynamics in biomaterials microenvironments: XPCS and microrheology of alginate/PEO–PPO–PEO hydrogels

Many recent studies have highlighted the timescale for stress relaxation of biomaterials on the microscale as an important factor in regulating a number of cell-material interactions, including cell spreading, proliferation, and differentiation. Relevant timescales on the order of 0.1–100 s have been suggested by several studies. While such timescales are accessible through conventional mechanical rheology, several biomaterials have heterogeneous structures, and stress relaxation mechanisms of the bulk material may not correspond to that experienced in the cellular microenvironment. Here we employ X-ray photon correlation spectroscopy (XPCS) to explore the temperature-dependent dynamics, relaxation time, and microrheology of multicomponent hydrogels comprising of commercial poly(ethylene oxide)–poly(propylene oxide)–poly(ethylene oxide) (PEO–PPO–PEO) triblock copolymer F127 and alginate. Previous studies on this system have shown thermoreversible behavior in the bulk oscillatory shear rheology. At physiological temperatures, bulk rheology of these samples shows behavior characteristic of a soft solid, with G' > G" and no crossover between G' and G" over the measurable frequency range, indicating a relaxation time >125 s. By contrast, XPCS-based microrheology shows viscoelastic behavior at low frequencies, and XPCS-derived correlation functions show relaxation times ranging from 10–45 s on smaller length scales. Finally, we are able to use XPCS to effectively probe the viscoelasticity and relaxation behavior within the material microenvironments.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Sodium dodecyl sulfate modulates the structure and rheological properties of Pluronic F108–poly(acrylic acid) coacervates)

Micelles formed within coacervate phases can impart functional properties, but it is unclear if this micellization provides mechanical reinforcement of the coacervate whereby the micelles act as high functionality crosslinkers. Here, we examine how sodium dodecyl sulfate (SDS) influences the structure and properties of Pluronic F108–polyacrylic acid (PAA) coacervates as SDS is known to decrease the aggregation number of Pluronic micelles. Increasing the SDS concentration leads to larger water content in the coacervate and an increase in the relative concentration of PAA to the other solids. Rheological characterization with small angle oscillatory shear (SAOS) demonstrates that these coacervates are viscoelastic liquids with the moduli decreasing with the addition of the SDS. The loss factor (tan δ) initially increases linearly with the addition of SDS, but a step function increase in the loss factor occurs near the reported CMC of SDS. However, this change in rheological properties does not appear to be correlated with any large scale structural differences in the coacervate as determined by small angle X-ray scattering (SAXS) with no signature of Pluronic micelles in the coacervate when SDS concentration is >4 mM during formation of the coacervate, which is less than that observed (6 mM SDS) in initial Pluronic F108 solution despite the higher polymer concentration in the coacervate. Finally, these results suggest that the mechanical properties of polyelectrolyte-non-ionic surfactant coacervates are driven by the efficicacy of binding between the complexing species driving the coacervate, which can be disrupted by competitive binding of the SDS to the Pluronic.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2020

Tuning the dynamics of imidazolium-based ionic liquids via hydrogen bonding. I. The viscous regime

Combining results from impedance spectroscopy and oscillatory shear rheology, this study focuses on the relation between the mass and charge flows and on how these are affected by the H-bonding in viscous ionic liquids (ILs). In particular, we compare the relaxational behaviors of the paradigmatic IL 1-ethyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imide (EMIM-TFSI) and its OH-functionalized counterpart 1-(2-hydroxyethyl)-3-methylimidazolium bis(trifluoromethylsulfonyl)imide (OHEMIM-TFSI). Our results and their analysis demonstrate that the presence of cationic OH-groups bears a strong impact on the overall dynamics of OHEMIM-TFSI, although no signatures of suprastructural relaxation modes could be identified in their dielectric and mechanical responses. To check whether at the origin of this strong variation is the H-bonding or merely the difference between the corresponding cation sizes (controlling both the hydrodynamic volume and the inter-charge distance), the present study includes 1-propyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imide (PMIM-TFSI), mixtures of EMIM-TFSI and PMIM-TFSI with lithium bis(trifluoromethylsulfonyl)imide (Li-TFSI), and mixtures of OHEMIM-TFSI with PMIM-TFSI. Their investigation clearly reveals that the dynamical changes induced by H-bonding are significantly larger than those that can be attributed to the change in the ion size. Moreover, in the mixtures of OHEMIM-TFSI with PMIM-TFSI, a dilution of the OH-groups leads to strong deviations from ideal mixing behavior, thus highlighting the common phenomenological ground of hydroxy-functionalized ILs and other H-bonded liquids.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

The relaxation behavior of supercooled and glassy imidacloprid

Employing dielectric spectroscopy, oscillatory shear rheology, and calorimetry, the present work explores the molecular dynamics of the widely used insecticide imidacloprid above and below its glass transition temperature. In its supercooled liquid regime, the applied techniques yield good agreement regarding the characteristic structural (alpha) relaxation times of this material. In addition, the generalized Gemant–DiMarzio–Bishop model provides a good conversion between the frequency-dependent dielectric and shear mechanical responses in its viscous state, allowing for an assessment of imidacloprid’s molecular hydrodynamic radius. In order to characterize the molecular dynamics in its glassy regime, we employ several approaches. These include the application of frequency–temperature superposition (FTS) to its isostructural dielectric and rheological responses as well as use of dielectric and calorimetric physical aging and the Adam–Gibbs–Vogel model. While the latter approach and dielectric FTS provide relaxation times that are close to each other, the other methods predict notably longer times that are closer to those reflecting a complete recovery of ergodicity. In conclusion, this seemingly conflicting dissimilarity demonstrates that the molecular dynamics of glassy imidacloprid strongly depends on its thermal history, with high relevance for the use of this insecticide as an active ingredient in technological applications.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

Egg yolk as a model for gelation: From rheometry to flow physics

Egg yolks are an excellent model for studying sol-gel transitions, particularly the power law viscoelasticity that defines the critical point of gelation. However, prior studies lack comprehensive datasets and fail to visualize flow behavior linked to temperature and time-dependent linear and nonlinear rheology. Here, we present a detailed dataset characterizing egg yolk viscoelasticity across temperature, time, and forcing amplitude using oscillatory shear, step strain, step stress, and constant high strain rate. Novel protorheology visualizations link rheological properties with observable flow behavior. Our findings highlight the nuanced determination of the critical gel point, emphasizing observation timescale dependencies. We compare methods to identify critical temperatures for gelation, including power law viscoelasticity, moduli crossover, diverging zero-shear viscosity, and emerging equilibrium elastic modulus, while visualizing flow consequences near these transitions. Egg yolk is an accessible, realistic, and nontoxic material relevant to the physicist and the chef alike, making it ideal for understanding the rheology of critical gels. By integrating protorheology photos and videos with rigorous rheometric data, we deepen the understanding of critical gels, with broader impacts for studying other materials with sol-gel transitions.

Marsh, Maxwell C. [Department of Mechanical Scienc↗
DOE OSTI2022

Coupled Dynamical Phase Transitions in Driven Disk Packings

Under the influence of oscillatory shear, a monolayer of frictional granular disks exhibits two dynamical phase transitions: a transition from an initially disordered state to an ordered crystalline state and a dynamic active-absorbing phase transition. Although there is no reason a priori for these to be at the same critical point, they are. Also, the transitions may also be characterized by the disk trajectories, which are nontrivial loops breaking time-reversal invariance.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2022

Recycling of Pretreated Polyolefin-Based Ocean-Bound Plastic Waste by Incorporating Clay and Rubber

Plastic waste found in oceans has become a major concern because of its impact on marine organisms and human health. There is significant global interest in recycling these materials, but their reclamation, sorting, cleaning, and reprocessing, along with the degradation that occurs in the natural environment, all make it difficult to achieve high quality recycled resins from ocean plastic waste. To mitigate these limitations, various additives including clay and rubber were explored. In this study, we compounded different types of ocean-bound (o-HDPE and o-PP) and virgin polymers (v-LDPE and v-PS) with various additives including a functionalized clay, styrene-multi-block-copolymer (SMB), and ethylene-propylene-based rubber (EPR). Physical observation showed that all blends containing PS were brittle due to the weak interfaces between the polyolefin regions and the PS domains within the polymer blend matrix. Blends containing clay showed rough surfaces and brittleness because of the non-uniform distribution of clay particles in the polymer matrix. To evaluate the properties and compatibility of the blends, characterizations using differential scanning calorimetry (DSC), scanning electron microscopy (SEM), and small-amplitude oscillatory shear (SAOS) rheology were carried out. The polymer blend (v-LDPE, o-HDPE, o-PP) containing EPR showed improved elasticity. Incorporating additives such as rubber could improve the mechanical properties of polymer blends for recycling purposes.

42 ENGINEERING↗
NASA NTRS1973

A general relaxation theory of simple liquids

A relatively simple relaxation theory to account for the behavior of liquids under dynamic conditions was proposed. The general dynamical equations are similar in form to the phenomenological relaxation equations used in theories of viscoelasticity, however, they differ in that all the coefficients of the present equations are expressed in terms of thermodynamic and molecular quantities. The theory is based on the concept that flow in a liquid distorts both the radial and the velocity distribution functions, and that relaxation equations describing the return of these functions to their isotropic distributions, characterizing a stationary liquid, can be written. The theory was applied to the problems of steady and oscillatory shear flows and to the propagation of longitudinal waves. In all cases classical results are predicted for strain rates, and an expression for the viscosity of a liquid, simular to the Macedo-Litovitz equation, is obtained.

Merilo, M.↗
NASA NTRS1990

Time-accurate Navier-Stokes computations of self-excited two-dimensional unsteady cavity flows

Time-accurate Navier Stokes computations were performed to study self-excited oscillatory shear layer behavior over a two-dimensional rectangular cavity and to gain insight into the vortex-acoustic coupling that sustains these oscillations. Results were obtained solving the full, unsteady compressible Navier-Stokes equations for Reynolds-averaged turbulent air flow past a cavity with L/d = 2. Conditions duplicated test conditions in experiments by Rossiter at Mach numbers varied from 0.6 to 1.2. The computational scheme was the USA 2D series code developed by Rockwell's Science Center with an algebraic turbulence model for the shear layer and recirculating region. Two physical conditions were simulated: an isolated cavity situated (1) in an infinite plane wall and (2) in an infinite channel with an opposing parallel wall. Computed results for (1) showed excellent agreement with Rossiter's measured amplitudes and frequencies. A tuned acoustic duct resonance effect was observed in (2), demonstrating a controlled change in the acoustic feedback mechanism and resultant amplification in computed oscillations.

Dougherty, N. Sam↗
NASA NTRS1996

Studies in Thermocapillary Convection of the Marangoni-Benard Type

The effects of imposed nonlinear oscillatory shear upon the onset of Marangoni-Bernard convection, as predicted by linear theory, in a layer of liquid with a deformable free surface were reported upon by Or and Kelly for small amplitude oscillations. Depending on the operating conditions, either stabilization or destabilization might occur. The aim of the current paper is to report the results for finite amplitude imposed oscillations so that the actual amount of stabilization or destabilization can be determined for prescribed operating conditions.

Kelly, Robert E.↗
NASA NTRS1996

Binary Oscillatory Crossflow Electrophoresis

We present preliminary results of our implementation of a novel electrophoresis separation technique: Binary Oscillatory Cross flow Electrophoresis (BOCE). The technique utilizes the interaction of two driving forces, an oscillatory electric field and an oscillatory shear flow, to create an active binary filter for the separation of charged species. Analytical and numerical studies have indicated that this technique is capable of separating proteins with electrophoretic mobilities differing by less than 10%. With an experimental device containing a separation chamber 20 cm long, 5 cm wide, and 1 mm thick, an order of magnitude increase in throughput over commercially available electrophoresis devices is theoretically possible.

Molloy, Richard F.↗
DOE OSTI2022

Long-Term Aging in Miscible Polymer Nanocomposites

Here we find that the initial, solvent-cast state of nanoparticles (NPs) in a polymer matrix temporally evolves during thermal annealing such that, at steady state, NPs maximize their distance from each other subject to mass balance constraints. The observed timescales for this unexpected structural reorganization, as probed by small-angle X-ray scattering, are temperature-dependent and can be prohibitively large, especially at temperatures around and below 1.2Tg. X-ray photon correlation spectroscopy measurements during reorganization reveal that the collective NP dynamics slow down with annealing at constant temperature; this is accompanied by changes in the low-frequency regime in macroscopic viscoelastic measurements in equilibrated materials. By ruling out other potential sources for these effects (i.e., electrostatic interactions, adsorbed layers), we attribute these results to a long-ranged repulsive force between the NPs caused by fluctuations in the polymer phase, i.e., the "anti-Casimir" effect proposed by Obhukhov and Semenov [Long-range interactions in polymer melts: The anti-Casimir effect. Phys Rev Lett 2005, 95 (3), 038305]. Thus, our results highlight the important role of long-term, slow NP reorganization on the structure and, subsequently, the properties of polymer nanocomposites (PNCs), even in the case of nominally miscible polymer nanoparticle hybrids.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

Stress Birth and Death: Disruptive Computational Mechanics and Novel Diagnostics for Fluid-to-Solid Transitions

Many materials of interest to Sandia transition from fluid to solid or have regions of both phases coexisting simultaneously. Currently there are, unfortunately, no material models that can accurately predict this material response. This is relevant to applications that "birth stress" related to geoscience, nuclear safety, manufacturing, energy production and bioscience. Accurately capturing solidification and residual stress enables fully predictive simulations of the evolving front shape or final product. Accurately resolving flow of proppants or blood could reduce environmental impact or lead to better treatments for heart attacks, thrombosis, or aneurism. We will address a science question in this proposal: When does residual stress develop during the critical transition from liquid to solid and how does it affect material deformation? Our hypothesis is that these early phases of stress development are critical to predictive simulation of material performance, net shape, and aging. In this project, we use advanced constitutive models with yield stress to represent both fluid and solid behavior simultaneously. The report provides an abbreviated description of the results from our LDRD "Stress Birth and Death: Disruptive Computational Mechanics and Novel Diagnostics for Fluid-to-Solid Transitions," since we have written four papers that document the work in detail and which we reference. We give highlights of the work and describe the gravitationally driven flow visualization experiment on a model yield stress fluid, Carbopol, at various concentrations and flow rates. We were able to collapse the data on a single master curve by showing it was self-similar. We also describe the Carbopol rheology and the constitutive equations of interest including the Bingham-Carreau-Yasuda model, the Saramito model, and the HB-Saramito model including parameter estimation for the shear and oscillatory rheology. We present several computational models including the 3D moving mesh simulations of both the Saramito models and Bingham-Carreau-Yasuda (BCY) model. We also show results from the BCY model using a 3D level set method and two different ways of handling reduced order Hele-Shaw modeling for generalized Newtonian fluids. We present some first ever two-dimensional results for the modified Jeffries Kamani-Donley-Rogers constitutive equation developed during this project. We include some recent results with a successful Saramito-level set coupling that allows us to tackle problems with complex geometries like mold filling in a thin gap with an obstacle, without the need for remeshing or remapping. We report on some experiments for curing systems where fluorescent particles are used to track material flow. These experiments were carried out in an oven on Sylgard 184 as a model polymerizing system. We conclude the report with a summary of accomplishments and some thoughts on follow-on work.

36 MATERIALS SCIENCE↗
NASA NTRS1984

On constitutive relations at finite strain - Hypo-elasticity and elasto-plasticity with isotropic or kinematic hardening

Nagtegaal and de Jong (1982) have studied stresses generated by simple finite shear in the case of elastic-plastic and rigid-plastic materials which exhibit anisotropic hardening. They reported that the shear stress is oscillatory in time. It was found that the occurrence of such an 'anomaly' is not restricted to anisotropic plasticity. Similar behavior in finite shear may result even in the case of hypoelasticity and classical isotropic hardening plasticity theory. The present investigation is concerned with the central problem of 'generalizing' with respect to the finite strain case, taking into account the constitutive relations of infinitesimal strain theories of classical plasticity with isotropic or kinematic hardening. The problem of hypoelasticity is also considered. It is shown that current controversies surrounding the choice of stress rate in the finite-strain generalizations of the constitutive relations and the anomalies surrounding kinematic hardening plasticity theory are easily resolvable.

Atluri, S. N.↗
NASA NTRS1983

Aeroelastic tailoring of rotor blades for vibration reduction in forward flight

Modern structural optimization techniques are applied to vibration reduction of helicopter rotor blades in forward flight. The objective function minimized consists of the oscillatory vertical hub shears or the hub rolling moments at one particular advance ratio. The behavior constraints are the frequency placements of the blade and the requirement that aeroelastic stability margins, in hover, remain unaffected by the optimization process. The aeroelastic stability and response analysis is based on a fully coupled flap-lag-torsional analysis of the blade. The vertical hub shears and rolling moments used as the objective function are obtained by appropriate integration of the loads acting along the span of the blade combined with a transformation to a hub fixed coordinate system, and a summation over the total number of blades. Numerical results for both a stiff-in-plane and a soft-in-plane configuration are presented, indicating that structural optimization yields the highest benefits when applied to soft-in-plane blade configuration. The results indicate substantial (15-40 percent) reduction in vibration levels, as well as a blade which is 20 percent lighter than the initial design.

Friedmann, P. P.↗
NASA NTRS1984

Optimum design of rotor blades for vibration reduction in forward flight

Modern structural optimization techniques are applied to vibration reduction of helicopter rotor blades in forward flight. The objective function minimized consists of the oscillatory vertical hub shears or the hub rolling moments at one particular advance ratio. The behavior constraints are the frequency placements of the blade and the requirement that aeroelastic stability margins, in hover, remain unaffected by the optimization process. The aeroelastic stability and response analysis is based on a fully coupled flap-lag-torsional analysis of the blade. Numerical results are presented for some typical soft-in-plane hingeless rotor configurations indicating a 15-40 percent reduction in vibration levels, as well as a blade which is 20 percent lighter than the initial design. These results imply that structural optimization techniques can yield substantial practical benefits in the design process of rotor systems.

Friedmann, P. P.↗
NASA NTRS1990

Flux-difference split scheme for turbulent transport equations

This paper describes a high accuracy upwind method to solve the mean compressible flow equations closed with two-equation turbulence models. A flux-difference splitting scheme is developed to compute the flowfield without introducing oscillations into the solution. A high-order accuracy scheme is used to predict both the mean flow variables and the turbulence variables. Results comparing two different two-equation turbulence models are presented for supersonic flow over a flat plate and a compressible, free shear-layer. The non-oscillatory behavior of the upwind scheme is demonstrated on the free shear-layer.

Morrison, J. H.↗
NASA NTRS1988

The effect of spatial wind gradients on airplane aerodynamics

An account is given of the results of recent studies of the effect of a spatially sheared wind field on airplane aerodynamics; the wind shear was computed by a modified vortex-lattice computer program, and characterized through the formulation of wind shear aerodynamic coefficients. The magnitude of the aerodynamic effect was demonstrated by computing the change in conventional wing/tail configuration aerodynamics for a fixed flight path through a simulated microburst. A substantial portion of the control authority of the aircraft may be required to counteract the wind shear-induced forces and moments in the microburst environment; both aperiodic and oscillatory instabilities may be generated by shear-dependent dynamic modes.

Vicroy, Dan D.↗