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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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NASA NTRS2018

Aerothermodynamics for Dragonfly's Titan Entry

Dragonfly is a proposed spacecraft and mission that would send a mobile robotic rotorcraft lander to Titan, the largest moon of Saturn, in order to study prebiotic chemistry and extraterrestrial habitability at various locations. Titan is unique in having an abundant, complex, and diverse carbon-rich chemistry on the surface of a water-ice-dominated world with an interior water ocean, making it a high priority target for astrobiology and origin of life studies. The mission was initially proposed in April 2017 to NASA's New Frontiers program by the Johns Hopkins Applied Physics Laboratory. In December 2017, it was selected as one of two finalists (out of twelve proposals) to further refine the mission's concept. NASA Ames Research Center and NASA Langley Research Center are partnering as the leads for the Dragonfly's entry system to provide the completed EDL Assembly. The aerothermal analysis for Dragonfly utilizes four simulation tools from NASA Ames Research Center. Traj for calculating the trajectory, DPLR 4.04.0 for calculating the flowfield around the vehicle and convective heating, NEQAIR V15.0 for calculating the radiative heating, and FIAT for calculating the material response and thermal protection system (TPS) sizing for the heatshield. The entry conditions are relatively benign and can readily be accommodated with a tiled PICA heatshield similar to MSL and a number of flight proven materials for the backshell. This work will demonstrate that the aerothermal entry environments can be readily solved using heritage materials and techniques.

New Frontiers↗
NASA NTRSDate not supplied

Thermal Protection Materials and Systems at NASA Ames Research Center

Thermal Protection Systems (TPS) are critical for enabling NASA missions involving high-speed atmospheric flight where the entries usually include descending into the atmosphere followed by a trajectory that aims to burn off energy and result in a controlled landing. NASA Ames focuses on qualifying and certifying TPS for current missions, sustaining TPS for future missions, and developing new TPS for upcoming missions where a heritage solution is not viable. More recently there is also a focus on advancing and transferring technologies that can benefit both commercial and government space needs. Developing mature thermal protection systems is a lengthy process involving advanced tools, extensive research, and testing. Design and analysis tools are used to predict aerothermal environments, aid the design of test and flight hardware, and support the testing for the thermal/mechanical response of thermal protection systems. More recently, advances in computational methods help reduce the time and cost of technological advances, aid in optimized material architecture design, and improve material properties and performance. While high-enthalpy testing that simulates the conditions of space flight remains essential for the evaluation and development of TPS materials, computational tools are already showing promise in reducing the need for widespread testing and can help fast-track the design cycle. With the exploration of new destinations EDL instrumentation remains an important element of the heatshield and NASA Ames and partners have developed and delivered instrumentation flight hardware in support of recent Mars missions (MSL and M2020) as well as Artemis Orion. Sensors installed on the heatshield and backshell of spacecraft provide coveted information about the aerodynamic and aerothermal environment during entry. Over the years NASA Ames has brought several reusable and ablative TPS materials to a level of readiness to hand off to missions and the branch continues to serve as a TPS steward for the agency. This presentation will cover current developments in the above areas that have enabled recent missions, and look to future TPS needs for missions such as Ice Giants.

thermal protection materials↗
NASA NTRSDate not supplied

Thermal Protection Materials and Systems at NASA Ames Research Center

Thermal Protection Systems (TPS) are critical for enabling NASA missions involving high-speed atmospheric flight where the entries usually include descending into the atmosphere followed by a trajectory that aims to burn off energy and result in a controlled landing. NASA Ames focuses on qualifying and certifying TPS for current missions, sustaining TPS for future missions, and developing new TPS for upcoming missions where a heritage solution is not viable. More recently there is also a focus on advancing and transferring technologies that can benefit both commercial and government space needs.Developing mature thermal protection systems is a lengthy process involving advanced tools, extensive research, and testing. Design and analysis tools are used to predict aerothermal environments, aid the design of test and flight hardware, and support the testing for the thermal/mechanical response of thermal protection systems. More recently, advances in computational methods help reduce the time and cost of technological advances, aid in optimized material architecture design, and improve material properties and performance. While high-enthalpy testing that simulates the conditions of space flight remains essential for the evaluation and development of TPS materials, computational tools are already showing promise in reducing the need for widespread testing and can help fast-trackthe design cycle.With the exploration of new destinations EDL instrumentation remains an important element of the heatshield and NASA Ames and partners have developed and delivered instrumentation flight hardware in support of recent Mars missions,including Mars Science Lab (MSL) and Mars 2020 (M2020),as well as Artemis Orion. Sensors installed on the heatshield and backshell of spacecraft provide coveted information about the aerodynamic and aerothermal environment during entry.Overthe years NASA Ames has brought several reusable and ablative TPS materials to a level of readiness to hand off to missions and the Thermal Protection Materials branch continues to serve as a TPS steward for the agency.

Thermal protection materials↗
NASA NTRS2001

Simulation of MEMS for the Next Generation Space Telescope

The NASA Goddard Space Flight Center (GSFC) is developing optical micro-electromechanical system (MEMS) components for potential application in Next Generation Space Telescope (NGST) science instruments. In this work, we present an overview of the electro-mechanical simulation of three MEMS components for NGST, which include a reflective micro-mirror array and transmissive microshutter array for aperture control for a near infrared (NIR) multi-object spectrometer and a large aperture MEMS Fabry-Perot tunable filter for a NIR wide field camera. In all cases the device must operate at cryogenic temperatures with low power consumption and low, complementary metal oxide semiconductor (CMOS) compatible, voltages. The goal of our simulation efforts is to adequately predict both the performance and the reliability of the devices during ground handling, launch, and operation to prevent failures late in the development process and during flight. This goal requires detailed modeling and validation of complex electro-thermal-mechanical interactions and very large non-linear deformations, often involving surface contact. Various parameters such as spatial dimensions and device response are often difficult to measure reliably at these small scales. In addition, these devices are fabricated from a wide variety of materials including surface micro-machined aluminum, reactive ion etched (RIE) silicon nitride, and deep reactive ion etched (DRIE) bulk single crystal silicon. The above broad set of conditions combine to be a formidable challenge for space flight qualification analysis. These simulations represent NASA/GSFC's first attempts at implementing a comprehensive strategy to address complex MEMS structures.

Mott, Brent↗
DOE OSTI2020

Learning to Predict Crystal Plasticity at the Nanoscale: Deep Residual Networks and Size Effects in Uniaxial Compression Discrete Dislocation Simulations

The density and configurational changes of crystal dislocations during plastic deformation influence the mechanical properties of materials. These influences have become clearest in nanoscale experiments, in terms of strength, hardness and work hardening size effects in small volumes. The mechanical characterization of a model crystal may be cast as an inverse problem of deducing the defect population characteristics (density, correlations) in small volumes from the mechanical behavior. In this work, we demonstrate how a deep residual network can be used to deduce the dislocation characteristics of a sample of interest using only its surface strain profiles at small deformations, and then statistically predict the mechanical response of size-affected samples at larger deformations. As a testbed of our approach, we utilize high-throughput discrete dislocation simulations for systems of widths that range from nano- to micro- meters. We show that the proposed deep learning model significantly outperforms a traditional machine learning model, as well as accurately produces statistical predictions of the size effects in samples of various widths. By visualizing the filters in convolutional layers and saliency maps, we find that the proposed model is able to learn the significant features of sample strain profiles.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Liquid Crystal Orientation and Shape Optimization for the Active Response of Liquid Crystal Elastomers

Liquid crystal elastomers (LCEs) are responsive materials that can undergo large reversible deformations upon exposure to external stimuli, such as electrical and thermal fields. Controlling the alignment of their liquid crystals mesogens to achieve desired shape changes unlocks a new design paradigm that is unavailable when using traditional materials. While experimental measurements can provide valuable insights into their behavior, computational analysis is essential to exploit their full potential. Accurate simulation is not, however, the end goal; rather, it is the means to achieve their optimal design. Such design optimization problems are best solved with algorithms that require gradients, i.e., sensitivities, of the cost and constraint functions with respect to the design parameters, to efficiently traverse the design space. In this work, a nonlinear LCE model and adjoint sensitivity analysis are implemented in a scalable and flexible finite element-based open source framework and integrated into a gradient-based design optimization tool. To display the versatility of the computational framework, LCE design problems that optimize both the material, i.e., liquid crystal orientation, and structural shape to reach a target actuated shapes or maximize energy absorption are solved. Multiple parameterizations, customized to address fabrication limitations, are investigated in both 2D and 3D. The case studies are followed by a discussion on the simulation and design optimization hurdles, as well as potential avenues for improving the robustness of similar computational frameworks for applications of interest.

42 ENGINEERING↗
DOE OSTI2022

Simulation of a PCM Integrated Heat Pump Using Time-of-Use Utility Structure based Control Strategy for Demand Response

To mitigate the variation in demand on the electric grid, thermal energy storage (TES) is an alternative to electric batteries and constructing new peaking power plants. The aggressive carbon reduction goals of the United States are accelerating the electrification of building equipment. If space heating and cooling in the US were electrified using conventional heat pump technologies, the winter electric grid peak would approximately double. Integrating TES with heat pump (HP) enables electrification of space cooling and heating devices without overtaxing the grid.This paper evaluates the benefits of a novel phase change material (PCM) integrated heat pump configuration via simulation. A one-dimensional PCM heat exchanger model which discretizes the PCM tank and refrigerant tubes into small control volumes is developed. Each control volume can have different PCM temperatures, PCM properties, and heat transfer coefficients. The PCM tank is charged by a wrapped tank condenser and discharged by an internal refrigerant coil. The PCM heat exchanger model is integrated into DOE/ORNL Heat Pump Design Model for heat pump system simulation.To demonstrate the performance of the PCM integrated heat pump, a case study in Chicago was performed. A Time-of-Use utility structure-based control strategy is implemented to schedule the PCM tank charging and discharging mode switching. Compared with a conventional electric heat pump, the PCM integrated heat pump shows superior performance on load shifting and utility cost reduction. As a result, the proposed system demonstrates 24.6% utility saving for cooling application and 25.8% utility saving for heating application.

Li, Zhenning↗
DOE OSTI2019

Investigation of Stress Field and Fracture Development During Shale Maturation Using Analog Rock Systems

The emergence of hydrocarbons within shale as a major recoverable resource has sparked interest in fluid transport through these tight mudstones. Recent studies suggest the importance to recovery of microfracture networks that connect localized zones with large organic content to the inorganic matrix. This paper presents a joint modeling and experimental study to examine the onset, formation, and evolution of microfracture networks as shale matures. Both the stress field and fractures are simulated and imaged. A novel laboratory-scale, phase-field fracture propagation model was developed to characterize the material failure mechanisms that play a significant role during the shale maturation process. The numerical model developed consists of coupled solid deformation, pore pressure, and fracture propagation mechanisms. Benchmark tests were conducted to validate model accuracy. Laboratory-grade gelatins with varying Young’s modulus were used as scaled-rock analogs in two dimensional Hele-Shaw cell apparatus. Yeast within the gelatin generates gas in a fashion analogous to hydrocarbon formation as shale matures. These setups allow study and visualization of host rock elastic-brittle fracture and fracture network propagation mechanisms. The experimental setup was fitted to utilize photoelasticity principles coupled with birefringence properties of gelatin to explore visually the stress field of the gelatin as the fracture network developed. Stress optics image analysis and Linear Elastic Fracture Mechanics (LEFM) principles for crack propagation were used to monitor fracture growth for each gelatin type. Observed and simulated responses suggest gas diffusion within and deformation of the gelatin matrix as predominant mechanisms for energy dissipation depending on gelatin strength. LEFM, an experimental estimation of principal stress development with fracture growth, at different stages was determined for each gelatin rheology. Here, the interplay of gas diffusion and material deformation determines the resulting frequency and pattern of fractures. Results correlate with Young’s modulus. Experimental and computed stress fields reveal that fractures resulting from internal gas generation are similar to, but not identical to, type 1 opening mode.

58 GEOSCIENCES↗
DOE OSTI2020

Experimental and numerical studies of seismic fluid-structure interaction in a base-supported cylindrical vessel

Seismic design and qualification of advanced reactors will rely heavily on the use of verified and validated numerical models capable of capturing the interaction of the vessel, its contained fluid, and the internal equipment: fluid-structure interaction (FSI) analysis. Analytical solutions can be used for preliminary sizing and design of such vessels but their application is limited to simple geometries and boundary conditions, and small amplitude, translational (and rotational) inputs. To validate numerical models for seismic FSI analysis in finite element codes, a comprehensive set of experiments was performed on a liquid-filled cylindrical vessel, using a 6 degree-of-freedom earthquake simulator. Results in terms of sloshing frequency, damping ratio in sloshing modes, and hydrodynamic responses (wave height, hydrodynamic pressure, base shear, and base moment) for multi-directional earthquake simulator inputs are reported and compared with analytical solutions for liquid-filled vessels. The impact of seismic (base) isolation on hydrodynamic responses was studied using earthquake simulator inputs generated using a virtual isolation system. Data from the experiments are used to validate a numerical model of the fluid-filled vessel using the Arbitrary Lagrangian Eulerian (ALE) solver in the commercial finite element program LS-DYNA. Validation studies are presented for multi-directional seismic inputs, including rocking motions. Lagrangian modeling approaches using an elastic material formulation for the fluid are also investigated and their limitations and possible applications are identified. Here, the results are broadly applicable to the seismic response of base supported, liquid-filled vessels.

58 GEOSCIENCES↗
DOE OSTI2018

Influence of Process-Induced Anisotropy and Synovial Environment on Wear of EBM Built Ti6Al4V Joint Implants

Additive manufacturing (AM) technology is identified as an ideal solution to overcome challenges in design and manufacturing of complex components. However, the layered fashion of AM process result in directionally solidified microstructures on the system. The anisotropic surface texture will affect wear and corrosion resistance. The current study investigates tribological responses of AM-made Ti6Al4V for joint implant applications during the combined effect from synovial lubrication and process-induced surface structure on surface fatigue damage response. Electron beam melting was used to produce Ti6Al4V specimens and mechanical characterizations were performed using nanoindentation and micro bending tests to determine their mechanical properties. A series of pin-on-disk wear tests were performed to quantify sliding contact fatigue damage in three simulated synovial fluids with variable concentrations of bovine serum albumin and hyaluronic acid in the PBS solution. Physical properties of simulated synovial fluids were measured using a nanoindenter-based technique and correlated to fatigue wear response. The lower wear rate is found in greater protein concentrations. The results presented AM build direction significantly affects sliding fatigue wear resistance on TI6Al4V surface in all synovial environments.

36 MATERIALS SCIENCE↗
NASA NTRS1998

Development of a Probabilistic Dynamic Synthesis Method for the Analysis of Nondeterministic Structures

Accounting for the statistical geometric and material variability of structures in analysis has been a topic of considerable research for the last 30 years. The determination of quantifiable measures of statistical probability of a desired response variable, such as natural frequency, maximum displacement, or stress, to replace experience-based "safety factors" has been a primary goal of these studies. There are, however, several problems associated with their satisfactory application to realistic structures, such as bladed disks in turbomachinery. These include the accurate definition of the input random variables (rv's), the large size of the finite element models frequently used to simulate these structures, which makes even a single deterministic analysis expensive, and accurate generation of the cumulative distribution function (CDF) necessary to obtain the probability of the desired response variables. The research presented here applies a methodology called probabilistic dynamic synthesis (PDS) to solve these problems. The PDS method uses dynamic characteristics of substructures measured from modal test as the input rv's, rather than "primitive" rv's such as material or geometric uncertainties. These dynamic characteristics, which are the free-free eigenvalues, eigenvectors, and residual flexibility (RF), are readily measured and for many substructures, a reasonable sample set of these measurements can be obtained. The statistics for these rv's accurately account for the entire random character of the substructure. Using the RF method of component mode synthesis, these dynamic characteristics are used to generate reduced-size sample models of the substructures, which are then coupled to form system models. These sample models are used to obtain the CDF of the response variable by either applying Monte Carlo simulation or by generating data points for use in the response surface reliability method, which can perform the probabilistic analysis with an order of magnitude less computational effort. Both free- and forced-response analyses have been performed, and the results indicate that, while there is considerable room for improvement, the method produces usable and more representative solutions for the design of realistic structures with a substantial savings in computer time.

Brown, A. M.↗
DOE OSTI2016

Organic Scintillator Detector Response Simulations with DRiFT

Here, this work presents the organic scintillation simulation capabilities of DRiFT, a post-processing Detector Response Function Toolkit for MCNPR output. DRiFT is used to create realistic scintillation detector response functions to incident neutron and gamma mixed- field radiation. As a post-processing tool, DRiFT leverages the extensively validated radiation transport capabilities of MCNPR ® 6, which also provides the ability to simulate complex sources and geometries. DRiFT is designed to be flexible, it allows the user to specify scintillator material, PMT type, applied PMT voltage, and quenching data used in simulations. The toolkit's capabilities, which include the generation of pulse shape discrimination plots and full-energy detector spectra, are demonstrated in a comparison of measured and simulated neutron contributions from 252 Cf and PuBe, and photon spectra from 22 Na and 228 Th sources. DRiFT reproduced energy resolution effects observed in EJ-301 measurements through the inclusion of scintillation yield variances, photon transport noise, and PMT photocathode and multiplication noise.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2026

Theoretical Study of High Harmonic Generation in Monolayer NbSe 2

High harmonic generation (HHG) is a powerful probe of electron dynamics on attosecond to femtosecond time scales and has been successfully used to detect electronic and structural changes in solid-state quantum materials, including transition-metal dichalcogenides (TMDs). Among TMDs, bulk NbSe 2 exhibits charge density wave (CDW) order below 33 K and becomes superconducting below 7.3 K. Monolayer NbSe 2 also has superconducting and CDW behavior and is therefore interesting as a material whose different structural and electronic properties could be probed via HHG. Here, we predict the HHG response of the pristine 2H and CDW phases of monolayer NbSe 2 using real-time time-dependent density functional theory under the application of a simulated laser pulse excitation. We find that due to the lack of inversion symmetry in both monolayer phases, it is possible to excite even harmonics and that the even harmonics appear as the transverse components of the current response under excitations polarized along the zigzag direction of the monolayer, while odd harmonics arise from the longitudinal current response in all excitation directions. This suggests that the even and odd harmonic responses can be controlled via the polarization of the probing field, opening an avenue for potentially useful applications in optoelectronic devices.

36 MATERIALS SCIENCE↗
DOE OSTI2017

Elastic-plastic deformation of molybdenum single crystals shocked along [100]

To understand the elastic-plastic deformation response of shock-compressed molybdenum (Mo) – a body-centered cubic (BCC) metal, single crystal samples were shocked along the [100] crystallographic orientation to an elastic impact stress of 12.5 GPa. Elastic-plastic wave profiles, measured at different propagation distances ranging between ~0.23 to 2.31 mm using laser interferometry, showed a time-dependent material response. Within experimental scatter, the measured elastic wave amplitudes were nearly constant over the propagation distances examined. These data point to a large and rapid elastic wave attenuation near the impact surface, before reaching a threshold value (elastic limit) of ~3.6 GPa. Numerical simulations of the measured wave profiles, performed using a dislocation-based continuum model, suggested that {110}<111> and/or {112}<111> slip systems are operative under shock loading. In contrast to shocked metal single crystals with close-packed structures, the measured wave profiles in Mo single crystals could not be explained in terms of dislocation multiplication alone. A dislocation generation mechanism, operative for shear stresses larger than that at the elastic limit, was required to model the rapid elastic wave attenuation and to provide a good overall match to the measured wave profiles. However, the physical basis for this mechanism was not established for the high-purity single crystal samples used in this study. As a result, the numerical simulations also suggested that Mo single crystals do not work harden significantly under shock loading in contrast to the behavior observed under quasi-static loading.

36 MATERIALS SCIENCE↗
NASA NTRS2018

A Common Probe Design for Multiple Planetary Destinations

Atmospheric probes have been successfully flown to planets and moons in the solar system to conduct in-situ measurements. They include the Pioneer Venus multi-probes, the Galileo Jupiter probe, and Huygens probe. Probe mission concepts to five destinations, including Venus, Jupiter, Saturn, Uranus, and Neptune, have all utilized similar-shaped aeroshells and concept of operations, namely a 45 deg sphere cone shape with high density heatshield material and parachute system for extracting the descent vehicle from the aeroshell. Each concept designed its probe to meet specific mission requirements and to optimize mass, volume, and cost. At the 2017 IPPW, NASA Headquarters postulated that a common aero-shell design could be used successfully for multiple destinations and missions. This "common probe" design could even be assembled with multiple copies, properly stored, and made available for future NASA missions, potentially realizing savings in cost and schedule and reducing the risk of losing technologies and skills difficult to sustain over decades. Thus the NASA Planetary Science Division funded a study to investigate whether a common probe design could meet most, if not all, mission needs to the five planetary destinations with extreme entry environments. The Common Probe study involved four NASA Centers and addressed these issues, including constraints and inefficiencies that occur in specifying a common design.Study methodology: First, a notional payload of instruments for each destination was defined based on priority measurements from the Planetary Science Decadal Survey. Steep and shallow entry flight path angles (EFPA) were defined for each planet based on qualification and operational g-load limits for current, state-of-the-art instruments. Interplanetary trajectories were then identified for a bounding range of EFPA. Next, 3-DoF simulations for entry trajectories were run using the entry state vectors from the interplanetary trajectories. Aeroheating correlations were used to generate stagnation point convective and radiative heat flux profiles for several aeroshell shapes and entry masses. High fidelity thermal response models for various TPS materials were used to size stagnation point thicknesses, with margins based on previous studies. Backshell TPS masses were assumed based on scaled heat fluxes from the heatshield and also from previous mission concepts.

Hwang, Helen H.↗
NASA NTRS2019

Common Probe Design Study and Follow-On Activities

The Common Probe Study was funded by the NASA's Planetary Science Division in the Science Mission Directorate in 2018 to investigate the feasibility of a common aeroshell design for atmospheric probe missions at Venus, Jupiter, Saturn, Uranus, and Neptune. The study involved 4 NASA Centers: Ames Research Center, Goddard Space Flight Center, Langley Research Center, and the Jet Propulsion Laboratory. The common aeroshell design that was studied was a 400 kg, 1.5 m diameter, 45-degree sphere cone shape with a high density heatshield material (Heatshield for Extreme Entry Environments Technology, or HEEET) and a parachute system to extract the descent vehicle. This size of aeroshell could accommodate a descent vehicle of 0.75 m diameter, which could encompass both Tier 1 and Tier 2 science instruments at each of the 5 destinations. Study methodology: First, a notional payload of instruments for each destination was defined based on the top priority measurements indicated by the Planetary Science Decadal Survey. Steep and shallow entry flight path angles (EFPA) were defined for each planet based on qualification and operational g-load limits for current, state-of-the-art instruments. Interplanetary trajectories were then identified that bounded the EFPA range.Next, 3-DoF simulations for entry trajectories were run using the entry state vectors from the interplanetary trajectories. Conical ribbon parachutes were sized based on heatshield separation dynamics. Aero-heating correlations were used to generate stagnation point convective and radiative heat flux profiles. High fidelity thermal response models for various TPS materials were used to size stagnation point thicknesses, with margins based on previous studies. Backshell TPS masses were assumed based on scaled heat fluxes from the heatshield and also from previous mission concepts.Based on these analyses, we have found that the common design is applicable for atmospheric probe missions for 4 out of the 5 destinations. Because of the unique gravity well for Jupiter, the entry environments are more severe resulting in heat loads an order of magnitude higher than for the other destinations.The next step is to determine what follow-on activities NASA should engage in. A questionnaire for the atmospheric probe community has been developed, with a focus on what size of aeroshell should be further analyzed (smaller or same diameter), and what incentives would make using such an aeroshell, if assembled and available, desirable to mission proposers.Preliminary results from this questionnaire will be presented.

Hwang, Helen H.↗
DOE OSTI2021

An LES study of secondary motion and wall shear stresses in a pipe bend

In this study, large-eddy simulations (LES) of a single-phase, turbulent flow in a 90 ° pipe bend are performed at three Reynolds numbers (5300, 27 000, and 45 000) to investigate the correlation between secondary flow motion and wall shear stresses, which is suspected to be a potential mechanism responsible for material erosion. The isothermal flows are validated against available experimental and numerical data first. The snapshot proper orthogonal decomposition (POD) is applied for the medium and high Reynolds number flows to identify the secondary flow motions and the oscillation of the Dean vortices that are found to cause swirl-switching. Distinguished frequencies of the POD time coefficients at Strouhal numbers of 0.25 and 0.28 are identified for Reynolds numbers at 27 000 and 45 000, respectively. Moreover, shear stress on the pipe wall and the associated power spectral density are obtained and shown to have the same oscillating frequency as the swirl-switching.

42 ENGINEERING↗
DOE OSTI2019

Topological Methods for Polymeric Materials: Characterizing the Relationship Between Polymer Entanglement and Viscoelasticity

We develop topological methods for characterizing the relationship between polymer chain entanglement and bulk viscoelastic responses. We introduce generalized Linking Number and Writhe characteristics that are applicable to open linear chains. We investigate the rheology of polymeric chains entangled into weaves with varying topologies and levels of chain density. To investigate viscoelastic responses, we perform non-equilibrium molecular simulations over a range of frequencies using sheared Lees–Edwards boundary conditions. We show how our topological characteristics can be used to capture key features of the polymer entanglements related to the viscoelastic responses. We find there is a linear relation over a significant range of frequencies between the mean absolute Writhe W r and the Loss Tangent tan ( δ ) . We also find an approximate inverse linear relationship between the mean absolute Periodic Linking Number L K P and the Loss Tangent tan ( δ ) . Our results show some of the ways topological methods can be used to characterize chain entanglements to better understand the origins of mechanical responses in polymeric materials.

36 MATERIALS SCIENCE↗